Science.gov

Sample records for model jedi ii

  1. Jobs and Economic Development Impacts from Small Wind: JEDI Model in the Works (Presentation)

    SciTech Connect

    Tegen, S.

    2012-06-01

    This presentation covers the National Renewable Energy Laboratory's role in economic impact analysis for wind power Jobs and Economic Development Impacts (JEDI) models, JEDI results, small wind JEDI specifics, and a request for information to complete the model.

  2. JEDI: Jobs and Economic Development Impacts Model Fact Sheet

    SciTech Connect

    S. Hendrickson; S.Tegen

    2009-12-01

    The Jobs and Economic Development Impact (JEDI) models are user-friendly tools that estimate the economic impacts of constructing and operating power generation and biofuel plants at the local(usually state) level. First developed by NREL's Wind Powering America program to model wind energy jobs and impacts, JEDI has been expanded to biofuels,concentrating solar power, coal, and natural gas power plants.

  3. JEDI Marine and Hydrokinetic Model: User Reference Guide

    SciTech Connect

    Goldberg, M.; Previsic, M.

    2011-04-01

    The Jobs and Economic Development Impact Model (JEDI) for Marine and Hydrokinetics (MHK) is a user-friendly spreadsheet-based tool designed to demonstrate the economic impacts associated with developing and operating MHK power systems in the United States. The JEDI MHK User Reference Guide was developed to assist users in using and understanding the model. This guide provides information on the model's underlying methodology, as well as the sources and parameters used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features, operation of the model, and a discussion of how the results should be interpreted.

  4. JEDI: Jobs and Economic Development Impacts Model, National Renewable Energy Laboratory (NREL) (Fact Sheet)

    SciTech Connect

    Not Available

    2009-12-01

    The Jobs and Economic Development Impact (JEDI) models are user-friendly tools that estimate the economic impacts of constructing and operating power generation and biofuel plants at the local (usually state) level. First developed by NREL's Wind Powering America program to model wind energy jobs and impacts, JEDI has been expanded to biofuels, concentrating solar power, coal, and natural gas power plants. Based on project-specific and default inputs (derived from industry norms), JEDI estimates the number of jobs and economic impacts to a local area (usually a state) that could reasonably be supported by a power generation project. For example, JEDI estimates the number of in-state construction jobs from a new wind farm. This fact sheet provides an overview of the JEDI model as it pertains to wind energy projects.

  5. JEDI: Jobs and Economic Development Impact Model; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    2015-08-01

    The Jobs and Economic Development Impact (JEDI) models are user-friendly tools that estimate the economic impacts of constructing and operating power generation and biofuel plants at the local (usually state) level. First developed by NREL’s researchers to model wind energy jobs and impacts, JEDI has been expanded to also estimate the economic impacts of biofuels, coal, conventional hydro, concentrating solar power, geothermal, marine and hydrokinetic power, natural gas, photovoltaics, and transmission lines. This fact sheet focuses on JEDI for wind energy projects.

  6. Jobs and Economic Development Impact (JEDI) Model: Offshore Wind User Reference Guide

    SciTech Connect

    Lantz, E.; Goldberg, M.; Keyser, D.

    2013-06-01

    The Offshore Wind Jobs and Economic Development Impact (JEDI) model, developed by NREL and MRG & Associates, is a spreadsheet based input-output tool. JEDI is meant to be a user friendly and transparent tool to estimate potential economic impacts supported by the development and operation of offshore wind projects. This guide describes how to use the model as well as technical information such as methodology, limitations, and data sources.

  7. Assessment of the Value, Impact, and Validity of the Jobs and Economic Development Impacts (JEDI) Suite of Models

    SciTech Connect

    Billman, L.; Keyser, D.

    2013-08-01

    The Jobs and Economic Development Impacts (JEDI) models, developed by the National Renewable Energy Laboratory (NREL) for the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE), use input-output methodology to estimate gross (not net) jobs and economic impacts of building and operating selected types of renewable electricity generation and fuel plants. This analysis provides the DOE with an assessment of the value, impact, and validity of the JEDI suite of models. While the models produce estimates of jobs, earnings, and economic output, this analysis focuses only on jobs estimates. This validation report includes an introduction to JEDI models, an analysis of the value and impact of the JEDI models, and an analysis of the validity of job estimates generated by JEDI model through comparison to other modeled estimates and comparison to empirical, observed jobs data as reported or estimated for a commercial project, a state, or a region.

  8. Transmission Line Jobs and Economic Development Impact (JEDI) Model User Reference Guide

    SciTech Connect

    Goldberg, M.; Keyser, D.

    2013-10-01

    The Jobs and Economic Development Impact (JEDI) models, developed through the National Renewable Energy Laboratory (NREL), are freely available, user-friendly tools that estimate the potential economic impacts of constructing and operating power generation projects for a range of conventional and renewable energy technologies. The Transmission Line JEDI model can be used to field questions about the economic impacts of transmission lines in a given state, region, or local community. This Transmission Line JEDI User Reference Guide was developed to provide basic instruction on operating the model and understanding the results. This guide also provides information on the model's underlying methodology, as well as the parameters and references used to develop the cost data contained in the model.

  9. Jobs and Economic Development Impact (JEDI) User Reference Guide: Fast Pyrolysis Biorefinery Model

    SciTech Connect

    Zhang, Y.; Goldberg, M.

    2015-02-01

    This guide -- the JEDI Fast Pyrolysis Biorefinery Model User Reference Guide -- was developed to assist users in operating and understanding the JEDI Fast Pyrolysis Biorefinery Model. The guide provides information on the model's underlying methodology, as well as the parameters and data sources used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features and a discussion of how the results should be interpreted. Based on project-specific inputs from the user, the JEDI Fast Pyrolysis Biorefinery Model estimates local (e.g., county- or state-level) job creation, earnings, and output from total economic activity for a given fast pyrolysis biorefinery. These estimates include the direct, indirect and induced economic impacts to the local economy associated with the construction and operation phases of biorefinery projects.Local revenue and supply chain impacts as well as induced impacts are estimated using economic multipliers derived from the IMPLAN software program. By determining the local economic impacts and job creation for a proposed biorefinery, the JEDI Fast Pyrolysis Biorefinery Model can be used to field questions about the added value biorefineries might bring to a local community.

  10. Jobs and Economic Development Impact (JEDI) Model Geothermal User Reference Guide

    SciTech Connect

    Johnson, C.; Augustine, C.; Goldberg, M.

    2012-09-01

    The Geothermal Jobs and Economic Development Impact (JEDI) model, developed through the National Renewable Energy Laboratory (NREL), is an Excel-based user-friendly tools that estimates the economic impacts of constructing and operating hydrothermal and Enhanced Geothermal System (EGS) power generation projects at the local level for a range of conventional and renewable energy technologies. The JEDI Model Geothermal User Reference Guide was developed to assist users in using and understanding the model. This guide provides information on the model's underlying methodology, as well as the parameters and references used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features, operation of the model, and a discussion of how the results should be interpreted.

  11. Petroleum Refinery Jobs and Economic Development Impact (JEDI) Model User Reference Guide

    SciTech Connect

    Goldberg, M.

    2013-12-31

    The Jobs and Economic Development Impact (JEDI) models, developed through the National Renewable Energy Laboratory (NREL), are user-friendly tools utilized to estimate the economic impacts at the local level of constructing and operating fuel and power generation projects for a range of conventional and renewable energy technologies. The JEDI Petroleum Refinery Model User Reference Guide was developed to assist users in employing and understanding the model. This guide provides information on the model's underlying methodology, as well as the parameters and references used to develop the cost data utilized in the model. This guide also provides basic instruction on model add-in features, operation of the model, and a discussion of how the results should be interpreted. Based on project-specific inputs from the user, the model estimates job creation, earning and output (total economic activity) for a given petroleum refinery. This includes the direct, indirect and induced economic impacts to the local economy associated with the refinery's construction and operation phases. Project cost and job data used in the model are derived from the most current cost estimations available. Local direct and indirect economic impacts are estimated using economic multipliers derived from IMPLAN software. By determining the regional economic impacts and job creation for a proposed refinery, the JEDI Petroleum Refinery model can be used to field questions about the added value refineries may bring to the local community.

  12. Job and Economic Development Impact (JEDI) Model: A User-Friendly Tool to Calculate Economic Impacts from Wind Projects; Preprint

    SciTech Connect

    Sinclair, K.; Milligan, M.; Goldberg, M.

    2004-03-01

    The U.S. Department of Energy/National Renewable Energy Laboratory (DOE/NREL) has developed a spreadsheet-based wind model (Jobs and Economic Development Impact (JEDI)) that incorporates economic multipliers for jobs, income, and output. Originally developed with state-specific parameters, it can also be used to conduct county and regional analyses. NREL has enlisted the Wind Powering America (WPA) State Wind Working Groups (SWWGs) to conduct county-specific economic impact analyses and has encouraged them to use JEDI if they do not have their own economic model. The objective of the analyses is to identify counties within WPA target states, and preferably counties with a significant agricultural sector, that could economically benefit from wind development. These counties could then explore opportunities to tap into the United States Department of Agriculture (USDA) Farm Bill Section 9006 grants and loans to stimulate wind development. This paper describes the JEDI model and how i t can be used. We will also summarize a series of analyses that were completed to fulfill a General Accounting Office (GAO) request to provide estimates of the economic development benefits of wind power.

  13. Quantifying the Economic Development Impacts of Wind Power in Six Rural Montana Counties Using NREL's JEDI Model; Period of Performance: December 1, 2003--May 31, 2004

    SciTech Connect

    Costanti, M.

    2004-09-01

    The economic development potential that wind power offers is often an overlooked aspect of today's wind power projects. Much has been written about how wind can spur economic development, but few have attempted to quantify these impacts. Using the National Renewable Energy Laboratory's (NREL's) Jobs, Economic Development, and Impacts Model (JEDI), the author examined six counties in Montana to quantify these impacts. The overriding project goal was to illuminate economic development opportunities from wind project development for six Montana counties using an objective economic modeling tool. Interested stakeholders include the agriculture community, wind developers, renewable energy advocates, government officials, and other decision-makers. The Model was developed to enable spreadsheet users with limited or no economic modeling background to easily identify the statewide economic impacts associated with constructing and operating wind power plants. The Model's User Add-In feature allows users to conduct county-specific analyses using county IMPLAN (Impact Analysis for PLANning) multipliers, while state-level multipliers are contained within the Model as default values for all 50 states.

  14. von Willebrand factor, Jedi knight of the bloodstream.

    PubMed

    Springer, Timothy A

    2014-08-28

    When blood vessels are cut, the forces in the bloodstream increase and change character. The dark side of these forces causes hemorrhage and death. However, von Willebrand factor (VWF), with help from our circulatory system and platelets, harnesses the same forces to form a hemostatic plug. Force and VWF function are so closely intertwined that, like members of the Jedi Order in the movie Star Wars who learn to use "the Force" to do good, VWF may be considered the Jedi knight of the bloodstream. The long length of VWF enables responsiveness to flow. The shape of VWF is predicted to alter from irregularly coiled to extended thread-like in the transition from shear to elongational flow at sites of hemostasis and thrombosis. Elongational force propagated through the length of VWF in its thread-like shape exposes its monomers for multimeric binding to platelets and subendothelium and likely also increases affinity of the A1 domain for platelets. Specialized domains concatenate and compact VWF during biosynthesis. A2 domain unfolding by hydrodynamic force enables postsecretion regulation of VWF length. Mutations in VWF in von Willebrand disease contribute to and are illuminated by VWF biology. I attempt to integrate classic studies on the physiology of hemostatic plug formation into modern molecular understanding, and point out what remains to be learned.

  15. User-Friendly Tool to Calculate Economic Impacts from Coal, Natural Gas, and Wind: The Expanded Jobs and Economic Development Impact Model (JEDI II); Preprint

    SciTech Connect

    Tegen, S.; Goldberg, M.; Milligan, M.

    2006-06-01

    In this paper we examine the impacts of building new coal, gas, or wind plants in three states: Colorado, Michigan, and Virginia. Our findings indicate that local/state economic impacts are directly related to the availability and utilization of local industries and services to build and operate the power plant. For gas and coal plants, the economic benefit depends significantly on whether the fuel is obtained from within the state, out of state, or some combination. We also find that the taxes generated by power plants can have a significant impact on local economies via increased expenditures on public goods.

  16. ExodusII Finite Element Data Model

    SciTech Connect

    2005-05-14

    EXODUS II is a model developed to store and retrieve data for finite element analyses. It is used for preprocessing (problem definition), postprocessing (results visualization), as well as code to code data transfer. An EXODUS II data file is a random access, machine independent, binary file that is written and read via C, C++, or Fortran library routines which comprise the Application Programming Interface. (exodus II is based on netcdf)

  17. Hearing on H.R. 2246, Jobs for Employable Dependent Individuals "JEDI." Hearing before the Subcommittee on Employment Opportunities of the Committee on Education and Labor. House of Representatives, One Hundredth Congress, Second Session.

    ERIC Educational Resources Information Center

    Congress of the U.S., Washington, DC. House Committee on Education and Labor.

    This hearing reviews testimony concerning H.R. 2246, the Jobs for Employable Dependent Individuals Act (JEDI). JEDI is a voluntary program whereby states receive additional funds to fight the problem of chronic welfare dependency and poverty. The bill would require the existing Job Training Partnership Act (JTPA) to target job training efforts at…

  18. EXODUS II: A finite element data model

    SciTech Connect

    Schoof, L.A.; Yarberry, V.R.

    1994-09-01

    EXODUS II is a model developed to store and retrieve data for finite element analyses. It is used for preprocessing (problem definition), postprocessing (results visualization), as well as code to code data transfer. An EXODUS II data file is a random access, machine independent, binary file that is written and read via C, C++, or Fortran library routines which comprise the Application Programming Interface (API).

  19. Inert doublet model and LEP II limits

    SciTech Connect

    Lundstroem, Erik; Gustafsson, Michael; Edsjoe, Joakim

    2009-02-01

    The inert doublet model is a minimal extension of the standard model introducing an additional SU(2) doublet with new scalar particles that could be produced at accelerators. While there exists no LEP II analysis dedicated for these inert scalars, the absence of a signal within searches for supersymmetric neutralinos can be used to constrain the inert doublet model. This translation however requires some care because of the different properties of the inert scalars and the neutralinos. We investigate what restrictions an existing DELPHI Collaboration study of neutralino pair production can put on the inert scalars and discuss the result in connection with dark matter. We find that although an important part of the inert doublet model parameter space can be excluded by the LEP II data, the lightest inert particle still constitutes a valid dark matter candidate.

  20. JEDI - an executive dashboard and decision support system for lean global military medical resource and logistics management.

    PubMed

    Sloane, Elliot B; Rosow, Eric; Adam, Joe; Shine, Dave

    2006-01-01

    Each individual U.S. Air Force, Army, and Navy Surgeon General has integrated oversight of global medical supplies and resources using the Joint Medical Asset Repository (JMAR). A Business Intelligence system called the JMAR Executive Dashboard Initiative (JEDI) was developed over a three-year period to add real-time interactive data-mining tools and executive dashboards. Medical resources can now be efficiently reallocated to military, veteran, family, or civilian purposes and inventories can be maintained at lean levels with peaks managed by interactive dashboards that reduce workload and errors.

  1. Effects of Mg II and Ca II ionization on ab-initio solar chromosphere models

    NASA Technical Reports Server (NTRS)

    Rammacher, W.; Cuntz, M.

    1991-01-01

    Acoustically heated solar chromosphere models are computed considering radiation damping by (non-LTE) emission from H(-) and by Mg II and Ca II emission lines. The radiative transfer equations for the Mg II k and Ca II K emission lines are solved using the core-saturation method with complete redistribution. The Mg II k and Ca II K cooling rates are compared with the VAL model C. Several substantial improvements over the work of Ulmschneider et al. (1987) are included. It is found that the rapid temperature rises caused by the ionization of Mg II are not formed in the middle chromosphere, but occur at larger atmospheric heights. These models represent the temperature structure of the 'real' solar chromosphere much better. This result is a major precondition for the study of ab-initio models for solar flux tubes based on MHD wave propagation and also for ab-initio models for the solar transition layer.

  2. Modeling Topaz-II system performance

    SciTech Connect

    Lee, H.H.; Klein, A.C. )

    1993-01-01

    The US acquisition of the Topaz-11 in-core thermionic space reactor test system from Russia provides a good opportunity to perform a comparison of the Russian reported data and the results from computer codes such as MCNP (Ref. 3) and TFEHX (Ref. 4). The comparison study includes both neutronic and thermionic performance analyses. The Topaz II thermionic reactor is modeled with MCNP using actual Russian dimensions and parameters. The computation of the neutronic performance considers several important aspects such as the fuel enrichment and location of the thermionic fuel elements (TFES) in the reactor core. The neutronic analysis included the calculation of both radial and axial power distribution, which are then used in the TFEHX code for electrical performance. The reactor modeled consists of 37 single-cell TFEs distributed in a 13-cm-radius zirconium hydride block surrounded by 8 cm of beryllium metal reflector. The TFEs use 90% enriched [sup 235]U and molybdenum coated with a thin layer of [sup 184]W for emitter surface. Electrons emitted are captured by a collector surface with a gap filled with cesium vapor between the collector and emitter surfaces. The collector surface is electrically insulated with alumina. Liquid NaK provides the cooling system for the TFEs. The axial thermal power distribution is obtained by dividing the TFE into 40 axial nodes. Comparison of the true axial power distribution with that produced by electrical heaters was also performed.

  3. Climate Model Datasets on Earth System Grid II (ESG II)

    DOE Data Explorer

    Earth System Grid (ESG) is a project that combines the power and capacity of supercomputers, sophisticated analysis servers, and datasets on the scale of petabytes. The goal is to provide a seamless distributed environment that allows scientists in many locations to work with large-scale data, perform climate change modeling and simulation,and share results in innovative ways. Though ESG is more about the computing environment than the data, still there are several catalogs of data available at the web site that can be browsed or search. Most of the datasets are restricted to registered users, but several are open to any access.

  4. PARALLEL MEASUREMENT AND MODELING OF TRANSPORT IN THE DARHT II BEAMLINE ON ETA II

    SciTech Connect

    Chambers, F W; Raymond, B A; Falabella, S; Lee, B S; Richardson, R A; Weir, J T; Davis, H A; Schultze, M E

    2005-05-31

    To successfully tune the DARHT II transport beamline requires the close coupling of a model of the beam transport and the measurement of the beam observables as the beam conditions and magnet settings are varied. For the ETA II experiment using the DARHT II beamline components this was achieved using the SUICIDE (Simple User Interface Connecting to an Integrated Data Environment) data analysis environment and the FITS (Fully Integrated Transport Simulation) model. The SUICIDE environment has direct access to the experimental beam transport data at acquisition and the FITS predictions of the transport for immediate comparison. The FITS model is coupled into the control system where it can read magnet current settings for real time modeling. We find this integrated coupling is essential for model verification and the successful development of a tuning aid for the efficient convergence on a useable tune. We show the real time comparisons of simulation and experiment and explore the successes and limitations of this close coupled approach.

  5. Model of the Expansion of H II Region RCW 82

    NASA Astrophysics Data System (ADS)

    Krasnobaev, K. V.; Tagirova, R. R.; Kotova, G. Yu.

    2014-05-01

    This paper aims to resolve the problem of formation of young objects observed in the RCW 82 H II region. In the framework of a classical trigger model the estimated time of fragmentation is larger than the estimated age of the H II region. Thus the young objects could not have formed during the dynamical evolution of the H II region. We propose a new model that helps resolve this problem. This model suggests that the H II region RCW 82 is embedded in a cloud of limited size that is denser than the surrounding interstellar medium. According to this model, when the ionization-shock front leaves the cloud it causes the formation of an accelerating dense gas shell. In the accelerated shell, the effects of the Rayleigh-Taylor (R-T) instability dominate and the characteristic time of the growth of perturbations with the observed magnitude of about 3 pc is 0.14 Myr, which is less than the estimated age of the H II region. The total time t ∑, which is the sum of the expansion time of the H II region to the edge of the cloud, the time of the R-T instability growth, and the free fall time, is estimated as 0.44 < t ∑ < 0.78 Myr. We conclude that the young objects in the H II region RCW 82 could be formed as a result of the R-T instability with subsequent fragmentation into large-scale condensations.

  6. Modeling the Arm II core in MicroCap IV

    SciTech Connect

    Dalton, A.C.

    1996-11-01

    This paper reports on how an electrical model for the core of the Arm II machine was created and how to use this model. We wanted to get a model for the electrical characteristics of the ARM II core, in order to simulate this machine and to assist in the design of a future machine. We wanted this model to be able to simulate saturation, variable loss, and reset. Using the Hodgdon model and the circuit analysis program MicroCap IV, this was accomplished. This paper is written in such a way as to allow someone not familiar with the project to understand it.

  7. Aqueous Solution Vessel Thermal Model Development II

    SciTech Connect

    Buechler, Cynthia Eileen

    2015-10-28

    The work presented in this report is a continuation of the work described in the May 2015 report, “Aqueous Solution Vessel Thermal Model Development”. This computational fluid dynamics (CFD) model aims to predict the temperature and bubble volume fraction in an aqueous solution of uranium. These values affect the reactivity of the fissile solution, so it is important to be able to calculate them and determine their effects on the reaction. Part A of this report describes some of the parameter comparisons performed on the CFD model using Fluent. Part B describes the coupling of the Fluent model with a Monte-Carlo N-Particle (MCNP) neutron transport model. The fuel tank geometry is the same as it was in the May 2015 report, annular with a thickness-to-height ratio of 0.16. An accelerator-driven neutron source provides the excitation for the reaction, and internal and external water cooling channels remove the heat. The model used in this work incorporates the Eulerian multiphase model with lift, wall lubrication, turbulent dispersion and turbulence interaction. The buoyancy-driven flow is modeled using the Boussinesq approximation, and the flow turbulence is determined using the k-ω Shear-Stress-Transport (SST) model. The dispersed turbulence multiphase model is employed to capture the multiphase turbulence effects.

  8. On The Modeling of Educational Systems: II

    ERIC Educational Resources Information Center

    Grauer, Robert T.

    1975-01-01

    A unified approach to model building is developed from the separate techniques of regression, simulation, and factorial design. The methodology is applied in the context of a suburban school district. (Author/LS)

  9. Nyala and Bushbuck II: A Harvesting Model.

    ERIC Educational Resources Information Center

    Fay, Temple H.; Greeff, Johanna C.

    1999-01-01

    Adds a cropping or harvesting term to the animal overpopulation model developed in Part I of this article. Investigates various harvesting strategies that might suggest a solution to the overpopulation problem without actually culling any animals. (ASK)

  10. Predictive Models and Computational Toxicology (II IBAMTOX)

    EPA Science Inventory

    EPA’s ‘virtual embryo’ project is building an integrative systems biology framework for predictive models of developmental toxicity. One schema involves a knowledge-driven adverse outcome pathway (AOP) framework utilizing information from public databases, standardized ontologies...

  11. Incentive theory: II. Models for choice.

    PubMed

    Killeen, P R

    1982-09-01

    Incentive theory is extended to account for concurrent chained schedules of reinforcement. The basic model consists of additive contributions from the primary and secondary effects of reinforcers, which serve to direct the behavior activated by reinforcement. The activation is proportional to the rate of reinforcement and interacts multiplicatively with the directive effects. The two free parameters are q, the slope of the delay of reinforcement gradient, whose value is constant across many experiments, and b, a bias parameter. The model is shown to provide an excellent description of all results from studies that have varied the terminal-link schedules, and of many of the results from studies that have varied initial-link schedules. The model is extended to diverse modifications of the terminal links, such as varied amount of reinforcement, varied signaling of the terminal-link schedules, and segmentation of the terminal-link schedules. It is demonstrated that incentive theory provides an accurate and integrated account of many of the phenomena of choice.

  12. PEP-II vacuum system pressure profile modeling using EXCEL

    SciTech Connect

    Nordby, M.; Perkins, C.

    1994-06-01

    A generic, adaptable Microsoft EXCEL program to simulate molecular flow in beam line vacuum systems is introduced. Modeling using finite-element approximation of the governing differential equation is discussed, as well as error estimation and program capabilities. The ease of use and flexibility of the spreadsheet-based program is demonstrated. PEP-II vacuum system models are reviewed and compared with analytical models.

  13. Some Hamiltonian models of friction II

    SciTech Connect

    Egli, Daniel; Gang Zhou

    2012-10-15

    In the present paper we consider the motion of a very heavy tracer particle in a medium of a very dense, non-interacting Bose gas. We prove that, in a certain mean-field limit, the tracer particle will be decelerated and come to rest somewhere in the medium. Friction is caused by emission of Cerenkov radiation of gapless modes into the gas. Mathematically, a system of semilinear integro-differential equations, introduced in Froehlich et al. ['Some hamiltonian models of friction,' J. Math. Phys. 52(8), 083508 (2011)], describing a tracer particle in a dispersive medium is investigated, and decay properties of the solution are proven. This work is an extension of Froehlich et al. ['Friction in a model of hamiltonian dynamics,' Commun. Math. Phys. 315(2), 401-444 (2012)]; it is an extension because no weak coupling limit for the interaction between tracer particle and medium is assumed. The technical methods used are dispersive estimates and a contraction principle.

  14. Multiwell experiment: reservoir modeling analysis, Volume II

    SciTech Connect

    Horton, A.I.

    1985-05-01

    This report updates an ongoing analysis by reservoir modelers at the Morgantown Energy Technology Center (METC) of well test data from the Department of Energy's Multiwell Experiment (MWX). Results of previous efforts were presented in a recent METC Technical Note (Horton 1985). Results included in this report pertain to the poststimulation well tests of Zones 3 and 4 of the Paludal Sandstone Interval and the prestimulation well tests of the Red and Yellow Zones of the Coastal Sandstone Interval. The following results were obtained by using a reservoir model and history matching procedures: (1) Post-minifracture analysis indicated that the minifracture stimulation of the Paludal Interval did not produce an induced fracture, and extreme formation damage did occur, since a 65% permeability reduction around the wellbore was estimated. The design for this minifracture was from 200 to 300 feet on each side of the wellbore; (2) Post full-scale stimulation analysis for the Paludal Interval also showed that extreme formation damage occurred during the stimulation as indicated by a 75% permeability reduction 20 feet on each side of the induced fracture. Also, an induced fracture half-length of 100 feet was determined to have occurred, as compared to a designed fracture half-length of 500 to 600 feet; and (3) Analysis of prestimulation well test data from the Coastal Interval agreed with previous well-to-well interference tests that showed extreme permeability anisotropy was not a factor for this zone. This lack of permeability anisotropy was also verified by a nitrogen injection test performed on the Coastal Red and Yellow Zones. 8 refs., 7 figs., 2 tabs.

  15. Competitive sorption of Pb(II), Cu(II) and Ni(II) on carbonaceous nanofibers: A spectroscopic and modeling approach.

    PubMed

    Ding, Congcong; Cheng, Wencai; Wang, Xiangxue; Wu, Zhen-Yu; Sun, Yubing; Chen, Changlun; Wang, Xiangke; Yu, Shu-Hong

    2016-08-01

    The competitive sorption of Pb(II), Cu(II) and Ni(II) on the uniform carbonaceous nanofibers (CNFs) was investigated in binary/ternary-metal systems. The pH-dependent sorption of Pb(II), Cu(II) and Ni(II) on CNFs was independent of ionic strength, indicating that inner-sphere surface complexation dominated sorption Pb(II), Cu(II) and Ni(II) on CNFs. The maximum sorption capacities of Pb(II), Cu(II) and Ni(II) on CNFs in single-metal systems at a pH 5.5±0.2 and 25±1°C were 3.84 (795.65mg/g), 3.21 (204.00mg/g) and 2.67 (156.70mg/g)mmol/g, respectively. In equimolar binary/ternary-metal systems, Pb(II) exhibited greater inhibition of the sorption of Cu(II) and Ni(II), demonstrating the stronger affinity of CNFs for Pb(II). The competitive sorption of heavy metals in ternary-metal systems was predicted quite well by surface complexation modeling derived from single-metal data. According to FTIR, XPS and EXAFS analyses, Pb(II), Cu(II) and Ni(II) were specifically adsorbed on CNFs via covalent bonding. These observations should provide an essential start in simultaneous removal of multiple heavy metals from aquatic environments by CNFs, and open the doorways for the application of CNFs. PMID:27108273

  16. THE HYDRODYNAMICAL MODELS OF THE COMETARY COMPACT H ii REGION

    SciTech Connect

    Zhu, Feng-Yao; Zhu, Qing-Feng; Li, Juan; Wang, Jun-Zhi; Zhang, Jiang-Shui E-mail: zhuqf@ustc.edu.cn E-mail: jzwang@shao.ac.cn

    2015-10-10

    We have developed a full numerical method to study the gas dynamics of cometary ultracompact H ii regions, and associated photodissociation regions (PDRs). The bow-shock and champagne-flow models with a 40.9/21.9 M{sub ⊙} star are simulated. In the bow-shock models, the massive star is assumed to move through dense (n = 8000 cm{sup −3}) molecular material with a stellar velocity of 15 km s{sup −1}. In the champagne-flow models, an exponential distribution of density with a scale height of 0.2 pc is assumed. The profiles of the [Ne ii] 12.81 μm and H{sub 2} S(2) lines from the ionized regions and PDRs are compared for two sets of models. In champagne-flow models, emission lines from the ionized gas clearly show the effect of acceleration along the direction toward the tail due to the density gradient. The kinematics of the molecular gas inside the dense shell are mainly due to the expansion of the H ii region. However, in bow-shock models the ionized gas mainly moves in the same direction as the stellar motion. The kinematics of the molecular gas inside the dense shell simply reflects the motion of the dense shell with respect to the star. These differences can be used to distinguish two sets of models.

  17. SDSS-II: Determination of shape and color parameter coefficients for SALT-II fit model

    SciTech Connect

    Dojcsak, L.; Marriner, J.; /Fermilab

    2010-08-01

    In this study we look at the SALT-II model of Type IA supernova analysis, which determines the distance moduli based on the known absolute standard candle magnitude of the Type IA supernovae. We take a look at the determination of the shape and color parameter coefficients, {alpha} and {beta} respectively, in the SALT-II model with the intrinsic error that is determined from the data. Using the SNANA software package provided for the analysis of Type IA supernovae, we use a standard Monte Carlo simulation to generate data with known parameters to use as a tool for analyzing the trends in the model based on certain assumptions about the intrinsic error. In order to find the best standard candle model, we try to minimize the residuals on the Hubble diagram by calculating the correct shape and color parameter coefficients. We can estimate the magnitude of the intrinsic errors required to obtain results with {chi}{sup 2}/degree of freedom = 1. We can use the simulation to estimate the amount of color smearing as indicated by the data for our model. We find that the color smearing model works as a general estimate of the color smearing, and that we are able to use the RMS distribution in the variables as one method of estimating the correct intrinsic errors needed by the data to obtain the correct results for {alpha} and {beta}. We then apply the resultant intrinsic error matrix to the real data and show our results.

  18. Modelling Ar II spectral emission from the ASTRAL helicon plasma

    NASA Astrophysics Data System (ADS)

    Munoz Burgos, Jorge; Boivin, Robert; Loch, Stuart; Kamar, Ola; Ballance, Connor; Pindzola, Mitch

    2008-11-01

    We describe our spectral modeling of ArII emission from the ASTRAL helicon plasma at Auburn University. Collisional-radiative theory is used to model the emitted spectrum, with account being taken for the density and temperature variation along the line of sight. This study has two main aims. Firstly to test the atomic data used in the model and secondly to identify spectral line ratios in the 200 nm - 1000 nm range that could be used as temperature diagnostics. Using the temperature at which Ar II emission starts to be seen we have been able to test recent ionization and recombination data. Using selected spectral lines we were then able to test the importance of the continuum-coupling effects included in the most recent Ar+ electron impact excitation data. Selected spectral line ratios have been identified that show a strong temperature variation and have potential as a temperature diagnostic.

  19. Nonlinear convective pulsation models of type II Cepheids

    NASA Astrophysics Data System (ADS)

    Smolec, Radoslaw

    2015-08-01

    We present a grid of nonlinear convective pulsation models of type-II Cepheids: BL Her stars, W Vir stars and RV Tau stars. The models cover a wide range of masses, luminosities, effective temperatures and chemical compositions. The most interesting result is detection of deterministic chaos in the models. Different routes to chaos are detected (period doubling, intermittent route) as well as variety of phenomena intrinsic to chaotic dynamics (periodic islands within chaotic bands, crisis bifurcation, type-I and type-III intermittency). Some of the phenomena (period doubling in BL Her and in RV Tau stars, irregular pulsation of RV Tau stars) are well known in the pulsation of type-II Cepheids. Prospects of discovering the other are briefly discussed. Transition from BL Her type pulsation through W Vir type till RV Tau type is analysed. In the most luminous models a dynamical instability is detected, which indicates that pulsation driven mass loss is important process occurring in type-II Cepheids.

  20. Theoretical models for Type I and Type II supernova

    SciTech Connect

    Woosley, S.E.; Weaver, T.A.

    1985-01-01

    Recent theoretical progress in understanding the origin and nature of Type I and Type II supernovae is discussed. New Type II presupernova models characterized by a variety of iron core masses at the time of collapse are presented and the sensitivity to the reaction rate /sup 12/C(..cap alpha..,..gamma..)/sup 16/O explained. Stars heavier than about 20 M/sub solar/ must explode by a ''delayed'' mechanism not directly related to the hydrodynamical core bounce and a subset is likely to leave black hole remnants. The isotopic nucleosynthesis expected from these massive stellar explosions is in striking agreement with the sun. Type I supernovae result when an accreting white dwarf undergoes a thermonuclear explosion. The critical role of the velocity of the deflagration front in determining the light curve, spectrum, and, especially, isotopic nucleosynthesis in these models is explored. 76 refs., 8 figs.

  1. Atomic Data and Spectral Model for Fe II

    NASA Astrophysics Data System (ADS)

    Bautista, Manuel A.; Fivet, Vanessa; Ballance, Connor; Quinet, Pascal; Ferland, Gary; Mendoza, Claudio; Kallman, Timothy R.

    2015-08-01

    We present extensive calculations of radiative transition rates and electron impact collision strengths for Fe ii. The data sets involve 52 levels from the 3d7, 3d64s, and 3{d}54{s}2 configurations. Computations of A-values are carried out with a combination of state-of-the-art multiconfiguration approaches, namely the relativistic Hartree–Fock, Thomas–Fermi–Dirac potential, and Dirac–Fock methods, while the R-matrix plus intermediate coupling frame transformation, Breit–Pauli R-matrix, and Dirac R-matrix packages are used to obtain collision strengths. We examine the advantages and shortcomings of each of these methods, and estimate rate uncertainties from the resulting data dispersion. We proceed to construct excitation balance spectral models, and compare the predictions from each data set with observed spectra from various astronomical objects. We are thus able to establish benchmarks in the spectral modeling of [Fe ii] emission in the IR and optical regions as well as in the UV Fe ii absorption spectra. Finally, we provide diagnostic line ratios and line emissivities for emission spectroscopy as well as column densities for absorption spectroscopy. All atomic data and models are available online and through the AtomPy atomic data curation environment.

  2. Gas dynamics modeling of the HYLIFE-II reactor

    SciTech Connect

    Jantzen, C.

    1995-08-01

    Gas dynamics in the IFE reactor, HYLIFE-II is modeled using the code, TSUNAMI. This code is a 2-D shock-solver that uses the Godunov method with operator splitting. Results from a cylindrically symmetric simulation indicate an initial, low density, burst of high energy particles enters the final focus transport lens within 40 microseconds after the blast, much faster than the proposed 1 millisecond shutter closing time. After approximately 100 microseconds the chamber debris flux levels off to one eighth its peak value and maintains this intensity until the shutter closes. Although initial protective jet ablation is considered, neither secondary radiation nor condensation are modeled. Therefore results are conservative.

  3. An integrated model of the TOPAZ-II electromagnetic pump

    SciTech Connect

    El-Genk, M.S.; Paramonov, D.V. . Inst. of Space Nuclear Power Studies)

    1994-11-01

    A detailed model of the electromagnetic pump of the TOPAZ-II space nuclear reactor power system is developed and compared with experimental data. The magnetic field strength in the pump depends not only on the current supplied by the pump thermionic fuel elements in the reactor core but also on the temperature of the coolant, the magnetic coil, and the pump structure. All electric and thermal properties of the coolant, wall material of the pump ducts, and electric leads are taken to be temperature dependent. The model predictions are in good agreement with experimental data.

  4. Photon number conserving models of H II bubbles during reionization

    NASA Astrophysics Data System (ADS)

    Paranjape, Aseem; Choudhury, T. Roy; Padmanabhan, Hamsa

    2016-08-01

    Traditional excursion-set-based models of H II bubble growth during the epoch of reionization are known to violate photon number conservation, in the sense that the mass fraction in ionized bubbles in these models does not equal the ratio of the number of ionizing photons produced by sources and the number of hydrogen atoms in the intergalactic medium. E.g. for a Planck13 cosmology with electron scattering optical depth τ ≃ 0.066, the discrepancy is ˜15 per cent for x_{H II}=0.1 and ˜5 per cent for x_{H II}=0.5. We demonstrate that this problem arises from a fundamental conceptual shortcoming of the excursion-set approach (already recognized in the literature on this formalism) which only tracks average mass fractions instead of the exact, stochastic source counts. With this insight, we build an approximately photon number conserving Monte Carlo model of bubble growth based on partitioning regions of dark matter into haloes. Our model, which is formally valid for white noise initial conditions (ICs), shows dramatic improvements in photon number conservation, as well as substantial differences in the bubble size distribution, as compared to traditional models. We explore the trends obtained on applying our algorithm to more realistic ICs, finding that these improvements are robust to changes in the ICs. Since currently popular seminumerical schemes of bubble growth also violate photon number conservation, we argue that it will be worthwhile to pursue new, explicitly photon number conserving approaches. Along the way, we clarify some misconceptions regarding this problem that have appeared in the literature.

  5. A MODEL STUDY OF TRANSVERSE MODE COUPLING INSTABILITY AT NATIONAL SYNCHROTRON LIGHT SOURCE-II (NSLS-II).

    SciTech Connect

    BLEDNYKH, A.; WANG, J.M.

    2005-05-15

    The vertical impedances of the preliminary designs of National Synchrotron Light Source II (NSLS-II) Mini Gap Undulators (MGU) are calculated by means of GdfidL code. The Transverse Mode Coupling Instability (TMCI) thresholds corresponding to these impedances are estimated using an analytically solvable model.

  6. Competitive Adsorption of Cd(II), Cr(VI), and Pb(II) onto Nanomaghemite: A Spectroscopic and Modeling Approach.

    PubMed

    Komárek, Michael; Koretsky, Carla M; Stephen, Krishna J; Alessi, Daniel S; Chrastný, Vladislav

    2015-11-01

    A combined modeling and spectroscopic approach is used to describe Cd(II), Cr(VI), and Pb(II) adsorption onto nanomaghemite and nanomaghemite coated quartz. A pseudo-second order kinetic model fitted the adsorption data well. The sorption capacity of nanomaghemite was evaluated using a Langmuir isotherm model, and a diffuse double layer surface complexation model (DLM) was developed to describe metal adsorption. Adsorption mechanisms were assessed using X-ray photoelectron spectroscopy and X-ray absorption spectroscopy. Pb(II) adsorption occurs mainly via formation of inner-sphere complexes, whereas Cr(VI) likely adsorbs mainly as outer-sphere complexes and Cd(II) as a mixture of inner- and outer-sphere complexes. The simple DLM describes well the pH-dependence of single adsorption edges. However, it fails to adequately capture metal adsorption behavior over broad ranges of ionic strength or metal-loading on the sorbents. For systems with equimolar concentrations of Pb(II), Cd(II), and Cr(VI). Pb(II) adsorption was reasonably well predicted by the DLM, but predictions were poorer for Cr(VI) and Cd(II). This study demonstrates that a simple DLM can describe well the adsorption of the studied metals in mixed sorbate-sorbent systems, but only under narrow ranges of ionic strength or metal loading. The results also highlight the sorption potential of nanomaghemite for metals in complex systems. PMID:26457556

  7. Kinetic modelling for zinc (II) ions biosorption onto Luffa cylindrica

    SciTech Connect

    Oboh, I.; Aluyor, E.; Audu, T.

    2015-03-30

    The biosorption of Zinc (II) ions onto a biomaterial - Luffa cylindrica has been studied. This biomaterial was characterized by elemental analysis, surface area, pore size distribution, scanning electron microscopy, and the biomaterial before and after sorption, was characterized by Fourier Transform Infra Red (FTIR) spectrometer. The kinetic nonlinear models fitted were Pseudo-first order, Pseudo-second order and Intra-particle diffusion. A comparison of non-linear regression method in selecting the kinetic model was made. Four error functions, namely coefficient of determination (R{sup 2}), hybrid fractional error function (HYBRID), average relative error (ARE), and sum of the errors squared (ERRSQ), were used to predict the parameters of the kinetic models. The strength of this study is that a biomaterial with wide distribution particularly in the tropical world and which occurs as waste material could be put into effective utilization as a biosorbent to address a crucial environmental problem.

  8. MESODIF-II. Variable Trajectory Plume Segment Model

    SciTech Connect

    Powell, D.C.; Hegley, H.L.; Fox, T.D.

    1986-06-01

    MESODIF-II which embodies a variable trajectory plume segment atmospheric transport model, is designed to predict normalized air concentrations and deposition of radioactive, but otherwise non-reactive, effluents released from one or two levels over the same position in an xy-plane. In such a model, calculated particle trajectories vary as synoptic scale wind varies. At all sampling times, the particles are connected to form a segmented plume centerline. The lateral and vertical dimensions of the plume are determined by a parameterization of turbulence scale diffusion. The impetus for the development of this model arose from the need of the United States Nuclear Regulatory Commission to assess radiological effects resulting from routine nuclear power reactor operations, as outlined in United States Nuclear Regulatory Guide 1.111.

  9. Modeling the World Health Organization Disability Assessment Schedule II using non-parametric item response models.

    PubMed

    Galindo-Garre, Francisca; Hidalgo, María Dolores; Guilera, Georgina; Pino, Oscar; Rojo, J Emilio; Gómez-Benito, Juana

    2015-03-01

    The World Health Organization Disability Assessment Schedule II (WHO-DAS II) is a multidimensional instrument developed for measuring disability. It comprises six domains (getting around, self-care, getting along with others, life activities and participation in society). The main purpose of this paper is the evaluation of the psychometric properties for each domain of the WHO-DAS II with parametric and non-parametric Item Response Theory (IRT) models. A secondary objective is to assess whether the WHO-DAS II items within each domain form a hierarchy of invariantly ordered severity indicators of disability. A sample of 352 patients with a schizophrenia spectrum disorder is used in this study. The 36 items WHO-DAS II was administered during the consultation. Partial Credit and Mokken scale models are used to study the psychometric properties of the questionnaire. The psychometric properties of the WHO-DAS II scale are satisfactory for all the domains. However, we identify a few items that do not discriminate satisfactorily between different levels of disability and cannot be invariantly ordered in the scale. In conclusion the WHO-DAS II can be used to assess overall disability in patients with schizophrenia, but some domains are too general to assess functionality in these patients because they contain items that are not applicable to this pathology.

  10. Modeling the World Health Organization Disability Assessment Schedule II using non-parametric item response models.

    PubMed

    Galindo-Garre, Francisca; Hidalgo, María Dolores; Guilera, Georgina; Pino, Oscar; Rojo, J Emilio; Gómez-Benito, Juana

    2015-03-01

    The World Health Organization Disability Assessment Schedule II (WHO-DAS II) is a multidimensional instrument developed for measuring disability. It comprises six domains (getting around, self-care, getting along with others, life activities and participation in society). The main purpose of this paper is the evaluation of the psychometric properties for each domain of the WHO-DAS II with parametric and non-parametric Item Response Theory (IRT) models. A secondary objective is to assess whether the WHO-DAS II items within each domain form a hierarchy of invariantly ordered severity indicators of disability. A sample of 352 patients with a schizophrenia spectrum disorder is used in this study. The 36 items WHO-DAS II was administered during the consultation. Partial Credit and Mokken scale models are used to study the psychometric properties of the questionnaire. The psychometric properties of the WHO-DAS II scale are satisfactory for all the domains. However, we identify a few items that do not discriminate satisfactorily between different levels of disability and cannot be invariantly ordered in the scale. In conclusion the WHO-DAS II can be used to assess overall disability in patients with schizophrenia, but some domains are too general to assess functionality in these patients because they contain items that are not applicable to this pathology. PMID:25524862

  11. Variables Affecting Economic Development of Wind Energy

    SciTech Connect

    Lantz, E.; Tegen, S.

    2008-07-01

    NREL's JEDI Wind model performed an analysis of wind-power-related economic development drivers. Economic development benefits for wind and coal were estimated using NREL's JEDI Wind and JEDI Coal models.

  12. Economic Development Impacts of Wind Power: A Comparative Analysis of Impacts within the Western Governors' Association States; Preprint

    SciTech Connect

    Tegen, S.; Milligan, M.; Goldberg, M.

    2007-06-01

    This paper uses NREL's newest Jobs and Economic Development Impacts (JEDI II) model to assess economic impacts from alternative power technologies, with a focus on wind energy, for a variety of states.

  13. Eagle II: A prototype for multi-resolution combat modeling

    SciTech Connect

    Powell, D.R.; Hutchinson, J.L.

    1993-02-01

    Eagle 11 is a prototype analytic model derived from the integration of the low resolution Eagle model with the high resolution SIMNET model. This integration promises a new capability to allow for a more effective examination of proposed or existing combat systems that could not be easily evaluated using either Eagle or SIMNET alone. In essence, Eagle II becomes a multi-resolution combat model in which simulated combat units can exhibit both high and low fidelity behavior at different times during model execution. This capability allows a unit to behave in a highly manner only when required, thereby reducing the overall computational and manpower requirements for a given study. In this framework, the SIMNET portion enables a highly credible assessment of the performance of individual combat systems under consideration, encompassing both engineering performance and crew capabilities. However, when the assessment being conducted goes beyond system performance and extends to questions of force structure balance and sustainment, then SISMNET results can be used to ``calibrate`` the Eagle attrition process appropriate to the study at hand. Advancing technologies, changes in the world-wide threat, requirements for flexible response, declining defense budgets, and down-sizing of military forces motivate the development of manpower-efficient, low-cost, responsive tools for combat development studies. Eagle and SIMNET both serve as credible and useful tools. The integration of these two models promises enhanced capabilities to examine the broader, deeper, more complex battlefield of the future with higher fidelity, greater responsiveness and low overall cost.

  14. Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.

    PubMed

    Kerber, William D; Goheen, Joshua T; Perez, Kaitlyn A; Siegler, Maxime A

    2016-01-19

    Heterobimetallic Mn/Fe cofactors are found in the R2 subunit of class Ic ribonucleotide reductases (R2c) and R2-like ligand binding oxidases (R2lox). Selective cofactor assembly is due at least in part to the thermodynamics of M(II) binding to the apoprotein. We report here equilibrium studies of Fe(II)/Mn(II) discrimination in the biomimetic model system H5(F-HXTA) (5-fluoro-2-hydroxy-1,3-xylene-α,α'-diamine-N,N,N',N'-tetraacetic acid). The homobimetallic F-HXTA complexes [Fe(H2O)6][1]2·14H2O and [Mn(H2O)6][2]2·14H2O (1 = [Fe(II)2(F-HXTA)(H2O)4](-); 2 = [Mn(II)2(F-HXTA)(H2O)4](-)) were characterized by single crystal X-ray diffraction. NMR data show that 1 retains its structure in solution (2 is NMR silent). Metal exchange is facile, and the heterobimetallic complex [Fe(II)Mn(II)(F-HXTA)(H2O)4](-) (3) is formed from mixtures of 1 and 2. (19)F NMR was used to quantify 1 and 3 in the presence of excess M(II)(aq) at various metal ratios, and equilibrium constants for Fe(II)/Mn(II) discrimination were calculated from these data. Fe(II) is preferred over Mn(II) with K1 = 182 ± 13 for complete replacement (2 ⇌ 1). This relatively modest preference is attributed to a hard-soft acid-base mismatch between the divalent cations and the polycarboxylate ligand. The stepwise constants for replacement are K2 = 20.1 ± 1.3 (2 ⇌ 3) and K3 = 9.1 ± 1.1 (3 ⇌ 1). K2 > K3 demonstrates enhanced stability of the heterobimetallic state beyond what is expected for simple Mn(II) → Fe(II) replacement. The relevance to Fe(II)/Mn(II) discrimination in R2c and R2lox proteins is discussed.

  15. The subthalamic nucleus part II: modelling and simulation of activity.

    PubMed

    Heida, Tjitske; Marani, Enrico; Usunoff, Kamen G

    2008-01-01

    Part I of The Subthalamic Nucleus (volume 198) (STN) accentuates the gap between experimental animal and human information concerning subthalamic development, cytology, topography and connections.The light and electron microscopical cytology focuses on the open nucleus concept and the neuronal types present in the STN. The cytochemistry encompasses enzymes, NO, glial fibrillary acidic protein (GFAP), calcium binding proteins, and receptors (dopamine, cannabinoid, opioid, glutamate, gamma-aminobutyric acid (GABA), serotonin, cholinergic, and calcium channels). The ontogeny of the subthalamic cell cord is also reviewed. The topography concerns the rat, cat, baboon and human STN. The descriptions of the connections are also given from a historical point of view. Recent tracer studies on the rat nigro-subthalamic connection revealed contralateral projections. This monograph (Part II of the two volumes) on the subthalamic nucleus (STN) starts with a systemic model of the basal ganglia to evaluate the position of the STN in the direct, indirect and hyperdirect pathways. A summary of in vitro studies is given, describing STN spontaneous activity as well as responses to depolarizing and hyperpolarizing inputs and high-frequency stimulation. STN bursting activity and the underlying ionic mechanisms are investigated. Deep brain stimulation used for symptomatic treatment of Parkinson's disease is discussed in terms of the elements that are influenced and its hypothesized mechanisms. This part of the monograph explores the pedunculopontine-subthalamic connections and summarizes attempts to mimic neurotransmitter actions of the pedunculopontine nucleus in cell cultures and high-frequency stimulation on cultured dissociated rat subthalamic neurons. STN cell models - single- and multi-compartment models and system-level models are discussed in relation to subthalamic function and dysfunction. Parts I and II are compared. PMID:18727495

  16. LHC phenomenology of SO(10) models with Yukawa unification. II.

    NASA Astrophysics Data System (ADS)

    Anandakrishnan, Archana; Bryant, B. Charles; Raby, Stuart

    2014-07-01

    In this paper we study Yukawa-unified SO(10) supersymmetric (SUSY) grand unified theories (GUTs) with two types of SO(10) boundary conditions: (i) universal gaugino masses and (ii) nonuniversal gaugino masses with effective "mirage" mediation. With these boundary conditions, we perform a global χ2 analysis to obtain the parameters consistent with 11 low energy observables, including the top, bottom, and tau masses. Both boundary conditions have universal scalar masses and "just so" splitting for the up- and down-type Higgs masses. In these models, the third family scalars are lighter than the first two families and the gauginos are lighter than all the scalars. We therefore focus on the gluino phenomenology in these models. In particular, we estimate the lowest allowed gluino mass in our models coming from the most recent LHC data and compare this to limits obtained using simplified models. We find that the lower bound on Mg ˜ in Yukawa-unified SO(10) SUSY GUTs is generically ˜1.2 TEV at the 1σ level unless there is considerable degeneracy between the gluino and the lightest supersymmetric particle, in which case the bounds are much weaker. Hence many of our benchmark points are not ruled out by the present LHC data and are still viable models which can be tested at LHC 14.

  17. Comparison with CLPX II airborne data using DMRT model

    USGS Publications Warehouse

    Xu, X.; Liang, D.; Andreadis, K.M.; Tsang, L.; Josberger, E.G.

    2009-01-01

    In this paper, we considered a physical-based model which use numerical solution of Maxwell Equations in three-dimensional simulations and apply into Dense Media Radiative Theory (DMRT). The model is validated in two specific dataset from the second Cold Land Processes Experiment (CLPX II) at Alaska and Colorado. The data were all obtain by the Ku-band (13.95GHz) observations using airborne imaging polarimetric scatterometer (POLSCAT). Snow is a densely packed media. To take into account the collective scattering and incoherent scattering, analytical Quasi-Crystalline Approximation (QCA) and Numerical Maxwell Equation Method of 3-D simulation (NMM3D) are used to calculate the extinction coefficient and phase matrix. DMRT equations were solved by iterative solution up to 2nd order for the case of small optical thickness and full multiple scattering solution by decomposing the diffuse intensities into Fourier series was used when optical thickness exceed unity. It was shown that the model predictions agree with the field experiment not only co-polarization but also cross-polarization. For Alaska region, the input snow structure data was obtain by the in situ ground observations, while for Colorado region, we combined the VIC model to get the snow profile. ??2009 IEEE.

  18. TYPE II SUPERNOVAE: MODEL LIGHT CURVES AND STANDARD CANDLE RELATIONSHIPS

    SciTech Connect

    Kasen, Daniel; Woosley, S. E.

    2009-10-01

    A survey of Type II supernovae explosion models has been carried out to determine how their light curves and spectra vary with their mass, metallicity, and explosion energy. The presupernova models are taken from a recent survey of massive stellar evolution at solar metallicity supplemented by new calculations at subsolar metallicity. Explosions are simulated by the motion of a piston near the edge of the iron core and the resulting light curves and spectra are calculated using full multi-wavelength radiation transport. Formulae are developed that describe approximately how the model observables (light curve luminosity and duration) scale with the progenitor mass, explosion energy, and radioactive nucleosynthesis. Comparison with observational data shows that the explosion energy of typical supernovae (as measured by kinetic energy at infinity) varies by nearly an order of magnitude-from 0.5 to 4.0 x 10{sup 51} ergs, with a typical value of approx0.9 x 10{sup 51} ergs. Despite the large variation, the models exhibit a tight relationship between luminosity and expansion velocity, similar to that previously employed empirically to make SNe IIP standardized candles. This relation is explained by the simple behavior of hydrogen recombination in the supernova envelope, but we find a sensitivity to progenitor metallicity and mass that could lead to systematic errors. Additional correlations between light curve luminosity, duration, and color might enable the use of SNe IIP to obtain distances accurate to approx20% using only photometric data.

  19. Photoionization models of the CALIFA H II regions. I. Hybrid models

    NASA Astrophysics Data System (ADS)

    Morisset, C.; Delgado-Inglada, G.; Sánchez, S. F.; Galbany, L.; García-Benito, R.; Husemann, B.; Marino, R. A.; Mast, D.; Roth, M. M.

    2016-10-01

    Photoionization models of H ii regions require as input a description of the ionizing spectral energy distribution (SED) and of the gas distribution, in terms of ionization parameter U and chemical abundances (e.g., O/H and N/O).A strong degeneracy exists between the hardness of the SED and U, which in turn leads to high uncertainties in the determination of the other parameters, including abundances. One way to resolve the degeneracy is to fix one of the parameters using additional information. For each of the ~20 000 sources of the CALIFA H ii regions catalog, a grid of photoionization models is computed assuming the ionizing SED to be described by the underlying stellar population obtained from spectral synthesis modeling. The ionizing SED is then defined as the sum of various stellar bursts of different ages and metallicities. This solves the degeneracy between the shape of the ionizing SED and U. The nebular metallicity (associated with O/H) is defined using the classical strong line method O3N2 (which gives our models the status of "hybrids"). The remaining free parameters are the abundance ratio N/O and the ionization parameter U, which are determined by looking for the model fitting [N ii]/Hα and [O iii]/Hβ. The models are also selected to fit [O ii]/Hβ. This process leads to a set of ~3200 models that reproduce the three observations simultaneously. We find that the regions associated with young stellar bursts (i.e., ionized by OB stars) are affected by leaking of ionizing photons,the proportion of escaping photons having a median of 80%. The set of photoionization models satisfactorily reproduces the electron temperature derived from the [O iii]λ4363/5007 line ratio. We determine new relations between the nebular parameters, like the ionization parameter U and the [O ii]/[O iii] or [S ii]/[S iii] line ratios. A new relation between N/O and O/H is obtained, mostly compatible with previous empirical determinations (and not with previous results obtained

  20. Branch Flow Model: Relaxations and Convexification-Part II

    SciTech Connect

    Farivar, M; Low, SH

    2013-08-01

    We propose a branch flow model for the analysis and optimization of mesh as well as radial networks. The model leads to a new approach to solving optimal power flow (OPF) that consists of two relaxation steps. The first step eliminates the voltage and current angles and the second step approximates the resulting problem by a conic program that can be solved efficiently. For radial networks, we prove that both relaxation steps are always exact, provided there are no upper bounds on loads. For mesh networks, the conic relaxation is always exact but the angle relaxation may not be exact, and we provide a simple way to determine if a relaxed solution is globally optimal. We propose convexification of mesh networks using phase shifters so that OPF for the convexified network can always be solved efficiently for an optimal solution. We prove that convexification requires phase shifters only outside a spanning tree of the network and their placement depends only on network topology, not on power flows, generation, loads, or operating constraints. Part I introduces our branch flow model, explains the two relaxation steps, and proves the conditions for exact relaxation. Part II describes convexification of mesh networks, and presents simulation results.

  1. Model selection as a science driver for dark energy surveys

    NASA Astrophysics Data System (ADS)

    Mukherjee, Pia; Parkinson, David; Corasaniti, Pier Stefano; Liddle, Andrew R.; Kunz, Martin

    2006-07-01

    A key science goal of upcoming dark energy surveys is to seek time-evolution of the dark energy. This problem is one of model selection, where the aim is to differentiate between cosmological models with different numbers of parameters. However, the power of these surveys is traditionally assessed by estimating their ability to constrain parameters, which is a different statistical problem. In this paper, we use Bayesian model selection techniques, specifically forecasting of the Bayes factors, to compare the abilities of different proposed surveys in discovering dark energy evolution. We consider six experiments - supernova luminosity measurements by the Supernova Legacy Survey, SNAP, JEDI and ALPACA, and baryon acoustic oscillation measurements by WFMOS and JEDI - and use Bayes factor plots to compare their statistical constraining power. The concept of Bayes factor forecasting has much broader applicability than dark energy surveys.

  2. Higgs potential in the type II seesaw model

    SciTech Connect

    Arhrib, A.; Benbrik, R.; Chabab, M.; Rahili, L.; Ramadan, J.; Moultaka, G.; Peyranere, M. C.

    2011-11-01

    The standard model Higgs sector, extended by one weak gauge triplet of scalar fields with a very small vacuum expectation value, is a very promising setting to account for neutrino masses through the so-called type II seesaw mechanism. In this paper we consider the general renormalizable doublet/triplet Higgs potential of this model. We perform a detailed study of its main dynamical features that depend on five dimensionless couplings and two mass parameters after spontaneous symmetry breaking, and highlight the implications for the Higgs phenomenology. In particular, we determine (i) the complete set of tree-level unitarity constraints on the couplings of the potential and (ii) the exact tree-level boundedness from below constraints on these couplings, valid for all directions. When combined, these constraints delineate precisely the theoretically allowed parameter space domain within our perturbative approximation. Among the seven physical Higgs states of this model, the mass of the lighter (heavier) CP{sub even} state h{sup 0} (H{sup 0}) will always satisfy a theoretical upper (lower) bound that is reached for a critical value {mu}{sub c} of {mu} (the mass parameter controlling triple couplings among the doublet/triplet Higgses). Saturating the unitarity bounds, we find an upper bound m{sub h}{sup 0} or approx. {mu}{sub c} and {mu} < or approx. {mu}{sub c}. In the first regime the Higgs sector is typically very heavy, and only h{sup 0} that becomes SM-like could be accessible to the LHC. In contrast, in the second regime, somewhat overlooked in the literature, most of the Higgs sector is light. In particular, the heaviest state H{sup 0} becomes SM-like, the lighter states being the CP{sub odd} Higgs, the (doubly) charged Higgses, and a decoupled h{sup 0}, possibly

  3. Multiscale model of light harvesting by photosystem II in plants.

    PubMed

    Amarnath, Kapil; Bennett, Doran I G; Schneider, Anna R; Fleming, Graham R

    2016-02-01

    The first step of photosynthesis in plants is the absorption of sunlight by pigments in the antenna complexes of photosystem II (PSII), followed by transfer of the nascent excitation energy to the reaction centers, where long-term storage as chemical energy is initiated. Quantum mechanical mechanisms must be invoked to explain the transport of excitation within individual antenna. However, it is unclear how these mechanisms influence transfer across assemblies of antenna and thus the photochemical yield at reaction centers in the functional thylakoid membrane. Here, we model light harvesting at the several-hundred-nanometer scale of the PSII membrane, while preserving the dominant quantum effects previously observed in individual complexes. We show that excitation moves diffusively through the antenna with a diffusion length of 50 nm until it reaches a reaction center, where charge separation serves as an energetic trap. The diffusion length is a single parameter that incorporates the enhancing effect of excited state delocalization on individual rates of energy transfer as well as the complex kinetics that arise due to energy transfer and loss by decay to the ground state. The diffusion length determines PSII's high quantum efficiency in ideal conditions, as well as how it is altered by the membrane morphology and the closure of reaction centers. We anticipate that the model will be useful in resolving the nonphotochemical quenching mechanisms that PSII employs in conditions of high light stress.

  4. Multiscale model of light harvesting by photosystem II in plants

    PubMed Central

    Amarnath, Kapil; Bennett, Doran I. G.; Schneider, Anna R.; Fleming, Graham R.

    2016-01-01

    The first step of photosynthesis in plants is the absorption of sunlight by pigments in the antenna complexes of photosystem II (PSII), followed by transfer of the nascent excitation energy to the reaction centers, where long-term storage as chemical energy is initiated. Quantum mechanical mechanisms must be invoked to explain the transport of excitation within individual antenna. However, it is unclear how these mechanisms influence transfer across assemblies of antenna and thus the photochemical yield at reaction centers in the functional thylakoid membrane. Here, we model light harvesting at the several-hundred-nanometer scale of the PSII membrane, while preserving the dominant quantum effects previously observed in individual complexes. We show that excitation moves diffusively through the antenna with a diffusion length of 50 nm until it reaches a reaction center, where charge separation serves as an energetic trap. The diffusion length is a single parameter that incorporates the enhancing effect of excited state delocalization on individual rates of energy transfer as well as the complex kinetics that arise due to energy transfer and loss by decay to the ground state. The diffusion length determines PSII’s high quantum efficiency in ideal conditions, as well as how it is altered by the membrane morphology and the closure of reaction centers. We anticipate that the model will be useful in resolving the nonphotochemical quenching mechanisms that PSII employs in conditions of high light stress. PMID:26787911

  5. Modeling of fluidized-bed combustion of coal: Phase II, final reports. Volume II. Detailed description of the model

    SciTech Connect

    Louis, J.F.; Tung, S.E.

    1980-10-01

    This document is the second of a seven volume series of our Phase II Final Report. This volume deals with detailed descriptions of the structure of each program member (subroutines and functions), the interrelation between the members of a submodel, and the interrelation between the various submodels as such. The systems model for fluidized bed combustors (FBC-II) consists of a systematic combination of the following interrelated areas: fluid mechanics and bubble growth, char combustion and associated kinetics for particle burnout, sulfur capture, NO/sub x/ formation and reduction, freeboard reactions, and heat transfer. Program outline is shown in Figure 1.1. Input variables (supplied by the user are inspected to check that they lie inside the allowed range of values and are input to the various routines as needed. The necessary physical and fluid mechanical properties are calculated and utilized in estimating char combustion and sulfur capture in the bed and the freeboard. NO/sub x/ and CO emissions are estimated by taking into account all relevant chemical reactions. A material and energy balance is made over the bed. Figure 1.1 shows a block diagram of the systems program. In this diagram, the overall structure of the FBC program is illustrated in terms of the various submodels that together constitute the systems program. A more detailed outline of the systems program is shown in Figure 1.2. In this figure, all important subroutine members of the FBC program are shown, and their linkage to each other, as well as to the main program is indicated. A description of the exact sequence in which these various routines are called at time of program execution is provided in Chapter 8 under the executive routine MAIN.

  6. Learning Objects, Type II Applications, and Embedded Pedagogical Models

    ERIC Educational Resources Information Center

    Gadanidis, George; Schindler, Karen

    2006-01-01

    In this paper we consider the extent to which learning objects that focus on higher level thinking might be seen as Type II applications, as defined by Maddux, Johnson, and Willis (2001). We conclude that learning objects are at best hybrid applications, with some Type I and some Type II characteristics. We also consider whether the educational…

  7. Mono-component versus binary isotherm models for Cu(II) and Pb(II) sorption from binary metal solution by the green alga Pithophora oedogonia.

    PubMed

    Kumar, Dhananjay; Singh, Alpana; Gaur, J P

    2008-11-01

    The sorption of Cu(II) and Pb(II) by Pithophora markedly decreased as the concentration of the secondary metal ion, Cu(II) or Pb(II), increased in the binary metal solution. However, the test alga showed a greater affinity to sorb Cu(II) than Pb(II) from the binary metal solution. Mono-component Freundlich, Langmuir, Redlich-Peterson and Sips isotherms successfully predicted the sorption of Cu(II) and Pb(II) from both single and binary metal solutions. None of the tested binary sorption isotherms could realistically predict Cu(II) and Pb(II) sorption capacity and affinity of the test alga for the binary metal solutions of varying composition, which mono-component isotherms could very well accomplish. Hence, mono-component isotherm modeling at different concentrations of the secondary metal ion seems to be a better option than binary isotherms for metal sorption from binary metal solution.

  8. Longitudinal Stability of the Beck Depression Inventory II: A Latent Trait-State-Occasion Model

    ERIC Educational Resources Information Center

    Wu, Pei-Chen

    2016-01-01

    In a six-wave longitudinal study with two cohorts (660 adolescents and 630 young adults), this study investigated the longitudinal stability of the Beck Depression Inventory II (BDI-II) using the Trait-State-Occasion (TSO) model. The results revealed that the full TSO model was the best fitting representation of the depression measured by the…

  9. Modeling of adsorption and ultrasonic desorption of cadmium(II) and zinc(II) on local bentonite.

    PubMed

    Lacin, Oral; Bayrak, Bahar; Korkut, Ozlem; Sayan, Enes

    2005-12-15

    The adsorption and ultrasonic desorption of toxic heavy metal cations (i.e., Cd(II) and Zn(II)) on natural bentonite have been modeled with the aid of a factorial design approach. The ability of untreated bentonite to remove Cd(II) and Zn(II) from aqueous and acidic solutions at different pH values has been studied for different metal concentrations by varying the amount of adsorbent, temperature, stirring speed, and contact time. The same factors, except stirring speed and metal concentration, were applied in desorption study. Ultrasound power was used for desorption instead of stirring speed. A flame atomic absorption spectrometer was used to measure the cadmium and zinc concentration before and after both experimental study. The highest adsorption for Zn and Cd was 99.85 and 96.84%, respectively, and the highest desorption for Zn and Cd obtained was 66.57 and 51.37%, respectively. It is believed that the models obtained for adsorption and desorption may provide a background for detailed mechanism searches and pilot and industrial scale applications. PMID:16051257

  10. Molecular Models of Ruthenium(II) Organometallic Complexes

    ERIC Educational Resources Information Center

    Coleman, William F.

    2007-01-01

    This article presents the featured molecules for the month of March, which appear in the paper by Ozerov, Fafard, and Hoffman, and which are related to the study of the reactions of a number of "piano stool" complexes of ruthenium(II). The synthesis of compound 2a offers students an alternative to the preparation of ferrocene if they are only…

  11. Computational evaluation of unsaturated carbonitriles as neutral receptor model for beryllium(II) recognition.

    PubMed

    Rosli, Ahmad Nazmi; Ahmad, Mohd Rais; Alias, Yatimah; Zain, Sharifuddin Md; Lee, Vannajan Sanghiran; Woi, Pei Meng

    2014-12-01

    Design of neutral receptor molecules (ionophores) for beryllium(II) using unsaturated carbonitrile models has been carried out via density functional theory, G3, and G4 calculations. The first part of this work focuses on gas phase binding energies between beryllium(II) and 2-cyano butadiene (2-CN BD), 3-cyano propene (3-CN P), and simpler models with two separate fragments; acrylonitrile and ethylene. Interactions between beryllium(II) and cyano nitrogen and terminal olefin in the models have been examined in terms of geometrical changes, distribution of charge over the entire π-system, and rehybridization of vinyl carbon orbitals. NMR shieldings and vibrational frequencies probed charge centers and strength of interactions. The six-membered cyclic complexes have planar structures with the rehybridized carbon slightly out of plane (16° in 2-CN BD). G3 results show that in 2-CN BD complex participation of vinyl carbon further stabilizes the cyclic adduct by 16.3 kcal mol(-1), whereas, in simpler models, interaction between beryllium(II) and acetonitrile is favorable by 46.4 kcal mol(-1) compared with that of ethylene. The terminal vinyl carbon in 2-CN BD rehybridizes to sp (3) with an increase of 7 % of s character to allow interaction with beryllium(II). G4 calculations show that the Be(II) and 2-CN BD complex is more strongly bound than those with Mg(II) and Ca(II) by 98.5 and 139.2 kcal mol(-1) (-1), respectively. QST2 method shows that the cyclic and acyclic forms of Be(II)-2-CN BD complexes are separated by 12.3 kcal mol(-1) barrier height. Overlap population analysis reveals that Ca(II) can be discriminated based on its tendency to form ionic interaction with the receptor models.

  12. NSLS-II: Nonlinear Model Calibration for Synchrotrons

    SciTech Connect

    Bengtsson, J.

    2010-10-08

    This tech note is essentially a summary of a lecture we delivered to the Acc. Phys. Journal Club Apr, 2010. However, since the estimated accuracy of these methods has been naive and misleading in the field of particle accelerators, i.e., ignores the impact of noise, we will elaborate on this in some detail. A prerequisite for a calibration of the nonlinear Hamiltonian is that the quadratic part has been understood, i.e., that the linear optics for the real accelerator has been calibrated. For synchrotron light source operations, this problem has been solved by the interactive LOCO technique/tool (Linear Optics from Closed Orbits). Before that, in the context of hadron accelerators, it has been done by signal processing of turn-by-turn BPM data. We have outlined how to make a basic calibration of the nonlinear model for synchrotrons. In particular, we have shown how this was done for LEAR, CERN (antiprotons) in the mid-80s. Specifically, our accuracy for frequency estimation was {approx} 1 x 10{sup -5} for 1024 turns (to calibrate the linear optics) and {approx} 1 x 10{sup -4} for 256 turns for tune footprint and betatron spectrum. For a comparison, the estimated tune footprint for stable beam for NSLS-II is {approx}0.1. Since the transverse damping time is {approx}20 msec, i.e., {approx}4,000 turns. There is no fundamental difference for: antiprotons, protons, and electrons in this case. Because the estimated accuracy for these methods in the field of particle accelerators has been naive, i.e., ignoring the impact of noise, we have also derived explicit formula, from first principles, for a quantitative statement. For e.g. N = 256 and 5% noise we obtain {delta}{nu} {approx} 1 x 10{sup -5}. A comparison with the state-of-the-arts in e.g. telecomm and electrical engineering since the 60s is quite revealing. For example, Kalman filter (1960), crucial for the: Ranger, Mariner, and Apollo (including the Lunar Module) missions during the 60s. Or Claude Shannon et al

  13. Analysis of the photosystem II by modelling the fluorescence yield transients during 10 seconds after a 10 ns pulse

    NASA Astrophysics Data System (ADS)

    Belyaeva, Natalya E.; Schmitt, Franz-Josef; Paschenko, Vladimir Z.; Riznichenko, Galina Yu.; Rubin, Andrew B.

    2014-10-01

    The dynamics of the photosystem II (PS II) redox states is imitated over nine orders of magnitude in time. Our simulations focus on the information of the chlorophyll a fluorescence induced by a 10 ns laser flash. The PS II model analyzes differences in the PS II reaction between leaves (A. Thaliana, spinach) and thermophilic Chlorella cells.

  14. Student Instructor Load Model-Phase II (SIL-II). Summary Description.

    ERIC Educational Resources Information Center

    Bowen, Brent L.; And Others

    The report describes the Army Individual Training Establishment and the model designed to simulate the training given by the 11 Army Training Centers and by the 54 Army Service Schools in terms of students/trainees and the instructor/trainer and overhead staffing and costs required to support the training requirements. The model accepts…

  15. Alternative Models of Service, Centralized Machine Operations. Phase II Report. Volume II.

    ERIC Educational Resources Information Center

    Technology Management Corp., Alexandria, VA.

    A study was conducted to determine if the centralization of playback machine operations for the national free library program would be feasible, economical, and desirable. An alternative model of playback machine services was constructed and compared with existing network operations considering both cost and service. The alternative model was…

  16. A model for the separation of cloud and aerosol in SAGE II occultation data

    NASA Technical Reports Server (NTRS)

    Kent, G. S.; Winker, D. M.; Osborn, M. T.; Skeens, K. M.

    1993-01-01

    The Stratospheric Aerosol and Gas Experiment (SAGE) II satellite experiment measures the extinction due to aerosols and thin cloud, at wavelengths of 0.525 and 1.02 micrometers, down to an altitude of 6 km. The wavelength dependence of the extinction due to aerosols differs from that of the extinction due to cloud and is used as the basis of a model for separating these two components. The model is presented and its validation using airborne lidar data, obtained coincident with SAGE II observations, is described. This comparison shows that smaller SAGE II cloud extinction values correspond to the presence of subvisible cirrus cloud in the lidar record. Examples of aerosol and cloud data products obtained using this model to interpret SAGE II upper tropospheric and lower stratospheric data are also shown.

  17. Available for the Apple II: FIRM: Florida InteRactive Modeler.

    ERIC Educational Resources Information Center

    Levy, C. Michael; And Others

    1983-01-01

    The Apple II microcomputer program described allows instructors with minimal programing experience to construct computer models of psychological phenomena for students to investigate. Use of these models eliminates need to maintain/house/breed animals or purchase sophisticated laboratory equipment. Several content models are also described,…

  18. Pharmacophore modeling studies of type I and type II kinase inhibitors of Tie2.

    PubMed

    Xie, Qing-Qing; Xie, Huan-Zhang; Ren, Ji-Xia; Li, Lin-Li; Yang, Sheng-Yong

    2009-02-01

    In this study, chemical feature based pharmacophore models of type I and type II kinase inhibitors of Tie2 have been developed with the aid of HipHop and HypoRefine modules within Catalyst program package. The best HipHop pharmacophore model Hypo1_I for type I kinase inhibitors contains one hydrogen-bond acceptor, one hydrogen-bond donor, one general hydrophobic, one hydrophobic aromatic, and one ring aromatic feature. And the best HypoRefine model Hypo1_II for type II kinase inhibitors, which was characterized by the best correlation coefficient (0.976032) and the lowest RMSD (0.74204), consists of two hydrogen-bond donors, one hydrophobic aromatic, and two general hydrophobic features, as well as two excluded volumes. These pharmacophore models have been validated by using either or both test set and cross validation methods, which shows that both the Hypo1_I and Hypo1_II have a good predictive ability. The space arrangements of the pharmacophore features in Hypo1_II are consistent with the locations of the three portions making up a typical type II kinase inhibitor, namely, the portion occupying the ATP binding region (ATP-binding-region portion, AP), that occupying the hydrophobic region (hydrophobic-region portion, HP), and that linking AP and HP (bridge portion, BP). Our study also reveals that the ATP-binding-region portion of the type II kinase inhibitors plays an important role to the bioactivity of the type II kinase inhibitors. Structural modifications on this portion should be helpful to further improve the inhibitory potency of type II kinase inhibitors. PMID:19138543

  19. Pharmacophore modeling studies of type I and type II kinase inhibitors of Tie2.

    PubMed

    Xie, Qing-Qing; Xie, Huan-Zhang; Ren, Ji-Xia; Li, Lin-Li; Yang, Sheng-Yong

    2009-02-01

    In this study, chemical feature based pharmacophore models of type I and type II kinase inhibitors of Tie2 have been developed with the aid of HipHop and HypoRefine modules within Catalyst program package. The best HipHop pharmacophore model Hypo1_I for type I kinase inhibitors contains one hydrogen-bond acceptor, one hydrogen-bond donor, one general hydrophobic, one hydrophobic aromatic, and one ring aromatic feature. And the best HypoRefine model Hypo1_II for type II kinase inhibitors, which was characterized by the best correlation coefficient (0.976032) and the lowest RMSD (0.74204), consists of two hydrogen-bond donors, one hydrophobic aromatic, and two general hydrophobic features, as well as two excluded volumes. These pharmacophore models have been validated by using either or both test set and cross validation methods, which shows that both the Hypo1_I and Hypo1_II have a good predictive ability. The space arrangements of the pharmacophore features in Hypo1_II are consistent with the locations of the three portions making up a typical type II kinase inhibitor, namely, the portion occupying the ATP binding region (ATP-binding-region portion, AP), that occupying the hydrophobic region (hydrophobic-region portion, HP), and that linking AP and HP (bridge portion, BP). Our study also reveals that the ATP-binding-region portion of the type II kinase inhibitors plays an important role to the bioactivity of the type II kinase inhibitors. Structural modifications on this portion should be helpful to further improve the inhibitory potency of type II kinase inhibitors.

  20. Efficient three-dimensional global models for climate studies: models I and II

    SciTech Connect

    Hansen, J.; Russell, G.; Rind, D.; Stone, P.; Lacis, A.; Lebedeff, S.; Ruedy, R.; Travis, L.

    1983-04-01

    A global atmospheric model is developed with a computational efficiency which allows long-range climate experiments. The model solves the simultaneous equations for conservation of mass, energy and momentum, and the equation of state on a grid. Differencing schemes for the dynamics are based on work of Arakawa. Cloud cover and vertical distribution are computed. Convection mixes moisture, heat and momentum, with buoyant air allowed to penetrate to a height determined by its buoyancy. Ground temperature calculations include diurnal variation and seasonal heat storage. Ground hydrology incorporates a water-holding capacity appropriate for the root zone of local vegetation. Snow depth is computed. Snow albedo includes effects of snow age and masking by vegetation. Surface fluxes are obtained from a drag-law formulation and parameterization of the Monin-Obukhov similarity relations. The initial Model I is used for 60 climate sensitivity experiments with integration times from 3 months to 5 years. These experiments determine the dependence of model simulation on various physical assumptions and model parameters. Several modifications are incorporated to produce Model II, the greatest changes arising from more realistic parameterization of the effect of boundary layer stratification on surface fluxes and the addition of friction in the top stratospheric layer to minimize effects of wave reflection from the rigid model top. The model's climate simulations are compared to observations and a brief study is made of effects of horizontal resolution. It is verified that the major features of global climate can be realistically simulated with a resolution as coarse as 1000 km, which requires an order of magnitude less computation time than used by most general circulation models. 93 references, 44 figures, 8 tables.

  1. Multidimensional realistic modelling of Cepheid-like variables - II. Analysis of a Cepheid model

    NASA Astrophysics Data System (ADS)

    Mundprecht, Eva; Muthsam, Herbert J.; Kupka, Friedrich

    2015-05-01

    Non-local, time-dependent convection models have been used to explain the location of double-mode pulsations in Cepheids in the HR diagram as well as the existence and location of the red edge of the instability strip. These properties are highly sensitive to model parameters. We use 2D radiation-hydrodynamical simulations with realistic microphysics and grey radiative transfer to model a short-period Cepheid. The simulations show that the strength of the convection zone varies significantly over the pulsation period and exhibits a phase shift relative to the variations in radius. We evaluate the convective flux and the work integral as predicted by the most common convection models. It turns out that over one pulsation cycle the model parameter αc, has to be varied by up to a factor of beyond 2 to match the convective flux obtained from the simulations. To bring convective fluxes integrated over the He II convection zone and the overshoot zone below into agreement, this parameter has to be varied by a factor of up to ˜7.5 (Kuhfuß). We then present results on the energetics of the convection and overshoot zone by radially symmetric and fluctuating quantities. To successfully model this scenario by a static, 1D or even by a simple time-dependent model appears extremely challenging. We conclude that significant improvements are needed to make predictions based on 1D models more robust and to improve the reliability of conclusions on the convection-pulsation coupling drawn from them. Multidimensional simulations can provide guidelines for developing descriptions of convection then applied in traditional 1D modelling.

  2. SCIENTIFIC UNCERTAINTIES IN ATMOSPHERIC MERCURY MODELS III: BOUNDARY AND INITIAL CONDITIONS, MODEL GRID RESOLUTION, AND HG(II) REDUCTION MECHANISMS

    EPA Science Inventory

    In this study we investigate the CMAQ model response in terms of simulated mercury concentration and deposition to boundary/initial conditions (BC/IC), model grid resolution (12- versus 36-km), and two alternative Hg(II) reduction mechanisms. The model response to the change of g...

  3. Low-order dynamic modeling of the Experimental Breeder Reactor II

    SciTech Connect

    Berkan, R.C. . Dept. of Nuclear Engineering); Upadhyaya, B.R.; Kisner, R.A. )

    1990-07-01

    This report describes the development of a low-order, linear model of the Experimental Breeder Reactor II (EBR-II), including the primary system, intermediate heat exchanger, and steam generator subsystems. The linear model is developed to represent full-power steady state dynamics for low-level perturbations. Transient simulations are performed using model building and simulation capabilities of the computer software Matrix{sub x}. The inherently safe characteristics of the EBR-II are verified through the simulation studies. The results presented in this report also indicate an agreement between the linear model and the actual dynamics of the plant for several transients. Such models play a major role in the learning and in the improvement of nuclear reactor dynamics for control and signal validation studies. This research and development is sponsored by the Advanced Controls Program in the Instrumentation and Controls Division of the Oak Ridge National Laboratory. 17 refs., 67 figs., 15 tabs.

  4. Standard model Higgs boson searches at CDF in Run II

    SciTech Connect

    Chuang, Shan-Huei; /Wisconsin U., Madison

    2004-10-01

    The SM Higgs boson has been searched in two channels: (1) q{bar q} {yields} WH {yields} {ell}{nu}b{bar b} for Higgs masses 110 < M{sub H} < 150 GeV and (2) gg {yields} H {yields} WW {yields} {ell}{nu}{ell}{nu} for 140 M{sub H} < 180 GeV, where {ell} {element_of} {l_brace}e,{mu}{r_brace}, using about 200 pb{sup -1} CDF Run II data. 95% C.L. limits on each Higgs production at Tevatron at {radical}s = 1.96 TeV were set as a function of Higgs mass by fitting the distribution of dijet mass (1) and dilepton azimuthal angular separation (2). They have significantly advanced the sensitivity to the SM Higgs boson cf. Run I.

  5. Surface complexation modeling calculation of Pb(II) adsorption onto the calcined diatomite

    NASA Astrophysics Data System (ADS)

    Ma, Shu-Cui; Zhang, Ji-Lin; Sun, De-Hui; Liu, Gui-Xia

    2015-12-01

    Removal of noxious heavy metal ions (e.g. Pb(II)) by surface adsorption of minerals (e.g. diatomite) is an important means in the environmental aqueous pollution control. Thus, it is very essential to understand the surface adsorptive behavior and mechanism. In this work, the Pb(II) apparent surface complexation reaction equilibrium constants on the calcined diatomite and distributions of Pb(II) surface species were investigated through modeling calculations of Pb(II) based on diffuse double layer model (DLM) with three amphoteric sites. Batch experiments were used to study the adsorption of Pb(II) onto the calcined diatomite as a function of pH (3.0-7.0) and different ionic strengths (0.05 and 0.1 mol L-1 NaCl) under ambient atmosphere. Adsorption of Pb(II) can be well described by Freundlich isotherm models. The apparent surface complexation equilibrium constants (log K) were obtained by fitting the batch experimental data using the PEST 13.0 together with PHREEQC 3.1.2 codes and there is good agreement between measured and predicted data. Distribution of Pb(II) surface species on the diatomite calculated by PHREEQC 3.1.2 program indicates that the impurity cations (e.g. Al3+, Fe3+, etc.) in the diatomite play a leading role in the Pb(II) adsorption and dominant formation of complexes and additional electrostatic interaction are the main adsorption mechanism of Pb(II) on the diatomite under weak acidic conditions.

  6. Inelastic properties of magnetorheological composites: II. Model, identification of parameters

    NASA Astrophysics Data System (ADS)

    Kaleta, Jerzy; Lewandowski, Daniel; Zietek, Grazyna

    2007-10-01

    As a result of a two-part research project the inelastic properties of a selected group of magnetorheological composites in cyclic shear conditions have been identified. In the first part the fabrication of the composites, their structure, the control-measurement setup, the test methods and the experimental results were described. In the second part (presented here), the experimental data are used to construct a constitutive model and identify it. A four-parameter model of an elastic/viscoplastic body was adopted for description. The model coefficients were made dependent on magnetic field strength H. The model was analysed and procedures for its identification were designed. Two-phase identification of the model parameters was carried out. The model has been shown to be valid in a frequency range above 5 Hz.

  7. Altered Chondrocyte Differentiation and Extracellular Matrix Homeostasis in a Zebrafish Model for Mucolipidosis II

    PubMed Central

    Flanagan-Steet, Heather; Sias, Christina; Steet, Richard

    2009-01-01

    Mucolipidosis II (ML-II) is a pediatric disorder caused by defects in the biosynthesis of mannose 6-phosphate, the carbohydrate recognition signal responsible for targeting certain acid hydrolases to lysosomes. The mechanisms underlying the developmental defects of ML-II are largely unknown due in part to the lack of suitable animal models. To overcome these limitations, we developed a model for ML-II in zebrafish by inhibiting the expression of N-acetylglucosamine-1-phosphotransferase, the enzyme that initiates mannose 6-phosphate biosynthesis. Morphant embryos manifest craniofacial defects, impaired motility, and abnormal otolith and pectoral fin development. Decreased mannose phosphorylation of several lysosomal glycosidases was observed in morphant lysates, consistent with the reduction in phosphotransferase activity. Investigation of the craniofacial defects in the morphants uncovered striking changes in the timing and localization of both type II collagen and Sox9 expression, suggestive of an accelerated chondrocyte differentiation program. Accumulation of type II collagen was also noted within misshapen cartilage elements at later stages of development. Furthermore, we observed abnormal matrix formation and calcium deposition in morphant otoliths. Collectively, these data provide new insight into the developmental pathology of ML-II and suggest that altered production and/or homeostasis of extracellular matrix proteins are integral to the disease process. These findings highlight the potential of the zebrafish system in studying lysosomal disease pathogenesis. PMID:19834066

  8. Simple inflationary quintessential model. II. Power law potentials

    NASA Astrophysics Data System (ADS)

    de Haro, Jaume; Amorós, Jaume; Pan, Supriya

    2016-09-01

    The present work is a sequel of our previous work [Phys. Rev. D 93, 084018 (2016)] which depicted a simple version of an inflationary quintessential model whose inflationary stage was described by a Higgs-type potential and the quintessential phase was responsible due to an exponential potential. Additionally, the model predicted a nonsingular universe in past which was geodesically past incomplete. Further, it was also found that the model is in agreement with the Planck 2013 data when running is allowed. But, this model provides a theoretical value of the running which is far smaller than the central value of the best fit in ns , r , αs≡d ns/d l n k parameter space where ns, r , αs respectively denote the spectral index, tensor-to-scalar ratio and the running of the spectral index associated with any inflationary model, and consequently to analyze the viability of the model one has to focus in the two-dimensional marginalized confidence level in the allowed domain of the plane (ns,r ) without taking into account the running. Unfortunately, such analysis shows that this model does not pass this test. However, in this sequel we propose a family of models runs by a single parameter α ∈[0 ,1 ] which proposes another "inflationary quintessential model" where the inflation and the quintessence regimes are respectively described by a power law potential and a cosmological constant. The model is also nonsingular although geodesically past incomplete as in the cited model. Moreover, the present one is found to be more simple compared to the previous model and it is in excellent agreement with the observational data. In fact, we note that, unlike the previous model, a large number of the models of this family with α ∈[0 ,1/2 ) match with both Planck 2013 and Planck 2015 data without allowing the running. Thus, the properties in the current family of models compared to its past companion justify its need for a better cosmological model with the successive

  9. Chemical evolution of peroxidase--amino acid pentacyanoferrate (II) complexes as model.

    PubMed

    Kamaluddin; Nath, M; Deopujari, S W

    1988-01-01

    Complexes of the type [Fe(II)(CN)5(L)]n- (where n = 3, or 4; L = glycine, histidine, imidazole, and triglycine) are proposed as evolutionary model of peroxidases. Detailed kinetic investigation for disproportionation of hydrogen peroxide catalysed by [Fe(II)(CN)5(L)]n- complexes at 40 degrees C and pH 9.18 are discussed. Decomposition of hydrogen peroxide catalysed by above complexes conforms to Michaelis-Menten type kinetics.

  10. Synthetic Model of the Oxygen-Evolving Center: Photosystem II under the Spotlight.

    PubMed

    Yu, Yang; Hu, Cheng; Liu, Xiaohong; Wang, Jiangyun

    2015-09-21

    The oxygen-evolving center (OEC) in photosystem II catalyzes a water splitting reaction. Great efforts have already been made to artificially synthesize the OEC, in order to elucidate the structure-function relationship and the mechanism of the reaction. Now, a new synthetic model makes the best mimic yet of the OEC. This recent study opens up the possibility to study the mechanism of photosystem II and photosynthesis in general for applications in renewable energy and synthetic biology.

  11. Multiscale geometric modeling of macromolecules II: Lagrangian representation

    PubMed Central

    Feng, Xin; Xia, Kelin; Chen, Zhan; Tong, Yiying; Wei, Guo-Wei

    2013-01-01

    Geometric modeling of biomolecules plays an essential role in the conceptualization of biolmolecular structure, function, dynamics and transport. Qualitatively, geometric modeling offers a basis for molecular visualization, which is crucial for the understanding of molecular structure and interactions. Quantitatively, geometric modeling bridges the gap between molecular information, such as that from X-ray, NMR and cryo-EM, and theoretical/mathematical models, such as molecular dynamics, the Poisson-Boltzmann equation and the Nernst-Planck equation. In this work, we present a family of variational multiscale geometric models for macromolecular systems. Our models are able to combine multiresolution geometric modeling with multiscale electrostatic modeling in a unified variational framework. We discuss a suite of techniques for molecular surface generation, molecular surface meshing, molecular volumetric meshing, and the estimation of Hadwiger’s functionals. Emphasis is given to the multiresolution representations of biomolecules and the associated multiscale electrostatic analyses as well as multiresolution curvature characterizations. The resulting fine resolution representations of a biomolecular system enable the detailed analysis of solvent-solute interaction, and ion channel dynamics, while our coarse resolution representations highlight the compatibility of protein-ligand bindings and possibility of protein-protein interactions. PMID:23813599

  12. Rhode Island Model Evaluation & Support System: Support Professional. Edition II

    ERIC Educational Resources Information Center

    Rhode Island Department of Education, 2015

    2015-01-01

    Rhode Island educators believe that implementing a fair, accurate, and meaningful evaluation and support system for support professionals will help improve student outcomes. The primary purpose of the Rhode Island Model Support Professional Evaluation and Support System (Rhode Island Model) is to help all support professionals do their best work…

  13. Filament winding cylinders. II - Validation of the process model

    NASA Technical Reports Server (NTRS)

    Calius, Emilio P.; Lee, Soo-Yong; Springer, George S.

    1990-01-01

    Analytical and experimental studies were performed to validate the model developed by Lee and Springer for simulating the manufacturing process of filament wound composite cylinders. First, results calculated by the Lee-Springer model were compared to results of the Calius-Springer thin cylinder model. Second, temperatures and strains calculated by the Lee-Springer model were compared to data. The data used in these comparisons were generated during the course of this investigation with cylinders made of Hercules IM-6G/HBRF-55 and Fiberite T-300/976 graphite-epoxy tows. Good agreement was found between the calculated and measured stresses and strains, indicating that the model is a useful representation of the winding and curing processes.

  14. Conceptual Modeling in the Time of the Revolution: Part II

    NASA Astrophysics Data System (ADS)

    Mylopoulos, John

    Conceptual Modeling was a marginal research topic at the very fringes of Computer Science in the 60s and 70s, when the discipline was dominated by topics focusing on programs, systems and hardware architectures. Over the years, however, the field has moved to centre stage and has come to claim a central role both in Computer Science research and practice in diverse areas, such as Software Engineering, Databases, Information Systems, the Semantic Web, Business Process Management, Service-Oriented Computing, Multi-Agent Systems, Knowledge Management, and more. The transformation was greatly aided by the adoption of standards in modeling languages (e.g., UML), and model-based methodologies (e.g., Model-Driven Architectures) by the Object Management Group (OMG) and other standards organizations. We briefly review the history of the field over the past 40 years, focusing on the evolution of key ideas. We then note some open challenges and report on-going research, covering topics such as the representation of variability in conceptual models, capturing model intentions, and models of laws.

  15. Metformin treatment improves erectile function in an angiotensin II model of erectile dysfunction

    PubMed Central

    Labazi, Hicham; Wynne, Brandi M.; Tostes, Rita C.; Webb, R. Clinton

    2015-01-01

    Introduction Increased angiotensin II (AngII) levels cause hypertension, which is a major risk factor for erectile dysfunction (ED). Studies have demonstrated that increased AngII levels in penile tissue are associated with ED. A recent study showed that metformin treatment restored nitric oxide synthase (NOS) protein expression in penile tissue in obese rats; however, whether metformin treatment can be beneficial and restore erectile function in a model of ED has not yet been established. Aim The goal of this study was to test the hypothesis that AngII induces ED by means of increased corpus cavernosum contraction, and that metformin treatment will reverse ED in AngII-treated rats. Methods Male Sprague-Dawley rats were implanted with mini-osmotic pumps containing saline or AngII (70 ng/min, 28 days). Animals were then treated with metformin or vehicle during the last week of AngII infusion. Main Outcome Measures Intracavernosal pressure (ICP); corpus cavernosum contraction and relaxation; nNOS protein expression; extracellular signal-regulated kinase (ERK1/2), AMP-activated protein kinase (AMPK) and eNOS protein expression and phosphorylation. Results AngII induced ED was accompanied with an increase in corpus cavernusom contractility, decreased nitrergic relaxation and increased ERK1/2 phosphorylation. Metformin treatment improved erectile function in the AngII-treated rats by reversing the increased contraction and decreased relaxation. Metformin treatment also resulted in an increase in eNOS phosphorylation at ser1177. Conclusions Metformin treatment increased eNOS phosphorylation and improved erectile function in AngII hypertensive rats by re-establishing normal cavernosal smooth muscle tone. PMID:23889981

  16. Measurement and modeling of advanced coal conversion processes, Volume II

    SciTech Connect

    Solomon, P.R.; Serio, M.A.; Hamblen, D.G.

    1993-06-01

    A two dimensional, steady-state model for describing a variety of reactive and nonreactive flows, including pulverized coal combustion and gasification, is presented. The model, referred to as 93-PCGC-2 is applicable to cylindrical, axi-symmetric systems. Turbulence is accounted for in both the fluid mechanics equations and the combustion scheme. Radiation from gases, walls, and particles is taken into account using a discrete ordinates method. The particle phase is modeled in a lagrangian framework, such that mean paths of particle groups are followed. A new coal-general devolatilization submodel (FG-DVC) with coal swelling and char reactivity submodels has been added.

  17. The Clinical Teacher for Special Education. Final Report: Volume II; Evaluating the Model.

    ERIC Educational Resources Information Center

    Schwartz, Louis; Oseroff, Andrew

    Effectiveness of the clinical teaching model (CTM) developed at Florida State University is documented in Volume II of the project's final report. Reviewed is literature related to teacher effectiveness and conceptual changes, conceptual models and instructional systems, and evaluation research in education. Research design and procedures are…

  18. Distributed routing rainfall-runoff model; version II

    USGS Publications Warehouse

    Alley, W.M.; Smith, P.E.

    1982-01-01

    A computer program of a watershed model for routing storm runoff through a branched system of pipes and (or) natural channels using rainfall as input is described. The model provides detailed simulation of storm-runoff periods selected by the user and a daily soil-moisture accounting between storms. A drainage basin is represented as a set of overland-flow, channel, and reservoir seqments which ,jointly describe the drainage features of the basin. Kinematic wave theory is used for routing flows over contributing overland-flow areas and through the channel network. A set of model segments can be arranged into a network that will represent many complex drainage basins. The model is intended primarily for application to urban watersheds, but may have limited applications to rural watersheds.

  19. Comprehensive computer model for magnetron sputtering. II. Charged particle transport

    SciTech Connect

    Jimenez, Francisco J. Dew, Steven K.; Field, David J.

    2014-11-01

    Discharges for magnetron sputter thin film deposition systems involve complex plasmas that are sensitively dependent on magnetic field configuration and strength, working gas species and pressure, chamber geometry, and discharge power. The authors present a numerical formulation for the general solution of these plasmas as a component of a comprehensive simulation capability for planar magnetron sputtering. This is an extensible, fully three-dimensional model supporting realistic magnetic fields and is self-consistently solvable on a desktop computer. The plasma model features a hybrid approach involving a Monte Carlo treatment of energetic electrons and ions, along with a coupled fluid model for thermalized particles. Validation against a well-known one-dimensional system is presented. Various strategies for improving numerical stability are investigated as is the sensitivity of the solution to various model and process parameters. In particular, the effect of magnetic field, argon gas pressure, and discharge power are studied.

  20. Analysis of a model for the dynamics of prions II

    NASA Astrophysics Data System (ADS)

    Engler, Hans; Pruss, Jan; Webb, Glenn F.

    2006-12-01

    A new mathematical model for the dynamics of prion proliferation involving an ordinary differential equation coupled with a partial integro-differential equation is analyzed, continuing the work in [J. Pruss, L. Pujo-Menjouet, G.F. Webb, R. Zacher, Analysis of a model for the dynamics of prions, Discrete Contin. Dyn. Syst. 6 (2006) 225-235]. We show the well-posedness of this problem in its natural phase space , i.e., there is a unique global semiflow on Z+ associated to the problem. A theorem of threshold type is derived for this model which is typical for mathematical epidemics. If a certain combination of kinetic parameters is below or at the threshold, there is a unique steady state, the disease-free equilibrium, which is globally asymptotically stable in Z+; above the threshold it is unstable, and there is another unique steady state, the disease equilibrium, which inherits that property.

  1. GSTARS computer models and their applications, Part II: Applications

    USGS Publications Warehouse

    Simoes, F.J.M.; Yang, C.T.

    2008-01-01

    In part 1 of this two-paper series, a brief summary of the basic concepts and theories used in developing the Generalized Stream Tube model for Alluvial River Simulation (GSTARS) computer models was presented. Part 2 provides examples that illustrate some of the capabilities of the GSTARS models and how they can be applied to solve a wide range of river and reservoir sedimentation problems. Laboratory and field case studies are used and the examples show representative applications of the earlier and of the more recent versions of GSTARS. Some of the more recent capabilities implemented in GSTARS3, one of the latest versions of the series, are also discussed here with more detail. ?? 2008 International Research and Training Centre on Erosion and Sedimentation and the World Association for Sedimentation and Erosion Research.

  2. Autocorrelation and regularization in digital images. II - Simple image models

    NASA Technical Reports Server (NTRS)

    Jupp, David L. B.; Strahler, Alan H.; Woodcock, Curtis E.

    1989-01-01

    The variogram function used in geostatistical analysis is a useful statistic in the analysis of remotely sensed images. Using the results derived by Jupp et al. (1988), the basic second-order, or covariance, properties of scenes modeled by simple disks of varying size and spacing after imaging into disk-shaped pixels are analyzed to explore the relationship betwee image variograms and discrete object scene structure. The models provide insight into the nature of real images of the earth's surface and the tools for a complete analysis of the more complex case of three-dimensional illuminated discrete-object images.

  3. Spatial modelling of type II diabetes outcomes: a systematic review of approaches used

    PubMed Central

    Baker, Jannah; White, Nicole; Mengersen, Kerrie

    2015-01-01

    With the rising incidence of type II diabetes mellitus (DM II) worldwide, methods to identify high-risk geographical areas have become increasingly important. In this comprehensive review following Cochrane Collaboration guidelines, we outline spatial methods, outcomes and covariates used in all spatial studies involving outcomes of DM II. A total of 1894 potentially relevant citations were identified. Studies were included if spatial methods were used to explore outcomes of DM II or type I and 2 diabetes combined. Descriptive tables were used to summarize information from included studies. Ten spatial studies conducted in the USA, UK and Europe met selection criteria. Three studies used Bayesian generalized linear mixed modelling (GLMM), three used classic generalized linear modelling, one used classic GLMM, two used geographic information systems mapping tools and one compared case:provider ratios across regions. Spatial studies have been effective in identifying high-risk areas and spatial factors associated with DM II outcomes in the USA, UK and Europe, and would be useful in other parts of the world for allocation of additional services to detect and manage DM II early. PMID:26543572

  4. PULSATING REVERSE DETONATION MODELS OF TYPE Ia SUPERNOVAE. II. EXPLOSION

    SciTech Connect

    Bravo, Eduardo; Garcia-Senz, Domingo; Cabezon, Ruben M.; DomInguez, Inmaculada E-mail: domingo.garcia@upc.edu E-mail: inma@ugr.es

    2009-04-20

    Observational evidences point to a common explosion mechanism of Type Ia supernovae based on a delayed detonation of a white dwarf (WD). However, all attempts to find a convincing ignition mechanism based on a delayed detonation in a destabilized, expanding, white dwarf have been elusive so far. One of the possibilities that has been invoked is that an inefficient deflagration leads to pulsation of a Chandrasekhar-mass WD, followed by formation of an accretion shock that confines a carbon-oxygen rich core, while transforming the kinetic energy of the collapsing halo into thermal energy of the core, until an inward moving detonation is formed. This chain of events has been termed Pulsating Reverse Detonation (PRD). In this work, we present three-dimensional numerical simulations of PRD models from the time of detonation initiation up to homologous expansion. Different models characterized by the amount of mass burned during the deflagration phase, M {sub defl}, give explosions spanning a range of kinetic energies, K {approx} (1.0-1.2) x 10{sup 51} erg, and {sup 56}Ni masses, M({sup 56}Ni) {approx} 0.6-0.8 M {sub sun}, which are compatible with what is expected for typical Type Ia supernovae. Spectra and light curves of angle-averaged spherically symmetric versions of the PRD models are discussed. Type Ia supernova spectra pose the most stringent requirements on PRD models.

  5. Modeling Degradation in Solid Oxide Electrolysis Cells - Volume II

    SciTech Connect

    Manohar Motwani

    2011-09-01

    Idaho National Laboratory has an ongoing project to generate hydrogen from steam using solid oxide electrolysis cells (SOECs). To accomplish this, technical and degradation issues associated with the SOECs will need to be addressed. This report covers various approaches being pursued to model degradation issues in SOECs. An electrochemical model for degradation of SOECs is presented. The model is based on concepts in local thermodynamic equilibrium in systems otherwise in global thermodynamic non-equilibrium. It is shown that electronic conduction through the electrolyte, however small, must be taken into account for determining local oxygen chemical potential,, within the electrolyte. The within the electrolyte may lie out of bounds in relation to values at the electrodes in the electrolyzer mode. Under certain conditions, high pressures can develop in the electrolyte just near the oxygen electrode/electrolyte interface, leading to oxygen electrode delamination. These predictions are in accordance with the reported literature on the subject. Development of high pressures may be avoided by introducing some electronic conduction in the electrolyte. By combining equilibrium thermodynamics, non-equilibrium (diffusion) modeling, and first-principles, atomic scale calculations were performed to understand the degradation mechanisms and provide practical recommendations on how to inhibit and/or completely mitigate them.

  6. STREAM TEMPERATURE SIMULATION OF FORESTED RIPARIAN AREAS: II. MODEL APPLICATION

    EPA Science Inventory

    The SHADE-HSPF modeling system described in a companion paper has been tested and applied to the Upper Grande Ronde (UGR) watershed in northeast Oregon. Sensitivities of stream temperature to the heat balance parameters in Hydrologic Simulation Program-FORTRAN (HSPF) and the ripa...

  7. Demonstrations in Solute Transport Using Dyes: Part II. Modeling.

    ERIC Educational Resources Information Center

    Butters, Greg; Bandaranayake, Wije

    1993-01-01

    A solution of the convection-dispersion equation is used to describe the solute breakthrough curves generated in the demonstrations in the companion paper. Estimation of the best fit model parameters (solute velocity, dispersion, and retardation) is illustrated using the method of moments for an example data set. (Author/MDH)

  8. Nutrient Dynamics in Flooded Wetlands. II: Model Application

    EPA Science Inventory

    In this paper we applied and evaluated the wetland nutrient model described in an earlier paper. Hydrologic and water quality data from a small restored wetland located on Kent Island, Maryland, which is part of the Delmarva Peninsula on the Eastern shores of the Chesapeake Bay...

  9. The use of MAVIS II to integrate the modeling and analysis of explosive valve interactions

    SciTech Connect

    Ng, R.; Kwon, D.M.

    1998-12-31

    The MAVIS II computer program provides for the modeling and analysis of explosive valve interactions. This report describes the individual components of the program and how MAVIS II is used with other available tools to integrate the design and understanding of explosive valves. The rationale and model used for each valve interaction is described. Comparisons of the calculated results with available data have demonstrated the feasibility and accuracy of using MAVIS II for analytical studies of explosive valve interactions. The model used for the explosive or pyrotechnic used as the driving force in explosive valves is the most critical to be understood and modeled. MAVIS II is an advanced version that incorporates a plastic, as well as elastic, modeling of the deformations experienced when plungers are forced into a bore. The inclusion of a plastic model has greatly expanded the use of MAVIS for all categories (opening, closure, or combined) of valves, especially for the closure valves in which the sealing operation requires the plastic deformation of either a plunger or bore over a relatively large area. In order to increase its effectiveness, the use of MAVIS II should be integrated with the results from available experimental hardware. Test hardware such as the Velocity Interferometer System for Any Reflector (VISAR) and Velocity Generator test provide experimental data for accurate comparison of the actual valve functions. Variable Explosive Chamber (VEC) and Constant Explosive Volume (CEV) tests are used to provide the proper explosive equation-of-state for the MAVIS calculations of the explosive driving forces. The rationale and logistics of this integration is demonstrated through an example. A recent valve design is used to demonstrate how MAVIS II can be integrated with experimental tools to provide an understanding of the interactions in this valve.

  10. Solving seismological problems using sgraph program: II-waveform modeling

    SciTech Connect

    Abdelwahed, Mohamed F.

    2012-09-26

    One of the seismological programs to manipulate seismic data is SGRAPH program. It consists of integrated tools to perform advanced seismological techniques. SGRAPH is considered a new system for maintaining and analyze seismic waveform data in a stand-alone Windows-based application that manipulate a wide range of data formats. SGRAPH was described in detail in the first part of this paper. In this part, I discuss the advanced techniques including in the program and its applications in seismology. Because of the numerous tools included in the program, only SGRAPH is sufficient to perform the basic waveform analysis and to solve advanced seismological problems. In the first part of this paper, the application of the source parameters estimation and hypocentral location was given. Here, I discuss SGRAPH waveform modeling tools. This paper exhibits examples of how to apply the SGRAPH tools to perform waveform modeling for estimating the focal mechanism and crustal structure of local earthquakes.

  11. Differential geometry based solvation model II: Lagrangian formulation.

    PubMed

    Chen, Zhan; Baker, Nathan A; Wei, G W

    2011-12-01

    Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation models. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The optimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and PB equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for the purpose of

  12. Differential geometry based solvation model II: Lagrangian formulation

    PubMed Central

    Chen, Zhan; Baker, Nathan A.; Wei, G. W.

    2010-01-01

    Solvation is an elementary process in nature and is of paramount importance to more sophisticated chemical, biological and biomolecular processes. The understanding of solvation is an essential prerequisite for the quantitative description and analysis of biomolecular systems. This work presents a Lagrangian formulation of our differential geometry based solvation model. The Lagrangian representation of biomolecular surfaces has a few utilities/advantages. First, it provides an essential basis for biomolecular visualization, surface electrostatic potential map and visual perception of biomolecules. Additionally, it is consistent with the conventional setting of implicit solvent theories and thus, many existing theoretical algorithms and computational software packages can be directly employed. Finally, the Lagrangian representation does not need to resort to artificially enlarged van der Waals radii as often required by the Eulerian representation in solvation analysis. The main goal of the present work is to analyze the connection, similarity and difference between the Eulerian and Lagrangian formalisms of the solvation model. Such analysis is important to the understanding of the differential geometry based solvation model. The present model extends the scaled particle theory (SPT) of nonpolar solvation model with a solvent-solute interaction potential. The nonpolar solvation model is completed with a Poisson-Boltzmann (PB) theory based polar solvation model. The differential geometry theory of surfaces is employed to provide a natural description of solvent-solute interfaces. The minimization of the total free energy functional, which encompasses the polar and nonpolar contributions, leads to coupled potential driven geometric flow and Poisson-Boltzmann equations. Due to the development of singularities and nonsmooth manifolds in the Lagrangian representation, the resulting potential-driven geometric flow equation is embedded into the Eulerian representation for

  13. GCR environmental models II: Uncertainty propagation methods for GCR environments

    NASA Astrophysics Data System (ADS)

    Slaba, Tony C.; Blattnig, Steve R.

    2014-04-01

    In order to assess the astronaut exposure received within vehicles or habitats, accurate models of the ambient galactic cosmic ray (GCR) environment are required. Many models have been developed and compared to measurements, with uncertainty estimates often stated to be within 15%. However, intercode comparisons can lead to differences in effective dose exceeding 50%. This is the second of three papers focused on resolving this discrepancy. The first paper showed that GCR heavy ions with boundary energies below 500 MeV/n induce less than 5% of the total effective dose behind shielding. Yet, due to limitations on available data, model development and validation are heavily influenced by comparisons to measurements taken below 500 MeV/n. In the current work, the focus is on developing an efficient method for propagating uncertainties in the ambient GCR environment to effective dose values behind shielding. A simple approach utilizing sensitivity results from the first paper is described and shown to be equivalent to a computationally expensive Monte Carlo uncertainty propagation. The simple approach allows a full uncertainty propagation to be performed once GCR uncertainty distributions are established. This rapid analysis capability may be integrated into broader probabilistic radiation shielding analysis and also allows error bars (representing boundary condition uncertainty) to be placed around point estimates of effective dose.

  14. Slag Behavior in Gasifiers. Part II: Constitutive Modeling of Slag

    SciTech Connect

    Massoudi, Mehrdad; Wang, Ping

    2013-02-07

    The viscosity of slag and the thermal conductivity of ash deposits are among two of the most important constitutive parameters that need to be studied. The accurate formulation or representations of the (transport) properties of coal present a special challenge of modeling efforts in computational fluid dynamics applications. Studies have indicated that slag viscosity must be within a certain range of temperatures for tapping and the membrane wall to be accessible, for example, between 1,300 °C and 1,500 °C, the viscosity is approximately 25 Pa·s. As the operating temperature decreases, the slag cools and solid crystals begin to form. Since slag behaves as a non-linear fluid, we discuss the constitutive modeling of slag and the important parameters that must be studied. We propose a new constitutive model, where the stress tensor not only has a yield stress part, but it also has a viscous part with a shear rate dependency of the viscosity, along with temperature and concentration dependency, while allowing for the possibility of the normal stress effects. In Part I, we reviewed, identify and discuss the key coal ash properties and the operating conditions impacting slag behavior.

  15. THE FORMATION OF IRIS DIAGNOSTICS. I. A QUINTESSENTIAL MODEL ATOM OF Mg II AND GENERAL FORMATION PROPERTIES OF THE Mg II h and k LINES

    SciTech Connect

    Leenaarts, J.; Pereira, T. M. D.; Carlsson, M.; De Pontieu, B.; Uitenbroek, H. E-mail: tiago.pereira@astro.uio.no E-mail: bdp@lmsal.com

    2013-08-01

    NASA's Interface Region Imaging Spectrograph (IRIS) space mission will study how the solar atmosphere is energized. IRIS contains an imaging spectrograph that covers the Mg II h and k lines as well as a slit-jaw imager centered at Mg II k. Understanding the observations will require forward modeling of Mg II h and k line formation from three-dimensional (3D) radiation-MHD models. This paper is the first in a series where we undertake this forward modeling. We discuss the atomic physics pertinent to h and k line formation, present a quintessential model atom that can be used in radiative transfer computations, and discuss the effect of partial redistribution (PRD) and 3D radiative transfer on the emergent line profiles. We conclude that Mg II h and k can be modeled accurately with a four-level plus continuum Mg II model atom. Ideally radiative transfer computations should be done in 3D including PRD effects. In practice this is currently not possible. A reasonable compromise is to use one-dimensional PRD computations to model the line profile up to and including the central emission peaks, and use 3D transfer assuming complete redistribution to model the central depression.

  16. Corroborative models of the cobalt(II) inhibited Fe/Mn superoxide dismutases.

    PubMed

    Scarpellini, Marciela; Wu, Amy J; Kampf, Jeff W; Pecoraro, Vincent L

    2005-07-11

    Attempting to model superoxide dismutase (SOD) enzymes, we designed two new N3O-donor ligands to provide the same set of donor atoms observed in the active site of these enzymes: K(i)Pr2TCMA (potassium 1,4-diisopropyl-1,4,7-triazacyclononane-N-acetate) and KBPZG (potassium N,N-bis(3,5-dimethylpyrazolylmethyl) glycinate). Five new Co(II) complexes (1-5) were obtained and characterized by X-ray crystallography, mass spectrometry, electrochemistry, magnetochemistry, UV-vis, and electron paramagnetic resonance (EPR) spectroscopies. The crystal structures of 1 and 3-5 revealed five-coordinate complexes, whereas complex 2 is six-coordinate. The EPR data of complexes 3 and 4 agree with those of the Co(II)-substituted SOD, which strongly support the proposition that the active site of the enzyme structurally resembles these models. The redox behavior of complexes 1-5 clearly demonstrates the stabilization of the Co(II) state in the ligand field provided by these ligands. The irreversibility displayed by all of the complexes is probably related to an electron-transfer process followed by a rearrangement of the geometry around the metal center for complexes 1 and 3-5 that probably changes from a trigonal bipyramidal (high spin, d7) to octahedral (low spin, d6) as Co(II) is oxidized to Co(III), which is also expected to be accompanied by a spin-state conversion. As the redox potentials to convert the Co(II) to Co(III) are high, it can be inferred that the redox potential of the Co(II)-substituted SOD may be outside the range required to convert the superoxide radical (O2*-) to hydrogen peroxide, and this is sufficient to explain the inactivity of the enzyme. Finally, the complexes reported here are the first corroborative structural models of the Co(II)-substituted SOD.

  17. Modeling direct interband tunneling. II. Lower-dimensional structures

    SciTech Connect

    Pan, Andrew; Chui, Chi On

    2014-08-07

    We investigate the applicability of the two-band Hamiltonian and the widely used Kane analytical formula to interband tunneling along unconfined directions in nanostructures. Through comparisons with k·p and tight-binding calculations and quantum transport simulations, we find that the primary correction is the change in effective band gap. For both constant fields and realistic tunnel field-effect transistors, dimensionally consistent band gap scaling of the Kane formula allows analytical and numerical device simulations to approximate non-equilibrium Green's function current characteristics without arbitrary fitting. This allows efficient first-order calibration of semiclassical models for interband tunneling in nanodevices.

  18. Modeling downstream fining in sand-bed rivers. II: Application

    USGS Publications Warehouse

    Wright, S.; Parker, G.

    2005-01-01

    In this paper the model presented in the companion paper, Wright and Parker (2005) is applied to a generic river reach typical of a large, sand-bed river flowing into the ocean in order to investigate the mechanisms controlling longitudinal profile development and downstream fining. Three mechanisms which drive downstream fining are studied: a delta prograding into standing water, sea-level rise, and tectonic subsidence. Various rates of sea-level rise (typical of the late Holocene) and tectonic subsidence are modeled in order to quantify their effects on the degree of profile concavity and downstream fining. Also, several other physical mechanisms which may affect fining are studied, including the relative importance of the suspended versus bed load, the effect of the loss of sediment overbank, and the influence of the delta bottom slope. Finally, sensitivity analysis is used to show that the grain-size distribution at the interface between the active layer and substrate has a significant effect on downstream fining. ?? 2005 International Association of Hydraulic Engineering and Research.

  19. nIFTy galaxy cluster simulations - II. Radiative models

    NASA Astrophysics Data System (ADS)

    Sembolini, Federico; Elahi, Pascal Jahan; Pearce, Frazer R.; Power, Chris; Knebe, Alexander; Kay, Scott T.; Cui, Weiguang; Yepes, Gustavo; Beck, Alexander M.; Borgani, Stefano; Cunnama, Daniel; Davé, Romeel; February, Sean; Huang, Shuiyao; Katz, Neal; McCarthy, Ian G.; Murante, Giuseppe; Newton, Richard D. A.; Perret, Valentin; Puchwein, Ewald; Saro, Alexandro; Schaye, Joop; Teyssier, Romain

    2016-07-01

    We have simulated the formation of a massive galaxy cluster (M_{200}^crit = 1.1 × 1015 h-1 M⊙) in a Λ cold dark matter universe using 10 different codes (RAMSES, 2 incarnations of AREPO and 7 of GADGET), modelling hydrodynamics with full radiative subgrid physics. These codes include smoothed-particle hydrodynamics (SPH), spanning traditional and advanced SPH schemes, adaptive mesh and moving mesh codes. Our goal is to study the consistency between simulated clusters modelled with different radiative physical implementations - such as cooling, star formation and thermal active galactic nucleus (AGN) feedback. We compare images of the cluster at z = 0, global properties such as mass, and radial profiles of various dynamical and thermodynamical quantities. We find that, with respect to non-radiative simulations, dark matter is more centrally concentrated, the extent not simply depending on the presence/absence of AGN feedback. The scatter in global quantities is substantially higher than for non-radiative runs. Intriguingly, adding radiative physics seems to have washed away the marked code-based differences present in the entropy profile seen for non-radiative simulations in Sembolini et al.: radiative physics + classic SPH can produce entropy cores, at least in the case of non cool-core clusters. Furthermore, the inclusion/absence of AGN feedback is not the dividing line -as in the case of describing the stellar content - for whether a code produces an unrealistic temperature inversion and a falling central entropy profile. However, AGN feedback does strongly affect the overall stellar distribution, limiting the effect of overcooling and reducing sensibly the stellar fraction.

  20. Modeling the distribution of Mg II absorbers around galaxies using background galaxies and quasars

    SciTech Connect

    Bordoloi, R.; Lilly, S. J.; Kacprzak, G. G.; Churchill, C. W.

    2014-04-01

    We present joint constraints on the distribution of Mg II absorption around high redshift galaxies obtained by combining two orthogonal probes, the integrated Mg II absorption seen in stacked background galaxy spectra and the distribution of parent galaxies of individual strong Mg II systems as seen in the spectra of background quasars. We present a suite of models that can be used to predict, for different two- and three-dimensional distributions, how the projected Mg II absorption will depend on a galaxy's apparent inclination, the impact parameter b and the azimuthal angle between the projected vector to the line of sight and the projected minor axis. In general, we find that variations in the absorption strength with azimuthal angles provide much stronger constraints on the intrinsic geometry of the Mg II absorption than the dependence on the inclination of the galaxies. In addition to the clear azimuthal dependence in the integrated Mg II absorption that we reported earlier in Bordoloi et al., we show that strong equivalent width Mg II absorbers (W{sub r} (2796) ≥ 0.3 Å) are also asymmetrically distributed in azimuth around their host galaxies: 72% of the absorbers in Kacprzak et al., and 100% of the close-in absorbers within 35 kpc of the center of their host galaxies, are located within 50° of the host galaxy's projected semi minor axis. It is shown that either composite models consisting of a simple bipolar component plus a spherical or disk component, or a single highly softened bipolar distribution, can well represent the azimuthal dependencies observed in both the stacked spectrum and quasar absorption-line data sets within 40 kpc. Simultaneously fitting both data sets, we find that in the composite model the bipolar cone has an opening angle of ∼100° (i.e., confined to within 50° of the disk axis) and contains about two-thirds of the total Mg II absorption in the system. The single softened cone model has an exponential fall off with azimuthal

  1. Control of gravitropic orientation. II. Dual receptor model for gravitropism.

    PubMed

    LaMotte, Clifford E; Pickard, Barbara G

    2004-01-01

    Gravitropism of vascular plants has been assumed to require a single gravity receptor mechanism. However, based on the evidence in Part I of this study, we propose that maize roots require two. The first mechanism is without a directional effect and, by itself, cannot give rise to tropism. Its role is quantitative facilitation of the second mechanism, which is directional like the gravitational force itself and provides the impetus for tropic curvature. How closely coupled the two mechanisms may be is, as yet, unclear. The evidence for dual receptors supports a general model for roots. When readiness for gravifacilitation, or gravifacilitation itself, is constitutive, orthogravitropic curvature can go to completion. If not constitutively enabled, gravifacilitation can be weak in the absence of light and water deficit or strong in the presence of light and water deficit. In either case, it can decay and permit roots to assume reproducible non-vertical orientations (plagiogravitropic or plagiotropic orientations) without using non-vertical setpoints. In this way roots are deployed in a large volume of soil. Gravitropic behaviours in shoots are more diverse than in roots, utilising oblique and horizontal as well as vertical setpoints. As a guide to future experiments, we assess how constitutive v. non-constitutive modes of gravifacilitation might contribute to behaviours based on each kind of setpoint. PMID:15895503

  2. TURBULENT CONVECTION MODEL IN THE OVERSHOOTING REGION. II. THEORETICAL ANALYSIS

    SciTech Connect

    Zhang, Q. S.; Li, Y. E-mail: ly@ynao.ac.cn

    2012-05-01

    Turbulent convection models (TCMs) are thought to be good tools to deal with the convective overshooting in the stellar interior. However, they are too complex to be applied to calculations of stellar structure and evolution. In order to understand the physical processes of the convective overshooting and to simplify the application of TCMs, a semi-analytic solution is necessary. We obtain the approximate solution and asymptotic solution of the TCM in the overshooting region, and find some important properties of the convective overshooting. (1) The overshooting region can be partitioned into three parts: a thin region just outside the convective boundary with high efficiency of turbulent heat transfer, a power-law dissipation region of turbulent kinetic energy in the middle, and a thermal dissipation area with rapidly decreasing turbulent kinetic energy. The decaying indices of the turbulent correlations k, u{sub r}'T'-bar, and T'T'-bar are only determined by the parameters of the TCM, and there is an equilibrium value of the anisotropic degree {omega}. (2) The overshooting length of the turbulent heat flux u{sub r}'T'-bar is about 1H{sub k} (H{sub k} = |dr/dln k|). (3) The value of the turbulent kinetic energy at the convective boundary k{sub C} can be estimated by a method called the maximum of diffusion. Turbulent correlations in the overshooting region can be estimated by using k{sub C} and exponentially decreasing functions with the decaying indices.

  3. Theory of stellar convection - II. First stellar models

    NASA Astrophysics Data System (ADS)

    Pasetto, S.; Chiosi, C.; Chiosi, E.; Cropper, M.; Weiss, A.

    2016-07-01

    We present here the first stellar models on the Hertzsprung-Russell diagram, in which convection is treated according to the new scale-free convection theory (SFC theory) by Pasetto et al. The aim is to compare the results of the new theory with those from the classical, calibrated mixing-length (ML) theory to examine differences and similarities. We integrate the equations describing the structure of the atmosphere from the stellar surface down to a few per cent of the stellar mass using both ML theory and SFC theory. The key temperature over pressure gradients, the energy fluxes, and the extension of the convective zones are compared in both theories. The analysis is first made for the Sun and then extended to other stars of different mass and evolutionary stage. The results are adequate: the SFC theory yields convective zones, temperature gradients ∇ and ∇e, and energy fluxes that are very similar to those derived from the `calibrated' MT theory for main-sequence stars. We conclude that the old scale dependent ML theory can now be replaced with a self-consistent scale-free theory able to predict correct results, as it is more physically grounded than the ML theory. Fundamentally, the SFC theory offers a deeper insight of the underlying physics than numerical simulations.

  4. Control of gravitropic orientation. II. Dual receptor model for gravitropism

    NASA Technical Reports Server (NTRS)

    LaMotte, Clifford E.; Pickard, Barbara G.

    2004-01-01

    Gravitropism of vascular plants has been assumed to require a single gravity receptor mechanism. However, based on the evidence in Part I of this study, we propose that maize roots require two. The first mechanism is without a directional effect and, by itself, cannot give rise to tropism. Its role is quantitative facilitation of the second mechanism, which is directional like the gravitational force itself and provides the impetus for tropic curvature. How closely coupled the two mechanisms may be is, as yet, unclear. The evidence for dual receptors supports a general model for roots. When readiness for gravifacilitation, or gravifacilitation itself, is constitutive, orthogravitropic curvature can go to completion. If not constitutively enabled, gravifacilitation can be weak in the absence of light and water deficit or strong in the presence of light and water deficit. In either case, it can decay and permit roots to assume reproducible non-vertical orientations (plagiogravitropic or plagiotropic orientations) without using non-vertical setpoints. In this way roots are deployed in a large volume of soil. Gravitropic behaviours in shoots are more diverse than in roots, utilising oblique and horizontal as well as vertical setpoints. As a guide to future experiments, we assess how constitutive v. non-constitutive modes of gravifacilitation might contribute to behaviours based on each kind of setpoint.

  5. Model for water outgassing from metal surfaces. II

    SciTech Connect

    Minxu Li; Fred Dylla

    1994-01-01

    The outgassing rate from an electropolished stainless steel (type 304) surface is measured after the surface is exposed to H{sub 2}O vapor at pressures (p{sub 0}) of 10{sup -3}-10 Torr for exposure periods (t{sub 0}) of 3-600 min. The system is kept at 310, 350, or 390 K during H{sub 2}O exposures and subsequent outgassing measurements. Our data show that the outgassing rate is proportional to p{sup n}{sub 0}, where n=0.3, 0.26, 0.25 for T=310, 350, 390 K, respectively. The adsorption rate, defined as the quantity of H{sub 2}O being adsorbed during exposures per unit time, is proportional to 1/t{sub 0}. Continuing the previous work [Li and Dylla, J. Vac. Sci. Technol. A 11, 1702 (1993)] on correlating the outgassing with the source distribution of sorbed gas, we prove that the practical expression for the outgassing rate, Q(t)=Q{sub 10}/t{sup alpha}, can be derived from a H{sub 2}O concentration falling as (1/x){sup 2alpha-1} with the spatial variable x defined as the distance away from the surface. The observed dependence of the outgassing rate on the exposure conditions is consistent with the predictions of this simple model.

  6. Unified Model of the rf Plasma Sheath, Part II

    NASA Astrophysics Data System (ADS)

    Riley, Merle

    1996-10-01

    By developing an approximation to the first integral of the Poisson equation, one can obtain solutions for the current-voltage characteristics of an rf plasma sheath that are valid over the whole range of inertial response of the ions to an imposed rf voltage or current. (M.E.Riley, 1995 GEC, abstract QA5, published in Bull. Am. Phys. Soc., 40, 1587 (1995).) The theory has been shown to adequately reproduce current-voltage characteristics of two extreme cases (M.A. Lieberman, IEEE Trans. Plasma Sci. 16, 638 (1988). A. Metze, D.W. Ernie, and H.J.Oskam, J.Appl.Phys., 60, 3081 (1986).) of ion response. In this work I show the effect of different conventions for connecting the sheath model to the bulk plasma. Modifications of the Mach number and a finite electric field at the Bohm point are natural choices. The differences are examined for a sheath in a high density Ar plasma and are found to be insignificant. A theoretical argument favors the electric field modification. *Work performed at Sandia National Labs and supported by US DoE under contract DE-AC04-94AL85000.

  7. Competitive sorption and selective sequence of Cu(II) and Ni(II) on montmorillonite: Batch, modeling, EPR and XAS studies

    NASA Astrophysics Data System (ADS)

    Yang, Shitong; Ren, Xuemei; Zhao, Guixia; Shi, Weiqun; Montavon, Gilles; Grambow, Bernd; Wang, Xiangke

    2015-10-01

    Heavy metal ions that leach from various industrial and agricultural processes are simultaneously present in the contaminated soil and water systems. The competitive sorption of these toxic metal ions on the natural soil components and sediments significantly influences their migration, bioavailability and ecotoxicity in the geochemical environment. In this study, the competitive sorption and selectivity order of Cu(II) and Ni(II) on montmorillonite are investigated by combining the batch experiments, X-ray diffraction (XRD), electron paramagnetic resonance (EPR), surface complexation modeling and X-ray Absorption Spectroscopy (XAS). The batch experimental data show that the coexisting Ni(II) exhibits a negligible influence on the sorption behavior of Cu(II), whereas the coexisting Cu(II) reduces the Ni(II) sorption percentage and changes the shape of the Ni(II) sorption isotherm. The sorption species of Cu(II) and Ni(II) on montmorillonite over the acidic and near-neutral pH range are well simulated by the surface complexation modeling. However, this model cannot identify the occurrence of surface nucleation and the co-precipitation processes at a highly alkaline pH. Based on the results of the EPR and XAS analyses, the microstructures of Cu(II) on montmorillonite are identified as the hydrated free Cu(II) ions at pH 5.0, inner-sphere surface complexes at pH 6.0 and the surface dimers/Cu(OH)2(s) precipitate at pH 8.0 in the single-solute and the binary-solute systems. For the Ni(II) sorption in the single-solute system, the formed microstructure varies from the hydrated free Ni(II) ions at the pH values of 5.0 and 6.0 to the inner-sphere surface complexes at pH 8.0. For the Ni(II) sorption in the binary-solute system, the coexisting Cu(II) induces the formation of the inner-sphere complexes at pH 6.0. In contrast, Ni(II) is adsorbed on montmorillonite via the formation of Ni phyllosilicate co-precipitate/α-Ni(OH)2(s) precipitate at pH 8.0. The selective sequence

  8. Double Higgs production at LHC, see-saw type-II and Georgi-Machacek model

    SciTech Connect

    Godunov, S. I. Vysotsky, M. I. Zhemchugov, E. V.

    2015-03-15

    The double Higgs production in the models with isospin-triplet scalars is studied. It is shown that in the see-saw type-II model, the mode with an intermediate heavy scalar, pp → H + X → 2h + X, may have the cross section that is comparable with that in the Standard Model. In the Georgi-Machacek model, this cross section could be much larger than in the Standard Model because the vacuum expectation value of the triplet can be large.

  9. Active region upflows. II. Data driven magnetohydrodynamic modelling

    NASA Astrophysics Data System (ADS)

    Galsgaard, K.; Madjarska, M. S.; Vanninathan, K.; Huang, Z.; Presmann, M.

    2015-12-01

    Context. Observations of many active regions show a slow systematic outflow/upflow from their edges lasting from hours to days. At present no physical explanation has been proven, while several suggestions have been put forward. Aims: This paper investigates one possible method for maintaining these upflows assuming, that convective motions drive the magnetic field to initiate them through magnetic reconnection. Methods: We use Helioseismic and Magnetic Imager (HMI) data to provide an initial potential 3D magnetic field of the active region NOAA 11123 on 2010 November 13 where the characteristic upflow velocities are observed. A simple 1D hydrostatic atmospheric model covering the region from the photosphere to the corona is derived. Local correlation tracking of the magnetic features in the HMI data is used to derive a proxy for the time dependent velocity field. The time dependent evolution of the system is solved using a resistive 3D magnetohydrodynamic code. Results: The magnetic field contains several null points located well above the photosphere, with their fan planes dividing the magnetic field into independent open and closed flux domains. The stressing of the interfaces between the different flux domains is expected to provide locations where magnetic reconnection can take place and drive systematic flows. In this case, the region between the closed and open flux is identified as the region where observations find the systematic upflows. Conclusions: In the present experiment, the driving only initiates magneto-acoustic waves without driving any systematic upflows at any of the flux interfaces. Movie is available in electronic form at http://www.aanda.org

  10. Curriculum Guides for Level I and Level II: National Manpower Model.

    ERIC Educational Resources Information Center

    National Inst. on Mental Retardation, Toronto (Ontario).

    Curriculum guides to levels I and II of the Canadian National Manpower Model, which elaborate on content originally presented in 1971, are provided for personnel training programs in the field of mental retardation and related handicapping areas. The guides are said to be based on a philosophy that demands society's acceptance of retarded and…

  11. 78 FR 5765 - Wireline Competition Bureau Releases Connect America Phase II Cost Model Virtual Workshop...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-28

    ...] Wireline Competition Bureau Releases Connect America Phase II Cost Model Virtual Workshop Discussion Topics... Competition Bureau releases for discussion a number of virtual workshop topics related to the development and... comments. Virtual Workshop: In addition to the usual methods for filing electronic comments, the...

  12. Catalytic Oxygen Evolution by a Bioinorganic Model of the Photosystem II Oxygen-Evolving Complex

    ERIC Educational Resources Information Center

    Howard, Derrick L.; Tinoco, Arthur D.; Brudvig, Gary W.; Vrettos, John S.; Allen, Bertha Connie

    2005-01-01

    Bioinorganic models of the manganese Mn4 cluster are important not only as aids in understanding the structure and function of the oxygen-evolving complex (OEC), but also in developing artificial water-oxidation catalysts. The mechanism of water oxidation by photosystem II (PSII) is thought to involve the formation of a high-valent terminal Mn-oxo…

  13. ESEEM Analysis of Multi-Histidine Cu(II)-Coordination in Model Complexes, Peptides, and Amyloid-β

    PubMed Central

    2015-01-01

    We validate the use of ESEEM to predict the number of 14N nuclei coupled to a Cu(II) ion by the use of model complexes and two small peptides with well-known Cu(II) coordination. We apply this method to gain new insight into less explored aspects of Cu(II) coordination in amyloid-β (Aβ). Aβ has two coordination modes of Cu(II) at physiological pH. A controversy has existed regarding the number of histidine residues coordinated to the Cu(II) ion in component II, which is dominant at high pH (∼8.7) values. Importantly, with an excess amount of Zn(II) ions, as is the case in brain tissues affected by Alzheimer’s disease, component II becomes the dominant coordination mode, as Zn(II) selectively substitutes component I bound to Cu(II). We confirm that component II only contains single histidine coordination, using ESEEM and set of model complexes. The ESEEM experiments carried out on systematically 15N-labeled peptides reveal that, in component II, His 13 and His 14 are more favored as equatorial ligands compared to His 6. Revealing molecular level details of subcomponents in metal ion coordination is critical in understanding the role of metal ions in Alzheimer’s disease etiology. PMID:25014537

  14. ESEEM analysis of multi-histidine Cu(II)-coordination in model complexes, peptides, and amyloid-β.

    PubMed

    Silva, K Ishara; Michael, Brian C; Geib, Steven J; Saxena, Sunil

    2014-07-31

    We validate the use of ESEEM to predict the number of (14)N nuclei coupled to a Cu(II) ion by the use of model complexes and two small peptides with well-known Cu(II) coordination. We apply this method to gain new insight into less explored aspects of Cu(II) coordination in amyloid-β (Aβ). Aβ has two coordination modes of Cu(II) at physiological pH. A controversy has existed regarding the number of histidine residues coordinated to the Cu(II) ion in component II, which is dominant at high pH (∼8.7) values. Importantly, with an excess amount of Zn(II) ions, as is the case in brain tissues affected by Alzheimer's disease, component II becomes the dominant coordination mode, as Zn(II) selectively substitutes component I bound to Cu(II). We confirm that component II only contains single histidine coordination, using ESEEM and set of model complexes. The ESEEM experiments carried out on systematically (15)N-labeled peptides reveal that, in component II, His 13 and His 14 are more favored as equatorial ligands compared to His 6. Revealing molecular level details of subcomponents in metal ion coordination is critical in understanding the role of metal ions in Alzheimer's disease etiology.

  15. Flight Model Development of Tokyo Tech Nano-Satellite Cute-1.7 + APD II

    NASA Astrophysics Data System (ADS)

    Ashida, Hiroki; Nishida, Junichi; Omagari, Kuniyuki; Fujiwara, Ken; Konda, Yasumi; Yamanaka, Tomio; Tanaka, Yohei; Maeno, Masaki; Fujihashi, Kota; Inagawa, Shinichi; Miura, Yoshiyuki; Matunaga, Saburo

    The Laboratory for Space Systems at the Tokyo Institute of Technology has developed the nano-satellite Cute-1.7+APD. The satellite was launched by JAXA M-V-8 rocket on February 22, 2006 and operated for about a month. A successor to the Cute-1.7+APD was developed and is named Cute-1.7+APD II. This new satellite is based on its predecessor but has some modifications. In this paper an overview of the Cute-1.7 series and flight model development of Cute-1.7+APD II are introduced.

  16. Cosmological Parameter Uncertainties from SALT-II Type Ia Supernova Light Curve Models

    SciTech Connect

    Mosher, J.; Guy, J.; Kessler, R.; Astier, P.; Marriner, J.; Betoule, M.; Sako, M.; El-Hage, P.; Biswas, R.; Pain, R.; Kuhlmann, S.; Regnault, N.; Frieman, J. A.; Schneider, D. P.

    2014-08-29

    We use simulated type Ia supernova (SN Ia) samples, including both photometry and spectra, to perform the first direct validation of cosmology analysis using the SALT-II light curve model. This validation includes residuals from the light curve training process, systematic biases in SN Ia distance measurements, and a bias on the dark energy equation of state parameter w. Using the SN-analysis package SNANA, we simulate and analyze realistic samples corresponding to the data samples used in the SNLS3 analysis: ~120 low-redshift (z < 0.1) SNe Ia, ~255 Sloan Digital Sky Survey SNe Ia (z < 0.4), and ~290 SNLS SNe Ia (z ≤ 1). To probe systematic uncertainties in detail, we vary the input spectral model, the model of intrinsic scatter, and the smoothing (i.e., regularization) parameters used during the SALT-II model training. Using realistic intrinsic scatter models results in a slight bias in the ultraviolet portion of the trained SALT-II model, and w biases (w (input) – w (recovered)) ranging from –0.005 ± 0.012 to –0.024 ± 0.010. These biases are indistinguishable from each other within the uncertainty, the average bias on w is –0.014 ± 0.007.

  17. Cosmological parameter uncertainties from SALT-II type Ia supernova light curve models

    SciTech Connect

    Mosher, J.; Sako, M.; Guy, J.; Astier, P.; Betoule, M.; El-Hage, P.; Pain, R.; Regnault, N.; Marriner, J.; Biswas, R.; Kuhlmann, S.; Schneider, D. P.

    2014-09-20

    We use simulated type Ia supernova (SN Ia) samples, including both photometry and spectra, to perform the first direct validation of cosmology analysis using the SALT-II light curve model. This validation includes residuals from the light curve training process, systematic biases in SN Ia distance measurements, and a bias on the dark energy equation of state parameter w. Using the SN-analysis package SNANA, we simulate and analyze realistic samples corresponding to the data samples used in the SNLS3 analysis: ∼120 low-redshift (z < 0.1) SNe Ia, ∼255 Sloan Digital Sky Survey SNe Ia (z < 0.4), and ∼290 SNLS SNe Ia (z ≤ 1). To probe systematic uncertainties in detail, we vary the input spectral model, the model of intrinsic scatter, and the smoothing (i.e., regularization) parameters used during the SALT-II model training. Using realistic intrinsic scatter models results in a slight bias in the ultraviolet portion of the trained SALT-II model, and w biases (w {sub input} – w {sub recovered}) ranging from –0.005 ± 0.012 to –0.024 ± 0.010. These biases are indistinguishable from each other within the uncertainty; the average bias on w is –0.014 ± 0.007.

  18. Two Higgs doublet model of type II facing flavor physics data

    SciTech Connect

    Deschamps, Olivier; Monteil, Stephane; Niess, Valentin; Descotes-Genon, Sebastien; T'Jampens, Stephane; Tisserand, Vincent

    2010-10-01

    We discuss tests of the charged Higgs sector of the two Higgs doublet model (2HDM) of type II in the light of recent flavor physics data. Particular attention is paid to recent measurement of purely leptonic decays of heavy-light mesons, which depart more or less significantly from the standard model (SM) predictions. We derive constraints on the parameters of the 2HDM type II from leptonic and semileptonic {Delta}F=1 decays as well as loop processes (b{yields}s{gamma}, BB mixing, or Z{yields}bb) sensitive to charged Higgs contributions. The outcome of this work is that while 2HDM type II can fit the individual observable through fine-tuning schemes, in a combined analysis it does not perform better than the standard model by favoring a decoupling solution. Assuming that 2HDM type II is realized in nature, constraints on its parameters (m{sub H}{sup +} and tan{beta}) are derived. A limit on the charged Higgs mass m{sub H}{sup +}>316 GeV at 95% CL is obtained irrespective of the value of tan{beta}. This limit is dominated by the b{yields}s{gamma} branching ratio measurement. All results have been obtained with the CKMfitter analysis package, featuring the frequentist statistical approach Rfit to handle theoretical uncertainties.

  19. Statistics of SU(5) D-brane models on a type II orientifold

    NASA Astrophysics Data System (ADS)

    Gmeiner, Florian; Stein, Maren

    2006-06-01

    We perform a statistical analysis of models with SU(5) and flipped SU(5) gauge group in a type II orientifold setup. We investigate the distribution and correlation of properties of these models, including the number of generations and the hidden sector gauge group. Compared to the recent analysis [F. Gmeiner, R. Blumenhagen, G. Honecker, D. Lüst, and T. Weigand, J. High Energy Phys.JHEPFG1029-8479 01 (2006) 004; F. Gmeiner, Fortschr. Phys.FPYKA60015-8208 54, 391 (2006).10.1088/1126-6708/2006/01/004] of models with a standard model-like gauge group, we find very similar results.

  20. Controlling FAMA by the Ptolemy II model of ion beam transport

    NASA Astrophysics Data System (ADS)

    Balvanović, R.; Rađenović, B.; Beličev, P.; Nešković, N.

    2009-08-01

    FAMA is a facility for modification and analysis of materials with ion beams. Due to the wide range of ion beams and energies used in the facility and its future expansion, the need has arisen for faster tuning of ion beams transport control parameters. With this aim, a new approach to modeling ion-beam transport system was developed, based on the Ptolemy II modeling and design framework. A model in Ptolemy II is a hierarchical aggregation of components called actors, which communicate with other actors using tokens, or pieces of data. Each ion optical element is modeled by a composite actor implementing beam matrix transformation function, while tokens carry beam matrix data. A basic library of models of typical ion optical elements is developed, and a complex model of FAMA ion beam transport system is hierarchically integrated with bottom-up approach. The model is extended to include control functions. The developed model is modular, flexible and extensible. The results obtained by simulation on the model demonstrate easy and efficient tuning of beam line control parameters. Fine tuning of control parameters, due to uncertainties inherent to modeling, still has to be performed on-line.

  1. Development and comparison of a TOPAZ-II system model with experimental data

    SciTech Connect

    Paramonov, D.V.; El-Genk, M.S. . Inst. for Space Nuclear Power Studies)

    1994-11-01

    An integrated model of the TOPAZ-II space nuclear reactor system is developed and compared with measurements from the TOPAZ-II, V-71 unit tests. For a given reactor thermal power, the model calculates the coolant flow rate, temperature, and pressure throughout the system; load electric power; and overall system efficiency. Model predictions showed good agreement with the experimental data. The calculated coolant temperatures and pressure are within 15 K (< 2%) and 12% of the measurements, respectively. Analysis showed that at the nominal operating thermal power of the system (115 kW), and NaK coolant is highly subcooled. The largest subcooling of 365 K occurs at the exit of the electromagnetic pump, where coolant pressure is highest, and the lowest subcooling of 275 K occurs at the exit of the reactor core, where coolant temperature is highest.

  2. Comparing Geant4 hadronic models for the WENDI-II rem meter response function.

    PubMed

    Vanaudenhove, T; Dubus, A; Pauly, N

    2013-01-01

    The WENDI-II rem meter is one of the most popular neutron dosemeters used to assess a useful quantity of radiation protection, namely the ambient dose equivalent. This is due to its high sensitivity and its energy response that approximately follows the conversion function between neutron fluence and ambient dose equivalent in the range of thermal to 5 GeV. The simulation of the WENDI-II response function with the Geant4 toolkit is then perfectly suited to compare low- and high-energy hadronic models provided by this Monte Carlo code. The results showed that the thermal treatment of hydrogen in polyethylene for neutron <4 eV has a great influence over the whole detector range. Above 19 MeV, both Bertini Cascade and Binary Cascade models show a good correlation with the results found in the literature, while low-energy parameterised models are not suitable for this application.

  3. Mn(II) and Cu(II) complexes of a bidentate Schiff's base ligand: Spectral, thermal, molecular modelling and mycological studies

    NASA Astrophysics Data System (ADS)

    Tyagi, Monika; Chandra, Sulekh; Tyagi, Prateek

    2014-01-01

    Complexes of manganese(II) and copper(II) of general composition M(L)2X2 have been synthesized [L = 2-acetyl thiophene thiosemicarbazone and X = Cl- and NO3-]. The elemental analysis, molar conductance measurements, magnetic susceptibility measurements, mass, IR, UV, NMR and EPR spectral studies of the compounds led to the conclusion that the ligand acts as a bidentate manner. The Schiff's base ligand forms hexacoordinated complexes having octahedral geometry for Mn(II) and tetragonal geometry for Cu(II) complexes. The thermal studies suggested that the complexes are more stable as compared to ligand. In molecular modelling the geometries of Schiff's base and metal complexes were fully optimized with respect to the energy using the 6-31g(d,p) basis set. The mycological studies of the compounds were examined against the plant pathogenic fungi i.e. Rhizoctonia bataticola, Macrophomina phaseolina, Fusarium odum.

  4. Reactive Transport Modeling of Microbe-mediated Fe (II) Oxidation for Enhanced Oil Recovery

    NASA Astrophysics Data System (ADS)

    Surasani, V.; Li, L.

    2011-12-01

    Microbially Enhanced Oil Recovery (MEOR) aims to improve the recovery of entrapped heavy oil in depleted reservoirs using microbe-based technology. Reservoir ecosystems often contain diverse microbial communities those can interact with subsurface fluids and minerals through a network of nutrients and energy fluxes. Microbe-mediated reactions products include gases, biosurfactants, biopolymers those can alter the properties of oil and interfacial interactions between oil, brine, and rocks. In addition, the produced biomass and mineral precipitates can change the reservoir permeability profile and increase sweeping efficiency. Under subsurface conditions, the injection of nitrate and Fe (II) as the electron acceptor and donor allows bacteria to grow. The reaction products include minerals such as Fe(OH)3 and nitrogen containing gases. These reaction products can have large impact on oil and reservoir properties and can enhance the recovery of trapped oil. This work aims to understand the Fe(II) oxidation by nitrate under conditions relevant to MEOR. Reactive transport modeling is used to simulate the fluid flow, transport, and reactions involved in this process. Here we developed a complex reactive network for microbial mediated nitrate-dependent Fe (II) oxidation that involves both thermodynamic controlled aqueous reactions and kinetic controlled Fe (II) mineral reaction. Reactive transport modeling is used to understand and quantify the coupling between flow, transport, and reaction processes. Our results identify key parameter controls those are important for the alteration of permeability profile under field conditions.

  5. Modeling Cu(II) Binding to Peptides Using the Extensible Systematic Force Field

    PubMed Central

    Ryvkin, Faina; Greenaway, Frederick T.

    2010-01-01

    The utility of the extensible systematic force field (ESFF) was tested for copper(II) binding to a 34-amino-acid Cu(II) peptide, which includes five histidine residues and is the putative copper-binding site of lysyl oxidase. To improve computational efficiency, distance geometry calculations were used to constrain all combinations of three histidine ligands to be within bonding distance of the copper and the best results were utilized as starting structures for the ESFF computations. All likely copper geometries were modeled, but the results showed only a small dependence on the geometrical model in that all resulted in a distorted square pyramidal geometry about the copper, some of the imidazole rings were poorly oriented for ligation to the Cu(II), and the copper-nitrogen bond distances were too long. The results suggest that ESFF should be used with caution for Cu(II) complexes where the copper-ligand bonds have significant covalency and when the ligands are not geometrically constrained to be planar. PMID:20300581

  6. Chronic resveratrol reverses a mild angiotensin II-induced pressor effect in a rat model.

    PubMed

    Gordish, Kevin L; Beierwaltes, William H

    2016-01-01

    Resveratrol is reported to reduce blood pressure in animal models of hypertension, but the mechanisms are unknown. We have shown that resveratrol infusion increases sodium excretion. We hypothesized that chronic ingestion of resveratrol would reduce angiotensin II (Ang II)-induced increases in blood pressure by decreasing oxidative stress and by also decreasing sodium reabsorption through a nitric oxide-dependent mechanism. We infused rats with vehicle or 80 μg Ang II/d over 4 weeks. Vehicle or Ang II-infused rats were individually housed, pair fed, and placed on a diet of normal chow or normal chow plus 146 mg resveratrol/d. Groups included 1) control, 2) resveratrol-fed, 3) Ang II-treated, and 4) Ang II plus resveratrol. Systolic blood pressure was measured by tail cuff. During the 4th week, rats were placed in metabolic caging for urine collection. NO2/NO3 and 8-isoprostane excretion were measured. Ang II increased systolic blood pressure in the 1st week by +14±5 mmHg (P<0.05) in Group 3 and +10±3 mmHg (P<0.05) in Group 4, respectively. Blood pressure was unchanged in Groups 1 and 2. After 4 weeks, blood pressure remained elevated in Group 3 rats with Ang II (+9±3 mmHg, P<0.05), but in Group 4, blood pressure was no longer elevated (+2±2 mmHg). We found no significant differences between the groups in sodium excretion or cumulative sodium balance (18.49±0.12, 17.75±0.16, 17.97±0.17, 18.46±0.18 μEq Na+/7 d in Groups 1-4, respectively). Urinary excretion of NO2/NO3 in the four groups was 1) 1631±207 μmol/24 h, 2) 1045±236 μmol/24 h, 3) 1490±161 μmol/24 h, and 4) 609±17 μmol/24 h. 8-Isoprostane excretion was 1) 63.85±19.39 nmol/24 h, 2) 73.57±22.02 nmol/24 h, 3) 100.69±37.62 nmol/24 h, and 4) 103.00±38.88 nmol/24 h. We conclude that chronic resveratrol supplementation does not blunt Ang II-increased blood pressure, and while resveratrol has mild depressor effects, these do not seem to be due to natriuresis or enhanced renal nitric oxide

  7. Chronic resveratrol reverses a mild angiotensin II-induced pressor effect in a rat model

    PubMed Central

    Gordish, Kevin L; Beierwaltes, William H

    2016-01-01

    Resveratrol is reported to reduce blood pressure in animal models of hypertension, but the mechanisms are unknown. We have shown that resveratrol infusion increases sodium excretion. We hypothesized that chronic ingestion of resveratrol would reduce angiotensin II (Ang II)-induced increases in blood pressure by decreasing oxidative stress and by also decreasing sodium reabsorption through a nitric oxide-dependent mechanism. We infused rats with vehicle or 80 μg Ang II/d over 4 weeks. Vehicle or Ang II-infused rats were individually housed, pair fed, and placed on a diet of normal chow or normal chow plus 146 mg resveratrol/d. Groups included 1) control, 2) resveratrol-fed, 3) Ang II-treated, and 4) Ang II plus resveratrol. Systolic blood pressure was measured by tail cuff. During the 4th week, rats were placed in metabolic caging for urine collection. NO2/NO3 and 8-isoprostane excretion were measured. Ang II increased systolic blood pressure in the 1st week by +14±5 mmHg (P<0.05) in Group 3 and +10±3 mmHg (P<0.05) in Group 4, respectively. Blood pressure was unchanged in Groups 1 and 2. After 4 weeks, blood pressure remained elevated in Group 3 rats with Ang II (+9±3 mmHg, P<0.05), but in Group 4, blood pressure was no longer elevated (+2±2 mmHg). We found no significant differences between the groups in sodium excretion or cumulative sodium balance (18.49±0.12, 17.75±0.16, 17.97±0.17, 18.46±0.18 μEq Na+/7 d in Groups 1–4, respectively). Urinary excretion of NO2/NO3 in the four groups was 1) 1631±207 μmol/24 h, 2) 1045±236 μmol/24 h, 3) 1490±161 μmol/24 h, and 4) 609±17 μmol/24 h. 8-Isoprostane excretion was 1) 63.85±19.39 nmol/24 h, 2) 73.57±22.02 nmol/24 h, 3) 100.69±37.62 nmol/24 h, and 4) 103.00±38.88 nmol/24 h. We conclude that chronic resveratrol supplementation does not blunt Ang II-increased blood pressure, and while resveratrol has mild depressor effects, these do not seem to be due to natriuresis or enhanced renal nitric oxide

  8. Unique model evokes the supination/pronation deficits found after Mason II fractures.

    PubMed

    Miller, Mark Carl; Kuxhaus, Laurel; Cowgill, Mandy L; Cook, Harold A; Druschel, Michael; Palmer, Bradley; Baratz, Mark E

    2015-03-01

    A rapid prototyping model of Mason II fracture was used to investigate baseline recommendations for surgical intervention founded on kinematic forearm rotational blockage. Exact replicas of the radial heads in nine cadaveric specimens were produced and specimens were tested in a physiologic elbow simulator. After testing supination/pronation, the rotations were repeated with native replicas and with replicas modeling 3 mm depressed Mason II fractures with and without a gap of 1 mm between the body and fragment. The fragments were located circumferentially around the radial head at 10, 2 and 6 o'clock positions. There was no statistical difference between the range of motion of the native case and the native replica without fracture. After inclusion of the fracture, seven of the nine specimens showed rotational blockages. A two-way ANOVA found no statistical difference due to type of Mason II fracture (p > 0.87) or fracture location (p > 0.27). A χ-square analysis showed that presence of a kinematic deficit with a fractured radial head was significant (p < 0.03). The results support continued surgical intervention for a 3 mm depressed fracture and also establish the use of the rapid prototype as a model for kinematic investigation of fractures in a cadaveric model when ligamentous attachments are preserved.

  9. SAGE II aerosol data validation based on retrieved aerosol model size distribution from SAGE II aerosol measurements

    NASA Technical Reports Server (NTRS)

    Wang, Pi-Huan; Mccormick, M. P.; Mcmaster, L. R.; Chu, W. P.; Swissler, T. J.; Osborn, M. T.; Russell, P. B.; Oberbeck, V. R.; Livingston, J.; Rosen, J. M.

    1989-01-01

    Consideration is given to aerosol correlative measurements experiments for the Stratospheric Aerosol and Gas Experiment (SAGE) II, conducted between November 1984 and July 1986. The correlative measurements were taken with an impactor/laser probe, a dustsonde, and an airborne 36-cm lidar system. The primary aerosol quantities measured by the ground-based instruments are compared with those calculated from the aerosol size distributions from SAGE II aerosol extinction measurements. Good agreement is found between the two sets of measurements.

  10. Paraquat-induced injury of type II alveolar cells. An in vitro model of oxidant injury

    SciTech Connect

    Skillrud, D.M.; Martin, W.J.

    1984-06-01

    Paraquat, a widely used herbicide, causes severe, often fatal lung damage. In vivo studies suggest the alveolar epithelial cells (types I and II) are specific targets of paraquat toxicity. This study used /sup 51/Cr-labeled type II cells to demonstrate that paraquat (10-5 M) resulted in type II cell injury in vitro, independent of interacting immune effector agents. With /sup 51/Cr release expressed as the cytotoxic index (Cl), type II cell injury was found to accelerate with increasing paraquat concentrations (10(-5) M, 10(-4) M, and 10(-3) M, resulting in a Cl of 12.5 +/- 2.2, 22.8 +/- 1.8, and 35.1 +/- 1.9, respectively). Paraquat-induced cytotoxicity (10(-4) M, with a Cl of 22.8 +/- 1.8) was effectively reduced by catalase 1,100 U/ml (Cl 8.0 +/- 3.2, p less than 0.001), superoxide dismutase, 300 U/ml (Cl 17.4 +/- 1.7, p less than 0.05), alpha tocopherol, 10 micrograms/ml (Cl 17.8 +/- 1.6, p less than 0.05). Paraquat toxicity (10(-3) M) was potentiated in the presence of 95% O2 with an increase in Cl from 31.1 +/- 1.7 to 36.4 +/- 2.3 (p less than 0.05). Paraquat-induced type II cell injury was noted as early as 4 h incubation by electron microscopic evidence of swelling of mitochondrial cristae and dispersion of nuclear chromatin. Thus, this in vitro model indicates that paraquat-induced type II cell injury can be quantified, confirmed by morphologic ultrastructural changes, significantly reduced by antioxidants, and potentiated by hyperoxia.

  11. Sorption speciation of nickel(II) onto Ca-montmorillonite: batch, EXAFS techniques and modeling.

    PubMed

    Tan, XiaoLi; Hu, Jun; Montavon, Gilles; Wang, XiangKe

    2011-11-01

    The sorption speciation of Ni(II) on Ca-montmorillonite was evaluated using a combination of batch experiments, extended X-ray absorption fine structure (EXAFS) spectroscopy and modeling. The pH and temperature at the aqueous-montmorillonite interface affects both the extent of Ni(II) sorption as well as the local atomic structure of the adsorbed Ni(II) ions. At 0.001 mol L(-1) Ca(NO(3))(2) and low pH, the study reveals that the majority of Ni(II) is adsorbed in the interlayers of Ca-montmorillonite coordinated by six water molecules in an octahedron as an outer-sphere complex. At higher pH, inner-sphere surface complexes are formed. The Ni-Si/Al distances (R(Ni-Al) = 3.00 Å, R(Ni-Si1) = 3.10 Å and R(Ni-Si2) = 3.26 Å) determined by EXAFS confirm the formation of mononuclear complexes located at the edges of Ca-montmorillonite platelets at pH 7.5 and 8.5. At pH 10.0, the Ni-Ni/Si distances (R(Ni-Ni) = 3.07 Å and R(Ni-Si) = 3.26 Å) indicates the formation of Ni-phyllosilicate precipitates. A rise in temperature promotes inner-sphere complexation, which in turn leads to an increase in Ni(II) sorption on Ca-montmorillonite. Sorption edges are fitted excellently by surface complexation model (SCM) with the aid of surface species determined from EXAFS spectroscopy. PMID:21918750

  12. Electric field obtained from an elliptic critical-state model for anisotropic type-II superconductors

    NASA Astrophysics Data System (ADS)

    Romero-Salazar, C.; Hernández-Flores, O. A.

    2016-02-01

    The conventional elliptic critical-state models (ECSM) establish that the electric field vector is zero when it flows a critical current density in a type-II superconductor. This proposal incorporates a finite electric field on the ECSM to study samples with anisotropic-current-carrying capacity. Our theoretical scheme has the advantage of being able to dispense of a material law which drives the electric field magnitude, however, it does not consider the magnetic history of the superconductor.

  13. Detailed p- and s-wave velocity models along the LARSE II transect, Southern California

    USGS Publications Warehouse

    Murphy, J.M.; Fuis, G.S.; Ryberg, T.; Lutter, W.J.; Catchings, R.D.; Goldman, M.R.

    2010-01-01

    Structural details of the crust determined from P-wave velocity models can be improved with S-wave velocity models, and S-wave velocities are needed for model-based predictions of strong ground motion in southern California. We picked P- and S-wave travel times for refracted phases from explosive-source shots of the Los Angeles Region Seismic Experiment, Phase II (LARSE II); we developed refraction velocity models from these picks using two different inversion algorithms. For each inversion technique, we calculated ratios of P- to S-wave velocities (VP/VS) where there is coincident P- and S-wave ray coverage.We compare the two VP inverse velocity models to each other and to results from forward modeling, and we compare the VS inverse models. The VS and VP/VS models differ in structural details from the VP models. In particular, dipping, tabular zones of low VS, or high VP/VS, appear to define two fault zones in the central Transverse Ranges that could be parts of a positive flower structure to the San Andreas fault. These two zones are marginally resolved, but their presence in two independent models lends them some credibility. A plot of VS versus VP differs from recently published plots that are based on direct laboratory or down-hole sonic measurements. The difference in plots is most prominent in the range of VP = 3 to 5 km=s (or VS ~ 1:25 to 2:9 km/s), where our refraction VS is lower by a few tenths of a kilometer per second from VS based on direct measurements. Our new VS - VP curve may be useful for modeling the lower limit of VS from a VP model in calculating strong motions from scenario earthquakes.

  14. The XAS model of dissolved Cu(II) and its significance to biological electron transfer

    NASA Astrophysics Data System (ADS)

    Frank, Patrick; Benfatto, Maurizio; Hedman, Britt; Hodgson, Keith O.

    2009-11-01

    The standard model for dissolved Cu(II) portrays the complex ion as an axially elongated, equatorially planar octahedron. Using EXAFS and MXAN analyses of copper K-edge XAS spectra, new structural models for dissolved [Cu(aq)]2+ and [Cu(amm)]2+ have been determined. These structures uniformly depart from the octahedral model in favour of an axially elongated square pyramidal core. MXAN results also indicate that the equatorial ligands need not be coplanar with copper. Further structural elements include a -z axially localized scatterer at ~3 Å. Even more distant scatterers imply second shell solvent organization, which can vary with the medium. Preliminary results from new extended, k = 18 Å-1, higher resolution copper K-edge XAS data sets are reported. The low symmetry of dissolved Cu(II) ion contradicts the central thesis of the rack-induced bonding hypothesis of copper electron transfer proteins. The asymmetry of biological copper is not a frozen vibronic excited state enforced by a rigid protein scaffold, but is entirely in harmony with the structural ground state of the dissolved aqueous Cu(II) complex ion.

  15. Neutrinoless double beta decay in type I+II seesaw models

    NASA Astrophysics Data System (ADS)

    Borah, Debasish; Dasgupta, Arnab

    2015-11-01

    We study neutrinoless double beta decay in left-right symmetric extension of the standard model with type I and type II seesaw origin of neutrino masses. Due to the enhanced gauge symmetry as well as extended scalar sector, there are several new physics sources of neutrinoless double beta decay in this model. Ignoring the left-right gauge boson mixing and heavy-light neutrino mixing, we first compute the contributions to neutrinoless double beta decay for type I and type II dominant seesaw separately and compare with the standard light neutrino contributions. We then repeat the exercise by considering the presence of both type I and type II seesaw, having non-negligible contributions to light neutrino masses and show the difference in results from individual seesaw cases. Assuming the new gauge bosons and scalars to be around a TeV, we constrain different parameters of the model including both heavy and light neutrino masses from the requirement of keeping the new physics contribution to neutrinoless double beta decay amplitude below the upper limit set by the GERDA experiment and also satisfying bounds from lepton flavor violation, cosmology and colliders.

  16. A series of Ni(II)-flavonolate complexes as structural and functional ES (enzyme-substrate) models of the Ni(II)-containing quercetin 2,3-dioxygenase.

    PubMed

    Sun, Ying-Ji; Huang, Qian-Qian; Zhang, Jian-Jun

    2014-05-01

    Ni(II)-flavonolate complexes [Ni(II)L(R)(fla)] (L(R)H: 2-{[bis(pyridin-2-ylmethyl)amino]methyl}-p/m-R-benzoic acid, R: p-OMe (1), p-Me (2), m-Br (4) and m-NO2 (5), fla: flavonolate) were synthesized and characterized with relevance to structural and functional models for the ES (enzyme-substrate) adduct of the Ni(II)-containing quercetin 2,3-dioxygenase (2,3-QD). Their structures, spectroscopic features, redox properties and the reactivity toward molecular oxygen have been investigated. The complexes show a similar distorted octahedral structure and higher enzyme-type dioxygenation reactivity than other reported metal-flavonolate complexes in the oxidative O-heterocyclic ring-opening of the bound substrate flavonolate at lower temperature owing to the introduced carboxylate group in the supporting model ligands. The reaction rate shows first-order dependence on both of the complex and O2 and the second-order rate constant k fits a Hammett linear free energy relationship (ρ = -0.71) for the substituent group in the supporting model ligand L(R). The complexes exhibit substituent group dependent structures, properties and reactivity and there are some relationship among them, which could be ascribed to the electronic nature of the substituent group via the benzoate, Ni(II) ion and O(4)=C(27)-C(21)=C(22) "electron conduit". In a word, the stronger electron donating group could induce a smaller torsion angle, larger λ(max) and lower redox potential of the bound flavonolate, making a higher reactivity finally. This study is the first example of a series of structural and functional ES models of the Ni(II)-containing 2,3-QD, providing important insights into the structure-property-reactivity relationship, the electronic substituent effects and carboxylate effects on the enzymatic reactivity and the catalytic role of the Ni(II)-containing 2,3-QD.

  17. Kinetic and isotope analyses of tetrachloroethylene and trichloroethylene degradation by model Fe(II)-bearing minerals.

    PubMed

    Liang, Xiaoming; Philp, R Paul; Butler, Elizabeth C

    2009-03-01

    The kinetics and in some cases stable carbon isotope fractionation associated with abiotic reductive dechlorination of tetrachloroethylene (PCE) and trichloroethylene (TCE) by model Fe(II)-bearing minerals present in anaerobic soils were measured. The minerals studied were chloride green rust (GR-Cl), sulfate green rust (GR-SO(4)), pyrite, magnetite, and adsorbed Fe(II) or FeS formed at the surface of goethite by treatment with dissolved Fe(II) or S(-II). We observed some abiotic transformation of PCE and TCE in every system studied, as evidenced by the presence of abiotic reaction products. Bulk enrichment factors (epsilon(bulk) values) for TCE transformation by GR-Cl and pyrite were -23.0+/-1.8 per thousand and -21.7+/-1.0 per thousand, respectively, which are more negative than reported values for microbial TCE dechlorination and could provide one means for distinguishing microbial from abiotic dechlorination of TCE in the environment. Considering the time scale of subsurface remediation technologies, including natural attenuation, minerals such as green rusts, pyrite, and magnetite have the potential to contribute to the transformation of PCE and TCE at contaminated sites. PMID:19111888

  18. Modeling of copper(II) sites in proteins based on histidyl and glycyl residues.

    PubMed

    Orfei, Marco; Alcaro, Maria Claudia; Marcon, Giordana; Chelli, Mario; Ginanneschi, Mauro; Kozlowski, Henryk; Brasuń, Justyna; Messori, Luigi

    2003-11-01

    The complexes between copper(II) and four synthetic tetrapeptides bearing a single histidine residue within the sequence (AcHGGG, AcGHGG, AcGGHG and AcGGGH, respectively), have been investigated by potentiometric and spectroscopic methods (UV-Vis, circular dichroism and electron paramagnetic resonance). Potentiometric studies in the pH range 4-12 allowed identification and quantitative determination of the species present in solution for each copper-peptide complex. In all cases, upon raising pH, copper(II) coordination starts from the imidazole nitrogen of the His; afterwards three deprotonated amide nitrogens are progressively involved in copper coordination, except in the case of AcGHGG. Based on the potentiometric and spectroscopic results, detailed molecular structures are proposed for the dominant copper(II) tetrapeptide species existing in solution, either at neutral or alkaline pH. The structural consequences of the presence and of the location of a unique histidine residue within the tetrameric sequence are specifically analyzed. Results are discussed in relation to the modeling of copper(II) binding sites in proteins, particular emphasis being devoted to the copper complexes of the prion protein. PMID:14511892

  19. Modeling of G333.6-0.2 as a spherical H II region

    NASA Technical Reports Server (NTRS)

    Rubin, R. H.; Hollenbach, D. J.; Erickson, E. F.

    1983-01-01

    The radio and IR observations of the H II region G333.6-0.2 are matched with a detailed spherical model with a density distribution which has a uniform-density core of radius 0.05 pc, a power-law intermediate zone, and a uniform-density halo. A stellar radiation field is required that is somewhat different from those predicted by available model atmospheres. Of the stellar models of Kurucz, the Teff = 34,000 K and log g = 3.5 model best fits the observed ratio of helium to hydrogen recombination lines. A good fit to all the observations in obtained with an S(2+) ionizing flux which is a factor of 20 times less than predicted by the Kurucz atmosphere. Current model atmospheres may not be appropriate because a single stable star with Teff = 34,000 K fails by at least an order of magnitude to produce the ionizing luminosity. The small radius of the constant-density core implies a short dynamical lifetime of approximately 5000 years for this spherical model; this may indicate that a nonspherical blister geometry is more appropriate for this H II region.

  20. Transient PVT measurements and model predictions for vessel heat transfer. Part II.

    SciTech Connect

    Felver, Todd G.; Paradiso, Nicholas Joseph; Winters, William S., Jr.; Evans, Gregory Herbert; Rice, Steven F.

    2010-07-01

    Part I of this report focused on the acquisition and presentation of transient PVT data sets that can be used to validate gas transfer models. Here in Part II we focus primarily on describing models and validating these models using the data sets. Our models are intended to describe the high speed transport of compressible gases in arbitrary arrangements of vessels, tubing, valving and flow branches. Our models fall into three categories: (1) network flow models in which flow paths are modeled as one-dimensional flow and vessels are modeled as single control volumes, (2) CFD (Computational Fluid Dynamics) models in which flow in and between vessels is modeled in three dimensions and (3) coupled network/CFD models in which vessels are modeled using CFD and flows between vessels are modeled using a network flow code. In our work we utilized NETFLOW as our network flow code and FUEGO for our CFD code. Since network flow models lack three-dimensional resolution, correlations for heat transfer and tube frictional pressure drop are required to resolve important physics not being captured by the model. Here we describe how vessel heat transfer correlations were improved using the data and present direct model-data comparisons for all tests documented in Part I. Our results show that our network flow models have been substantially improved. The CFD modeling presented here describes the complex nature of vessel heat transfer and for the first time demonstrates that flow and heat transfer in vessels can be modeled directly without the need for correlations.

  1. Comparative modeling of the three-dimensional structure of type II antifreeze protein.

    PubMed Central

    Sönnichsen, F. D.; Sykes, B. D.; Davies, P. L.

    1995-01-01

    Type II antifreeze proteins (AFP), which inhibit the growth of seed ice crystals in the blood of certain fishes (sea raven, herring, and smelt), are the largest known fish AFPs and the only class for which detailed structural information is not yet available. However, a sequence homology has been recognized between these proteins and the carbohydrate recognition domain of C-type lectins. The structure of this domain from rat mannose-binding protein (MBP-A) has been solved by X-ray crystallography (Weis WI, Drickamer K, Hendrickson WA, 1992, Nature 360:127-134) and provided the coordinates for constructing the three-dimensional model of the 129-amino acid Type II AFP from sea raven, to which it shows 19% sequence identity. Multiple sequence alignments between Type II AFPs, pancreatic stone protein, MBP-A, and as many as 50 carbohydrate-recognition domain sequences from various lectins were performed to determine reliably aligned sequence regions. Successive molecular dynamics and energy minimization calculations were used to relax bond lengths and angles and to identify flexible regions. The derived structure contains two alpha-helices, two beta-sheets, and a high proportion of amino acids in loops and turns. The model is in good agreement with preliminary NMR spectroscopic analyses. It explains the observed differences in calcium binding between sea raven Type II AFP and MBP-A. Furthermore, the model proposes the formation of five disulfide bridges between Cys 7 and Cys 18, Cys 35 and Cys 125, Cys 69 and Cys 100, Cys 89 and Cys 111, and Cys 101 and Cys 117.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7540906

  2. Some properties of the shape-invariant two-dimensional Scarf II model

    NASA Astrophysics Data System (ADS)

    Ioffe, M. V.; Kolevatova, E. V.; Nishnianidze, D. N.

    2015-10-01

    We consider the two-dimensional Scarf II quantum model in the framework of supersymmetric quantum mechanics. We systematize results previously obtained for this integrable system and derive some new properties. In particular, we show that the model is exactly or quasi-exactly solvable in different regions of the system parameter values. We find a degeneracy of the spectrum for some specific parameter values. We calculate the action of symmetry operators of the fourth order in momenta for arbitrary wave functions obtained using the double shape invariance.

  3. 4-nitrocatechol as a probe of a Mn(II)-dependent extradiol-cleaving catechol dioxygenase (MndD): comparison with relevant Fe(II) and Mn(II) model complexes.

    PubMed

    Reynolds, Mark F; Costas, Miquel; Ito, Masami; Jo, Du-Hwan; Tipton, A Alex; Whiting, Adam K; Que, Lawrence

    2003-02-01

    Mn(II)-dependent 3,4-dihydroxyphenylacetate 2,3-dioxygenase (MndD) is an extradiol-cleaving catechol dioxygenase from Arthrobacter globiformis that has 82% sequence identity to and cleaves the same substrate (3,4-dihydroxyphenylacetic acid) as Fe(II)-dependent 3,4-dihydroxyphenylacetate 2,3-dioxygenase (HPCD) from Brevibacterium fuscum. We have observed that MndD binds the chromophoric 4-nitrocatechol (4-NCH(2)) substrate as a dianion and cleaves it extremely slowly, in contrast to the Fe(II)-dependent enzymes which bind 4-NCH(2) mostly as a monoanion and cleave 4-NCH(2) 4-5 orders of magnitude faster. These results suggest that the monoanionic binding state of 4-NC is essential for extradiol cleavage. In order to address the differences in 4-NCH(2) binding to these enzymes, we synthesized and characterized the first mononuclear monoanionic and dianionic Mn(II)-(4-NC) model complexes as well as their Fe(II)-(4-NC) analogs. The structures of [(6-Me(2)-bpmcn)Fe(II)(4-NCH)](+), [(6-Me(3)-TPA)Mn(II)(DBCH)](+), and [(6-Me(2)-bpmcn)Mn(II)(4-NCH)](+) reveal that the monoanionic catecholate is bound in an asymmetric fashion (Delta r(metal-O(catecholate))=0.25-0.35 A), as found in the crystal structures of the E(.)S complexes of extradiol-cleaving catechol dioxygenases. Acid-base titrations of [(L)M(II)(4-NCH)](+) complexes in aprotic solvents show that the p K(a) of the second catecholate proton of 4-NCH bound to the metal center is half a p K(a) unit higher for the Mn(II) complexes than for the Fe(II) complexes. These results are in line with the Lewis acidities of the two divalent metal ions but are the opposite of the trend observed for 4-NCH(2) binding to the Mn(II)- and Fe(II)-catechol dioxygenases. These results suggest that the MndD active site decreases the second p K(a) of the bound 4-NCH(2) relative to the HPCD active site.

  4. Modeling of optical spectra of the light-harvesting CP29 antenna complex of photosystem II--part II.

    PubMed

    Feng, Ximao; Kell, Adam; Pieper, Jörg; Jankowiak, Ryszard

    2013-06-01

    Until recently, it was believed that the CP29 protein from higher plant photosystem II (PSII) contains 8 chlorophylls (Chl's) per complex (Ahn et al. Science 2008, 320, 794-797; Bassi et al. Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 10056-10061) in contrast to the 13 Chl's revealed by the recent X-ray structure (Pan et al. Nat. Struct. Mol. Biol. 2011, 18, 309-315). This disagreement presents a constraint on the interpretation of the underlying electronic structure of this complex. To shed more light on the interpretation of various experimental optical spectra discussed in the accompanying paper (part I, DOI 10.1021/jp4004328 ), we report here calculated low-temperature (5 K) absorption, fluorescence, hole-burned (HB), and 300 K circular dichroism (CD) spectra for CP29 complexes with a different number of pigments. We focus on excitonic structure and the nature of the low-energy state using modeling based on the X-ray structure of CP29 and Redfield theory. We show that the lowest energy state is mostly contributed to by a612, a611, and a615 Chl's. We suggest that in the previously studied CP29 complexes from spinach (Pieper et al. Photochem. Photobiol.2000, 71, 574-589) two Chl's could have been lost during the preparation/purification procedure, but it is unlikely that the spinach CP29 protein contains only eight Chl's, as suggested by the sequence homology-based study (Bassi et al. Proc. Natl. Acad. Sci. U.S.A.1999, 96, 10056-10061). The likely Chl's missing in wild-type (WT) CP29 complexes studied previously (Pieper et al. Photochem. Photobiol. 2000, 71, 574-589) include a615 and b607. This is why the nonresonant HB spectra shown in that reference were ~1 nm blue-shifted with the low-energy state mostly localized on about one Chl a (i.e., a612) molecule. Pigment composition of CP29 is discussed in the context of light-harvesting and excitation energy transfer.

  5. Saturation magnetization of Ni(II) in metalloproteins and model compounds

    SciTech Connect

    Sendova, M.; Day, E.P.; Kiick, K.; Johnson, M.; Ma, L.; Scott, B.; Hausinger, R.; Todd, M.; Peterson, J. Univ. of Georgia, Athens Michigan State Univ., East Lansing Univ. of Alabama, Tuscaloosa )

    1992-01-01

    The Ni(II) sites of urease (from Klebsiella aerogenes and jack bean), coenzyme F[sub 430] (from Methanobacterium thermoautotrophicum), and several model compounds having octahedral symmetry have been studied using the saturation megnetization technique. Data were collected at four fixed fields over the temperature range from 2 - 200K. Theoretical curves calculated from the spin Hamiltonian were used to fit the experimentally obtained magnetization curves. The following parameters were determined: the spine state (S), the amount of the sample in this spin state ([S]), the gyromagnetic ratio (g), and the zero field splitting parameters (D, E/D). The amount of S=1 paramagnetism of the Ni(II) sites was found to depend on the pH of the buffer and on the concentration of the protein in D[sub 2]O (for coenzyme F[sub 430]). The relationship of the strength of the ligand field to the zero field splitting parameter was studied for the model compounds. There was no evidence for exchange coupling between the two Ni(II) ions at the active sites of either plant or bacterial urease.

  6. Comparison of different models for EBCD calculation in the TJ-II Stellarator

    NASA Astrophysics Data System (ADS)

    García-Regaña, J. M.; Castejón, F.; Cappa, A.; Marushchenko, N. B.; Tereshchenko, M.

    2010-06-01

    In this work, we have compared different linear methods to estimate the electron Bernstein current drive (EBCD). The expressions for the current drive efficiency have been plugged into the ray tracing code TRUBA, which was used in previous works for electron Bernstein wave (EBW) heating studies in the TJ-II stellarator. This device is taken here as an example for this comparison. The driven current is calculated for different densities and temperatures, as well as launching directions of the heating beam, which is a critical issue in the O-X-B mode conversion scenario considered in TJ-II. The range of applicability of each model is discussed. The influence of the Ohkawa, relativistic and frictional trapping effects on the total current generated is studied by comparing the results obtained by pairs of models that include and neglect those effects. The Ohkawa effect has resulted in being the least important. Although the relativistic effects are not negligible, the main disagreement between the results arises from including or not momentum conservation and neglecting frictional trapping effects. The total EBCD current drive efficiency calculated is in all cases greater than the experimental ECCD one, previously measured in TJ-II. The results presented in this work are the guideline for future experiments in this device.

  7. Modeling and Simulation of Longitudinal Dynamics for LER-HER PEP II Rings

    SciTech Connect

    Rivetta, Claudio; Mastorides, T.; Fox, J.D.; Teytelman, D.; Van Winkle, D.; /SLAC

    2007-03-06

    A time domain modeling and simulation tool for beam-cavity interactions in LER and HER rings at PEP II are presented. The motivation for this tool is to explore the stability margins and performance limits of PEP II RF systems at higher currents and upgraded RF configurations. It also serves as test bed for new control algorithms and can define the ultimate limits of the architecture. The time domain program captures the dynamical behavior of the beam-cavity interaction based on a reduced model. The ring current is represented by macro-bunches. Multiple RF station in the ring are represented via one or two macro-cavities. Each macro-cavity captures the overall behavior of all the 2 or 4 cavity RF station. Station models include nonlinear elements in the klystron and signal processing. This allows modeling the principal longitudinal impedance control loops interacting with the longitudinal beam model. Validation of simulation tool is in progress by comparing the measured growth rates for both LER and HER rings with simulation results. The simulated behavior of both machines at high currents are presented comparing different control strategies and the effect of non-linear klystrons in the growth rates.

  8. Development of nonfibrotic left ventricular hypertrophy in an ANG II-induced chronic ovine hypertension model.

    PubMed

    Klatt, Niklas; Scherschel, Katharina; Schad, Claudia; Lau, Denise; Reitmeier, Aline; Kuklik, Pawel; Muellerleile, Kai; Yamamura, Jin; Zeller, Tanja; Steven, Daniel; Baldus, Stephan; Schäffer, Benjamin; Jungen, Christiane; Eickholt, Christian; Wassilew, Katharina; Schwedhelm, Edzard; Willems, Stephan; Meyer, Christian

    2016-09-01

    Hypertension is a major risk factor for many cardiovascular diseases and leads to subsequent concomitant pathologies such as left ventricular hypertrophy (LVH). Translational approaches using large animals get more important as they allow the use of standard clinical procedures in an experimental setting. Therefore, the aim of this study was to establish a minimally invasive ovine hypertension model using chronic angiotensin II (ANG II) treatment and to characterize its effects on cardiac remodeling after 8 weeks. Sheep were implanted with osmotic minipumps filled with either vehicle control (n = 7) or ANG II (n = 9) for 8 weeks. Mean arterial blood pressure in the ANG II-treated group increased from 87.4 ± 5.3 to 111.8 ± 6.9 mmHg (P = 0.00013). Cardiovascular magnetic resonance imaging showed an increase in left ventricular mass from 112 ± 12.6 g to 131 ± 18.7 g after 7 weeks (P = 0.0017). This was confirmed by postmortem measurement of left ventricular wall thickness which was higher in ANG II-treated animals compared to the control group (18 ± 4 mm vs. 13 ± 2 mm, respectively, P = 0.002). However, ANG II-treated sheep did not reveal any signs of fibrosis or inflammatory infiltrates as defined by picrosirius red and H&E staining on myocardial full thickness paraffin sections of both atria and ventricles. Measurements of plasma high-sensitivity C-reactive protein and urinary 8-iso-prostaglandin F2α were inconspicuous in all animals. Furthermore, multielectrode surface mapping of the heart did not show any differences in epicardial conduction velocity and heterogeneity. These data demonstrate that chronic ANG II treatment using osmotic minipumps presents a reliable, minimally invasive approach to establish hypertension and nonfibrotic LVH in sheep. PMID:27613823

  9. Large-scale Validation of AMIP II Land-surface Simulations: Preliminary Results for Ten Models

    SciTech Connect

    Phillips, T J; Henderson-Sellers, A; Irannejad, P; McGuffie, K; Zhang, H

    2005-12-01

    This report summarizes initial findings of a large-scale validation of the land-surface simulations of ten atmospheric general circulation models that are entries in phase II of the Atmospheric Model Intercomparison Project (AMIP II). This validation is conducted by AMIP Diagnostic Subproject 12 on Land-surface Processes and Parameterizations, which is focusing on putative relationships between the continental climate simulations and the associated models' land-surface schemes. The selected models typify the diversity of representations of land-surface climate that are currently implemented by the global modeling community. The current dearth of global-scale terrestrial observations makes exacting validation of AMIP II continental simulations impractical. Thus, selected land-surface processes of the models are compared with several alternative validation data sets, which include merged in-situ/satellite products, climate reanalyses, and off-line simulations of land-surface schemes that are driven by observed forcings. The aggregated spatio-temporal differences between each simulated process and a chosen reference data set then are quantified by means of root-mean-square error statistics; the differences among alternative validation data sets are similarly quantified as an estimate of the current observational uncertainty in the selected land-surface process. Examples of these metrics are displayed for land-surface air temperature, precipitation, and the latent and sensible heat fluxes. It is found that the simulations of surface air temperature, when aggregated over all land and seasons, agree most closely with the chosen reference data, while the simulations of precipitation agree least. In the latter case, there also is considerable inter-model scatter in the error statistics, with the reanalyses estimates of precipitation resembling the AMIP II simulations more than to the chosen reference data. In aggregate, the simulations of land-surface latent and sensible

  10. Synthesis, spectroscopic characterization, molecular modeling and antimicrobial activities of Mn(II), Co(II), Ni(II), Cu(II) complexes containing the tetradentate aza Schiff base ligand

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Ruchi

    2013-02-01

    Mn(II), Co(II), Ni(II), and Cu(II) complexes with a tetradentate macrocyclic ligand [1.2.5.6tetraoxo-3,4,7,8tetraaza-(1,2,3,4,5,6,7,8)tetrabenzene(L)] were synthesized and characterized by elemental analysis, molar conductance measurements, mass, nmr, i.r., electronic and e.p.r. spectral studies. All the complexes are non electrolytes in nature and may be formulated as [M(L)X2] [where, M = Mn(II), Co(II), Ni(II), Cu(II) and X = Cl-, CH3COO-]. On the basis of i.r., electronic and e.p.r. spectral studies a distorted octahedral geometry has been assigned for all complexes. The antimicrobial activities and LD50 values of the ligand and its complexes, as growth inhibiting agents, have been screened in vitro against two different species of bacteria and plant pathogenic fungi.

  11. Progresses in tritium accident modelling in the frame of IAEA EMRAS II

    SciTech Connect

    Galeriu, D.; Melintescu, A.

    2015-03-15

    The assessment of the environmental impact of tritium release from nuclear facilities is a topic of interest in many countries. In the IAEA's Environmental Modelling for Radiation Safety (EMRAS I) programme, progresses for routine releases were done and in the EMRAS II programme a dedicated working group (WG 7 - Tritium Accidents) focused on the potential accidental releases (liquid and atmospheric pathways). The progresses achieved in WG 7 were included in a complex report - a technical document of IAEA covering both liquid and atmospheric accidental release consequences. A brief description of the progresses achieved in the frame of EMRAS II WG 7 is presented. Important results have been obtained concerning washout rate, the deposition on the soil of HTO and HT, the HTO uptake by leaves and the subsequent conversion to OBT (organically bound tritium) during daylight. Further needs of the processes understanding and the experimental efforts are emphasised.

  12. Zn(II)-curcumin protects against hemorheological alterations, oxidative stress and liver injury in a rat model of acute alcoholism.

    PubMed

    Yu, Chuan; Mei, Xue-Ting; Zheng, Yan-Ping; Xu, Dong-Hui

    2014-03-01

    Curcumin can chelate metal ions, forming metallocomplexes. We compared the effects of Zn(II)-curcumin with curcumin against hemorheological alterations, oxidative stress and liver injury in a rat model of acute alcoholism. Oral administration of Zn(II)-curcumin dose-dependently prevented the ethanol-induced elevation of serum malondialdehyde (MDA) content and reductions in glutathione level and superoxide dismutase (SOD) activity. Zn(II)-curcumin also inhibited ethanol-induced liver injury. Additionally, Zn(II)-curcumin dose-dependently inhibited hemorheological abnormalities, including the ethanol-induced elevation of whole blood viscosity, plasma viscosity, blood viscosity at corrected hematocrit (45%), erythrocyte aggregation index, erythrocyte rigidity index and hematocrit. Compared to curcumin at the same dose, Zn(II)-curcumin more effectively elevated SOD activity, ameliorated liver injury and improved hemorheological variables. These results suggest that Zn(II)-curcumin protected the rats from ethanol-induced liver injury and hemorheological abnormalities via the synergistic effect of curcumin and zinc.

  13. The impact of a human IGF-II analog ([Leu27]IGF-II) on fetal growth in a mouse model of fetal growth restriction

    PubMed Central

    Charnock, Jayne C.; Dilworth, Mark R.; Aplin, John D.; Sibley, Colin P.; Westwood, Melissa

    2015-01-01

    Enhancing placental insulin-like growth factor (IGF) availability appears to be an attractive strategy for improving outcomes in fetal growth restriction (FGR). Our approach was the novel use of [Leu27]IGF-II, a human IGF-II analog that binds the IGF-II clearance receptor IGF-IIR in fetal growth-restricted (FGR) mice. We hypothesized that the impact of [Leu27]IGF-II infusion in C57BL/6J (wild-type) and endothelial nitric oxide synthase knockout (eNOS−/−; FGR) mice would be to enhance fetal growth and investigated this from mid- to late gestation; 1 mg·kg−1·day−1 [Leu27]IGF-II was delivered via a subcutaneous miniosmotic pump from E12.5 to E18.5. Fetal and placental weights recorded at E18.5 were used to generate frequency distribution curves; fetuses <5th centile were deemed growth restricted. Placentas were harvested for immunohistochemical analysis of the IGF system, and maternal serum was collected for measurement of exogenously administered IGF-II. In WT pregnancies, [Leu27]IGF-II treatment halved the number of FGR fetuses, reduced fetal(P = 0.028) and placental weight variations (P = 0.0032), and increased the numbers of pups close to the mean fetal weight (131 vs. 112 pups within 1 SD). Mixed-model analysis confirmed litter size to be negatively correlated with fetal and placental weight and showed that [Leu27]IGF-II preferentially improved fetal weight in the largest litters, as defined by number. Unidirectional 14CMeAIB transfer per gram placenta (System A amino acid transporter activity) was inversely correlated with fetal weight in [Leu27]IGF-II-treated WT animals (P < 0.01). In eNOS−/− mice, [Leu27]IGF-II reduced the number of FGR fetuses(1 vs. 5 in the untreated group). The observed reduction in FGR pup numbers in both C57 and eNOS−/− litters suggests the use of this analog as a means of standardizing and rescuing fetal growth, preferentially in the smallest offspring. PMID:26530156

  14. Modelling the Pan-Spectral Energy Distribution of Starburst Galaxies: II. Control of the H II Region Parameters

    SciTech Connect

    Dopita, M A; Fischera, J; Sutherland, R S; Kewley, L J; Tuffs, R J; Popescu, C C; van Breugel, W; Groves, B A; Leitherer, C

    2006-03-01

    We examine from a theoretical viewpoint how the physical parameters of H II regions are controlled both in normal galaxies and in starburst environments. These parameters are the H II region luminosity function, the time-dependent size, the covering fraction of molecular clouds, the pressure in the ionized gas and the ionization parameter. The factors which control them are the initial mass function of the exciting stars, the cluster mass function, the metallicity and the mean pressure in the surrounding interstellar medium. We investigate the sensitivity of the H{alpha} luminosity to the IMF, and find that this can translate to about 30% variation in derived star formation rates. The molecular cloud dissipation timescale is estimated from a case study of M17 to be {approx} 1 Myr. Based upon H II luminosity function fitting for nearby galaxies, we propose that the cluster mass function has a log-normal form peaking at {approx} 185M{sub {circle_dot}}. This suggests that the cluster mass function is the continuation of the stellar IMF to higher mass. The pressure in the H II regions is controlled by the mechanical luminosity flux from the central cluster. Since this is closely related to the ionizing photon flux, we show that the ionization parameter is not a free variable, and that the diffuse ionized medium may be composed of many large, faint and old H II regions. Finally, we derive theoretical probability distributions for the ionization parameter as a function of metallicity and compare these to those derived for SDSS galaxies.

  15. Development and Verification of a TOPAZ-II Electromagnetic Pump Model

    NASA Astrophysics Data System (ADS)

    El-Genk, Mohamed S.; Paramonov, Dmitry V.

    1994-07-01

    An integrated model of the TOPAZ-II electromagnetic (EM) pump is developed and incorporated into the Thermionic Transient Analysis Model (TITAM). The magnetic field strength of the induction coil depends not only on the current supplied by the pump TFEs, but also on the temperature of the coil. All electric and thermal properties of the coolant, wall material of pump ducts, and the electric leads are taken to be temperature dependent. The pump model is benchmarked with experimental data at different coolant temperatures. Results show the pump model to be in good agreement with experimental data. The maximum deviation in the mass flow predictions obtained at different coolant temperatures and pump currents is less than 0.1 kg/s.

  16. Modeling anisoplanatism in the Keck II laser guide star AO system

    NASA Astrophysics Data System (ADS)

    Fitzgerald, Michael P.; Witzel, Gunther; Britton, Matthew C.; Ghez, Andrea M.; Meyer, Leo; Sitarski, Breann N.; Cheng, Carina; Becklin, Eric E.; Campbell, Randall D.; Do, Tuan; Lu, Jessica R.; Matthews, Keith; Morris, Mark R.; Neyman, Christopher R.; Tyler, Glenn A.; Wizinowich, Peter L.; Yelda, Sylvana

    2012-07-01

    Anisoplanatism is a primary source of photometric and astrometric error in single-conjugate adaptive optics. We present initial results of a project to model the off-axis optical transfer function in the adaptive optics system at the Keck II telescope. The model currently accounts for the effects of atmospheric anisoplanatism in natural guide star observations. The model for the atmospheric contribution to the anisoplanatic transfer function uses contemporaneous MASS/ DIMM measurements. Here we present the results of a validation campaign using observations of naturally guided visual binary stars under varying conditions, parameterized by the r0 and θ0 parameters of the C2n atmospheric turbulence profile. We are working to construct a model of the instrumental field-dependent aberrations in the NIRC2 camera using an artificial source in the Nasmyth focal plane. We also discuss our plans to extend the work to laser guide star operation.

  17. Models of H II regions - Heavy element opacity, variation of temperature

    NASA Technical Reports Server (NTRS)

    Rubin, R. H.

    1985-01-01

    A detailed set of H II region models that use the same physics and self-consistent input have been computed and are used to examine where in parameter space the effects of heavy element opacity is important. The models are briefly described, and tabular data for the input parameters and resulting properties of the models are presented. It is found that the opacities of C, Ne, O, and to a lesser extent N play a vital role over a large region of parameter space, while S and Ar opacities are negligible. The variation of the average electron temperature T(e) of the models with metal abundance, density, and T(eff) is investigated. It is concluded that by far the most important determinator of T(e) is metal abundance; an almost 7000 K difference is expected over the factor of 10 change from up to down abundances.

  18. A GLOBAL MODEL OF THE LIGHT CURVES AND EXPANSION VELOCITIES OF TYPE II-PLATEAU SUPERNOVAE

    SciTech Connect

    Pejcha, Ondřej; Prieto, Jose L.

    2015-02-01

    We present a new self-consistent and versatile method that derives photospheric radius and temperature variations of Type II-Plateau supernovae based on their expansion velocities and photometric measurements. We apply the method to a sample of 26 well-observed, nearby supernovae with published light curves and velocities. We simultaneously fit ∼230 velocity and ∼6800 mag measurements distributed over 21 photometric passbands spanning wavelengths from 0.19 to 2.2 μm. The light-curve differences among the Type II-Plateau supernovae are well modeled by assuming different rates of photospheric radius expansion, which we explain as different density profiles of the ejecta, and we argue that steeper density profiles result in flatter plateaus, if everything else remains unchanged. The steep luminosity decline of Type II-Linear supernovae is due to fast evolution of the photospheric temperature, which we verify with a successful fit of SN 1980K. Eliminating the need for theoretical supernova atmosphere models, we obtain self-consistent relative distances, reddenings, and nickel masses fully accounting for all internal model uncertainties and covariances. We use our global fit to estimate the time evolution of any missing band tailored specifically for each supernova, and we construct spectral energy distributions and bolometric light curves. We produce bolometric corrections for all filter combinations in our sample. We compare our model to the theoretical dilution factors and find good agreement for the B and V filters. Our results differ from the theory when the I, J, H, or K bands are included. We investigate the reddening law toward our supernovae and find reasonable agreement with standard R{sub V}∼3.1 reddening law in UBVRI bands. Results for other bands are inconclusive. We make our fitting code publicly available.

  19. Prognostic and Predictive Model for Stage II Colon Cancer Patients With Nonemergent Surgery

    PubMed Central

    Zhang, Chun-Dong; Wang, Ji-Nan; Sui, Bai-Qiang; Zeng, Yong-Ji; Chen, Jun-Qing; Dai, Dong-Qiu

    2016-01-01

    Abstract No ideal prognostic model has been applied to clearly identify which suitable high-risk stage II colon cancer patients with negative margins undergoing nonemergent surgery should receive adjuvant chemotherapy routinely. Clinicopathologic and prognostic data of 333 stage II colon cancer patients who underwent D2 or D3 lymphadenectomy during nonemergent surgery were retrospectively analyzed. Four pathologically determined factors, including adjacent organ involvement (RR 2.831, P = 0.001), histologic differentiation (RR 2.151, P = 0.009), lymphovascular invasion (RR 4.043, P < 0.001), and number of lymph nodes retrieved (RR 2.161, P = 0.011), were identified as independent prognostic factors on multivariate analysis. Importantly, a simple cumulative scoring system clearly categorizing prognostic risk groups was generated: risk score = ∑ coefficient’ × status (AOI + histological differentiated + lymphovascular invasion + LNs retrieved). Our new prognostic model may provide valuable information on the impact of lymphovascular invasion, as well as powerfully and reliably predicting prognosis and recurrence for this particular cohort of patients. This model may identify suitable patients with an R0 resection who should receive routine postoperative adjuvant therapy and may help clinicians to facilitate individualized treatment. In this study, we aim to provide an ideal and quantifiable method for clinical decision making in the nonemergent surgical treatment of stage II colon cancer. Our prognostic and predictive model should be applied in multicenter, prospective studies with large sample sizes, in order to obtain a more reliable clinical recommendation. PMID:26735527

  20. Visual imagery and the user model applied to fuel handling at EBR-II

    SciTech Connect

    Brown-VanHoozer, S.A.

    1995-06-01

    The material presented in this paper is based on two studies involving visual display designs and the user`s perspective model of a system. The studies involved a methodology known as Neuro-Linguistic Programming (NLP), and its use in expanding design choices which included the ``comfort parameters`` and ``perspective reality`` of the user`s model of the world. In developing visual displays for the EBR-II fuel handling system, the focus would be to incorporate the comfort parameters that overlap from each of the representation systems: visual, auditory and kinesthetic then incorporate the comfort parameters of the most prominent group of the population, and last, blend in the other two representational system comfort parameters. The focus of this informal study was to use the techniques of meta-modeling and synesthesia to develop a virtual environment that closely resembled the operator`s perspective of the fuel handling system of Argonne`s Experimental Breeder Reactor - II. An informal study was conducted using NLP as the behavioral model in a v reality (VR) setting.

  1. Removal of Cd(II), Zn(II) and Pb(II) from aqueous solutions by brown marine macro algae: kinetic modelling.

    PubMed

    Freitas, Olga M M; Martins, Ramiro J E; Delerue-Matos, Cristina M; Boaventura, Rui A R

    2008-05-01

    Specific marine macro algae species abundant at the Portuguese coast (Laminaria hyperborea, Bifurcaria bifurcata, Sargassum muticum and Fucus spiralis) were shown to be effective for removing toxic metals (Cd(II), Zn(II) and Pb(II)) from aqueous solutions. The initial metal concentrations in solution were about 75-100 mg L(-1). The observed biosorption capacities for cadmium, zinc and lead ions were in the ranges of 23.9-39.5, 18.6-32.0 and 32.3-50.4 mg g(-1), respectively. Kinetic studies revealed that the metal uptake rate was rather fast, with 75% of the total amount occurring in the first 10 min for all algal species. Experimental data were well fitted by a pseudo-second order rate equation. The contribution of internal diffusion mechanism was significant only to the initial biosorption stage. Results indicate that all the studied macro algae species can provide an efficient and cost-effective technology for eliminating heavy metals from industrial effluents. PMID:17935878

  2. Unsymmetrical Fe(III)Co(II) and Ga(III)Co(II) complexes as chemical hydrolases: biomimetic models for purple acid phosphatases (PAPs).

    PubMed

    Xavier, Fernando R; Neves, Ademir; Casellato, Annelise; Peralta, Rosely A; Bortoluzzi, Adailton J; Szpoganicz, Bruno; Severino, Patricia C; Terenzi, Hernán; Tomkowicz, Zbigniew; Ostrovsky, Sergei; Haase, Wolfgang; Ozarowski, Andrew; Krzystek, Jerzy; Telser, Joshua; Schenk, Gerhard; Gahan, Lawrence R

    2009-08-17

    The design and development of suitable biomimetic catalytic systems capable of mimicking the functional properties of enzymes continues to be a challenge for bioinorganic chemists. In this study, we report on the synthesis, X-ray structures, and physicochemical characterization of the novel isostructural [Fe(III)Co(II)(BPBPMP)(mu-OAc)(2)]ClO(4) (1) and [Ga(III)Co(II)(BPBPMP)(mu-OAc)(2)]ClO(4) (2) complexes with the unsymmetrical dinucleating ligand H(2)BPBPMP (2-bis[{(2-pyridyl-methyl)-aminomethyl}-6-{(2-hydroxy-benzyl)-(2-pyridyl-methyl)}-aminomethyl]-4-methylphenol). The previously reported complex [Fe(III)Zn(II)(BPBPMP)(mu-OAc)(2)]ClO(4) (3) was investigated here by electron paramagnetic resonance for comparison with such studies on 1 and 2. A magneto-structural correlation between the exchange parameter J (cm(-1)) and the average bond lengh d (A) of the [Fe(III)-O-M(II)] structural unit for 1 and for related isostructural Fe(III)M(II) complexes using the correlation J = -10(7) exp(-6.8d) reveals that this parameter is the major factor that determines the degree of antiferromagnetic coupling in the series [(BPBPMP)Fe(III)(mu-OAc)(2)M(II)](+) (M(II) = Mn, Fe, Co, Ni) of complexes. Potentiometric and spectrophotometric titrations along with electronic absorption studies show that, in aqueous solution, complexes 1 and 2 generate the [(HO)M(III)(mu-OH)Co(II)(H(2)O)] complex as the catalytically active species in diester hydrolysis reactions. Kinetic studies on the hydrolysis of the model substrate bis(2,4-dinitrophenyl)phosphate by 1 and 2 show Michaelis-Menten behavior, with 2 being 35% more active than 1. In combination with k(H)/k(D) isotope effects, the kinetic studies suggest a mechanism in which a terminal M(III)-bound hydroxide is the hydrolysis-initiating nucleophilic catalyst. In addition, the complexes show maximum catalytic activity in DNA hydrolysis near physiological pH. The modest reactivity difference between 1 and 2 is consistent with the slightly

  3. The structural and geochemical constraints for the Fe(II)-Fe(III)-Mg(II) "fougerite" green rust: Moessbauer, XAS studies and solid solution modelling

    NASA Astrophysics Data System (ADS)

    Trolard, F.; Bourrié, G.

    2003-04-01

    Fe(II)-Fe(III) green rust was identified in soil as a natural mineral, for which the name "fougerite" was proposed. XAS and Mössbauer studies show that there is a partial substitution of Fe(II) by Mg(II), which leads to the general formula: [FeII1-xFeIII_xMgII_y(OH)2+2y]+x[x OH^- \\cdot (1-x+y)H_2O]-x. The regular binary solid solution model proposed previously must be extended as ternary. Assuming ideal substitution between Mg(II) and Fe(II), the chemical potential of the solid solution is obtained as: μ= X1μ 1o+X2μ 2o+X3μ 3o +RT[X_1 ln X_1 + X_2ln X_2+ X_3 ln X_3]+A12X_2(1-X_2). All experimental data show that the mole ration X_2= Fe(III)/[Fe{total} + Mg] is constrained (i) structurally to X_2<= 1/3 and (ii) geochemically to X_2 >= 1/4. Assuming that μ of GRs is minimum in this range leads to the equation: A12 = frac{[μ_1 o - μ_2 o - RT ln(frac{X2,min}{1-X2,min})]}{(1-2X2,min)}. The chemical potentials of pure Fe(OH)_2 and Mg(OH)_2 are known, but the end-member Fe(OH)_3 is virtual, so that μ_2 o is not measurable. A linear relationship is obtained between the Gibbs free energy of formation of GRs, normalized to 1 atom Fe, and the electronegativity of the interlayer anion, as: frac{μ^o}{n} = -76.887 χ -491.5206, r^2= 0.9985, N=4, from which the chemical potential of the mineral μ is obtained and all the thermodynamic parameters of the model are determined as: μ_1 o = -489.8 kJmol-1 for Fe(OH)_2, μ_2 o = +119 kJmol-1 for Fe(OH)_3 (virtual), μ_3 o = -833.67 kJmol-1 for Mg(OH)_2, and A12 = -1455.8 kJmol-1 (non-ideality parameter).

  4. Time-dependent toroidal compactification proposals and the Bianchi type II model: Classical and quantum solutions

    NASA Astrophysics Data System (ADS)

    Socorro, J.; Toledo Sesma, L.

    2016-03-01

    In this work we construct an effective four-dimensional model by compactifying a ten-dimensional theory of gravity coupled with a real scalar dilaton field on a time-dependent torus without the contributions of fluxes as first approximation. This approach is applied to anisotropic cosmological Bianchi type II model for which we study the classical coupling of the anisotropic scale factors with the two real scalar moduli produced by the compactification process. Also, we present some solutions to the corresponding Wheeler-DeWitt (WDW) equation in the context of Standard Quantum Cosmology and we claim that these quantum solution are generic in the moduli scalar field for all Bianchi Class A models. Also we give the relation to these solutions for asymptotic behavior to large argument in the corresponding quantum solution in the gravitational variables and compare with Bohm's solutions, finding that this corresponds to the lowest-order WKB approximation.

  5. Testing the littlest Higgs model with T-parity at the LHC Run-II

    NASA Astrophysics Data System (ADS)

    Cao, Qing-Hong; Chen, Chuan-Ren; Liu, Yandong

    2016-09-01

    We study the littlest Higgs model with T-parity (LHT) in the process of p p →WH+WH-→W+W-AHAH at the 14 TeV LHC. With the W -jet tagging technique, we demonstrate that the bulk of the model parameter space can be probed at the level of more than 5 σ in the signature of two fat W jets plus large missing energy. Furthermore, we propose a novel strategy of measuring the principle parameter f that is crucial to test the LHT model and to fix mass spectrum, including the dark matter particle. Our proposal can be easily incorporated into the current experimental program of diboson searches at the LHC Run-II.

  6. Chance-constrained/stochastic linear programming model for acid rain abatement—II. Limited colinearity

    NASA Astrophysics Data System (ADS)

    Ellis, J. H.; McBean, E. A.; Farquhar, G. J.

    In Part I of this work, a deterministic model for development of acid rain abatement strategies was extended to a stochastic form through the incorporation of uncertainty in the transfer coefficients which describe long-range pollutant transport and transformation. The two extreme cases of: (i) complete dependence between transfer coefficients (i.e. colinearity); (ii) complete independence (noncolinearity) were developed. In this work, a more realistic 'middle ground' between these two extremes is investigated. This approach and its associated transfer coefficient covariance structure involve limited colinearity. A simplified linear version of the limited colinearity optimization model is employed. An application is presented which shows that a central three-state, one-receptor sub-system ('sub-airshed') in eastern North America plays a dominant role with respect to determining overall system performance characteristics. Nonlinear, nonlinearnonseparable and multiobjective extensions of the stochastic model are discussed.

  7. A hybrid phenomenological model for ferroelectroelastic ceramics. Part II: Morphotropic PZT ceramics

    NASA Astrophysics Data System (ADS)

    Stark, S.; Neumeister, P.; Balke, H.

    2016-10-01

    In this part II of a two part series, the rate-independent hybrid phenomenological constitutive model introduced in part I is modified to account for the material behavior of morphotropic lead zirconate titanate ceramics (PZT ceramics). The modifications are based on a discussion of the available literature results regarding the micro-structure of these materials. In particular, a monoclinic phase and a highly simplified representation of the hierarchical structure of micro-domains and nano-domains observed experimentally are incorporated into the model. It is shown that experimental data for the commercially available morphotropic PZT material PIC151 (PI Ceramic GmbH, Lederhose, Germany) can be reproduced and predicted based on the modified hybrid model.

  8. Modeling of oxygen transport and cell killing in type-II photodynamic therapy.

    PubMed

    Gkigkitzis, Ioannis; Feng, Yuanming; Yang, Chunmei; Lu, Jun Q; Hu, Xin-Hua

    2012-01-01

    Photodynamic therapy (PDT) provides an effective option for treatment of tumors and other diseases in superficial tissues and attracts attention for in vitro study with cells. In this study, we present a significantly improved model of in vitro cell killing through Type-II PDT for simulation of the molecular interactions and cell killing in time domain in the presence of oxygen transport within a spherical cell. The self-consistency of the approach is examined by determination of conditions for obtaining positive definitive solutions of molecular concentrations. Decay constants of photosensitizers and unoxidized receptors are extracted as the key indices of molecular kinetics with different oxygen diffusion constants and permeability at the cell membrane. By coupling the molecular kinetics to cell killing, we develop a modeling method of PDT cytotoxicity caused by singlet oxygen and obtain the cell survival ratio as a function of light fluence or initial photosensitizer concentration with different photon density or irradiance of incident light and other parameters of oxygen transport. The results show that the present model of Type-II PDT yields a powerful tool to quantitate various events underlying PDT at the molecular and cellular levels and to interpret experimental results of in vitro cell studies.

  9. Hierarchical competition models with the Allee effect II: the case of immigration.

    PubMed

    Assas, Laila; Dennis, Brian; Elaydi, Saber; Kwessi, Eddy; Livadiotis, George

    2015-01-01

    This is part II of an earlier paper that dealt with hierarchical models with the Allee effect but with no immigration. In this paper, we greatly simplify the proofs in part I and provide a proof of the global dynamics of the non-hyperbolic cases that were previously conjectured. Then, we show how immigration to one of the species or to both would, drastically, change the dynamics of the system. It is shown that if the level of immigration to one or to both species is above a specified level, then there will be no extinction region where both species go to extinction.

  10. Introduction of LL-IV Distributed Hydrological Model and Applications in DMIP-II

    NASA Astrophysics Data System (ADS)

    Li, L.; Zhang, H.; Yang, M.; Nicholson, A.

    2011-12-01

    Watershed hydrological models are an important tool for understanding hydrological processes on the earth, and they have been developed from empirical models to stochastic models, to lumped conceptual models, and finally to distributed conceptual models. Among them, the distributed hydrological model with physical bases is a great milestone in the development of hydrological models. The Hydrology Laboratory of the US National Weather Service paid high attention to the applications of distributed hydrological models. This department has proposed the Distributed Model Intercomparison Projects (DMIP-I and DMIP-II) since 2001, which made a major contribution to the development of distributed hydrological models. This paper introduces the development of the LL (Lan Li) distributed hydrological model, which produced satisfactory results in both DMIP-I and DIMP-II. LL-IV is the latest version of the LL distributed hydrological model and its basic equations and structures are detailed in this paper. LL-IV, for the first time, derives convection-diffusion equations for the interflow (in both saturated and unsaturated conditions) and underground flow. In addition, this model describes soil humidity, evaporation from soil, infiltration, overland flow, stream flow etc. by convection-diffusion equations. The advantages of using convection-diffusion equations in LL-IV to represent water cycle process for either the vertical change in a single grid or water interchange between grids are as follows: (1) Convection-diffusion equations require fewer variables compared with St. Venant equations. Whole and continuous data of the velocity and water stage, for example, are not usually available for most watersheds, which limits the application of distributed hydrological model. For LL-IV, however, these data are not always necessary when simulating. (2) LL-IV improves computational efficiency and requires less memory space by using convection-diffusion equations which focus mainly on

  11. Comprehensive and Macrospin-Based Magnetic Tunnel Junction Spin Torque Oscillator Model- Part II: Verilog-A Model Implementation

    NASA Astrophysics Data System (ADS)

    Chen, Tingsu; Eklund, Anders; Iacocca, Ezio; Rodriguez, Saul; Malm, B. Gunnar; Akerman, Johan; Rusu, Ana

    2015-03-01

    The rapid development of the magnetic tunnel junction (MTJ) spin torque oscillator (STO) technology demands an analytical model to enable building MTJ STO-based circuits and systems so as to evaluate and utilize MTJ STOs in various applications. In Part I of this paper, an analytical model based on the macrospin approximation, has been introduced and verified by comparing it with the measurements of three different MTJ STOs. In Part II, the full Verilog-A implementation of the proposed model is presented. To achieve a reliable model, an approach to reproduce the phase noise generated by the MTJ STO has been proposed and successfully employed. The implemented model yields a time domain signal, which retains the characteristics of operating frequency, linewidth, oscillation amplitude and DC operating point, with respect to the magnetic field and applied DC current. The Verilog-A implementation is verified against the analytical model, providing equivalent device characteristics for the full range of biasing conditions. Furthermore, a system that includes an MTJ STO and CMOS RF circuits is simulated to validate the proposed model for system- and circuit-level designs. The simulation results demonstrate that the proposed model opens the possibility to explore STO technology in a wide range of applications.

  12. Modelling the Pan-Spectral Energy Distribution of Starburst Galaxies: III. Emission Line Diagnostics of Ensembles of H II Regions

    SciTech Connect

    Dopita, M A; Fischera, J; Sutherland, R S; Kewley, L J; Leitherer, C; Tuffs, R J; Popescu, C C; van Breugel, W; Groves, B A

    2006-05-10

    We have built, as far as possible, fully self-consistent models of H II regions around aging clusters of stars. These produce strong emission line diagnostics applicable to either individual H II regions in galaxies, or to the integrated emission line spectra of disk or starburst galaxies. The models assume that the expansion and internal pressure of individual H II regions is driven by the net input of mechanical energy from the central cluster, be it through winds or supernova events. This eliminates the ionization parameter as a free variable, replacing it with a parameter which depends on the ratio of the cluster mass to the pressure in the surrounding interstellar medium. These models explain why H II regions with low abundances have high excitation, and demonstrate that at least part of the warm ionized medium is the result of overlapping faint, old, large, and low pressure H II regions. We present a number of line ratios (at both optical and IR wavelengths) that provide reliable abundance diagnostics for either single H II regions or for integrated galaxy spectra, and others that are sensitive to the age of the cluster stars exciting individual H II regions.

  13. Type II Supernova Energetics and Comparison of Light Curves to Shock-cooling Models

    NASA Astrophysics Data System (ADS)

    Rubin, Adam; Gal-Yam, Avishay; De Cia, Annalisa; Horesh, Assaf; Khazov, Danny; Ofek, Eran O.; Kulkarni, S. R.; Arcavi, Iair; Manulis, Ilan; Yaron, Ofer; Vreeswijk, Paul; Kasliwal, Mansi M.; Ben-Ami, Sagi; Perley, Daniel A.; Cao, Yi; Cenko, S. Bradley; Rebbapragada, Umaa D.; Woźniak, P. R.; Filippenko, Alexei V.; Clubb, K. I.; Nugent, Peter E.; Pan, Y.-C.; Badenes, C.; Howell, D. Andrew; Valenti, Stefano; Sand, David; Sollerman, J.; Johansson, Joel; Leonard, Douglas C.; Horst, J. Chuck; Armen, Stephen F.; Fedrow, Joseph M.; Quimby, Robert M.; Mazzali, Paulo; Pian, Elena; Sternberg, Assaf; Matheson, Thomas; Sullivan, M.; Maguire, K.; Lazarevic, Sanja

    2016-03-01

    During the first few days after explosion, Type II supernovae (SNe) are dominated by relatively simple physics. Theoretical predictions regarding early-time SN light curves in the ultraviolet (UV) and optical bands are thus quite robust. We present, for the first time, a sample of 57 R-band SN II light curves that are well-monitored during their rise, with \\gt 5 detections during the first 10 days after discovery, and a well-constrained time of explosion to within 1-3 days. We show that the energy per unit mass (E/M) can be deduced to roughly a factor of five by comparing early-time optical data to the 2011 model of Rabinak & Waxman, while the progenitor radius cannot be determined based on R-band data alone. We find that SN II explosion energies span a range of E/M = (0.2-20) × 1051 erg/(10 {M}⊙ ), and have a mean energy per unit mass of < E/M> =0.85× {10}51 erg/(10 {M}⊙ ), corrected for Malmquist bias. Assuming a small spread in progenitor masses, this indicates a large intrinsic diversity in explosion energy. Moreover, E/M is positively correlated with the amount of 56Ni produced in the explosion, as predicted by some recent models of core-collapse SNe. We further present several empirical correlations. The peak magnitude is correlated with the decline rate ({{Δ }}{m}15), the decline rate is weakly correlated with the rise time, and the rise time is not significantly correlated with the peak magnitude. Faster declining SNe are more luminous and have longer rise times. This limits the possible power sources for such events.

  14. Type II supernova energetics and comparison of light curves to shock-cooling models

    DOE PAGES

    Rubin, Adam; Gal-Yam, Avishay; De Cia, Annalisa; Horesh, Assaf; Khazov, Danny; Ofek, Eran O.; Kulkarni, S. R.; Arcavi, Iair; Manulis, Ilan; Yaron, Ofer; et al

    2016-03-16

    During the first few days after explosion, Type II supernovae (SNe) are dominated by relatively simple physics. Theoretical predictions regarding early-time SN light curves in the ultraviolet (UV) and optical bands are thus quite robust. We present, for the first time, a sample of 57 R-band SN II light curves that are well-monitored during their rise, withmore » $$\\gt 5$$ detections during the first 10 days after discovery, and a well-constrained time of explosion to within 1–3 days. We show that the energy per unit mass (E/M) can be deduced to roughly a factor of five by comparing early-time optical data to the 2011 model of Rabinak & Waxman, while the progenitor radius cannot be determined based on R-band data alone. We find that SN II explosion energies span a range of E/M = (0.2–20) × 1051 erg/(10 $${M}_{\\odot }$$), and have a mean energy per unit mass of $$\\langle E/M\\rangle =0.85\\times {10}^{51}$$ erg/(10 $${M}_{\\odot }$$), corrected for Malmquist bias. Assuming a small spread in progenitor masses, this indicates a large intrinsic diversity in explosion energy. Moreover, E/M is positively correlated with the amount of 56Ni produced in the explosion, as predicted by some recent models of core-collapse SNe. We further present several empirical correlations. The peak magnitude is correlated with the decline rate ($${\\rm{\\Delta }}{m}_{15}$$), the decline rate is weakly correlated with the rise time, and the rise time is not significantly correlated with the peak magnitude. Faster declining SNe are more luminous and have longer rise times. Lastly, this limits the possible power sources for such events.« less

  15. A multimedia fate and chemical transport modeling system for pesticides: II. Model evaluation

    NASA Astrophysics Data System (ADS)

    Li, Rong; Scholtz, M. Trevor; Yang, Fuquan; Sloan, James J.

    2011-07-01

    Pesticides have adverse health effects and can be transported over long distances to contaminate sensitive ecosystems. To address problems caused by environmental pesticides we developed a multimedia multi-pollutant modeling system, and here we present an evaluation of the model by comparing modeled results against measurements. The modeled toxaphene air concentrations for two sites, in Louisiana (LA) and Michigan (MI), are in good agreement with measurements (average concentrations agree to within a factor of 2). Because the residue inventory showed no soil residues at these two sites, resulting in no emissions, the concentrations must be caused by transport; the good agreement between the modeled and measured concentrations suggests that the model simulates atmospheric transport accurately. Compared to the LA and MI sites, the measured air concentrations at two other sites having toxaphene soil residues leading to emissions, in Indiana and Arkansas, showed more pronounced seasonal variability (higher in warmer months); this pattern was also captured by the model. The model-predicted toxaphene concentration fraction on particles (0.5-5%) agrees well with measurement-based estimates (3% or 6%). There is also good agreement between modeled and measured dry (1:1) and wet (within a factor of less than 2) depositions in Lake Ontario. Additionally this study identified erroneous soil residue data around a site in Texas in a published US toxaphene residue inventory, which led to very low modeled air concentrations at this site. Except for the erroneous soil residue data around this site, the good agreement between the modeled and observed results implies that both the US and Mexican toxaphene soil residue inventories are reasonably good. This agreement also suggests that the modeling system is capable of simulating the important physical and chemical processes in the multimedia compartments.

  16. Radial electric field computations with DKES and neoclassical models in TJ-II stellarator

    NASA Astrophysics Data System (ADS)

    Martinell, Julio; Gutierrez-Tapia, Cesar; Lopez-Bruna, Daniel

    2015-11-01

    Radial electric fields arise due to the non-ambipolar transport in stellarator plasmas and play an important role in determining some improved confinement regimes. In order to calculate this electric field it is necessary to take all particle fluxes that are not ambipolar. The most important contribution to these fluxes comes from neoclassical transport. Here we use particle fluxes obtained from kinetic equation computations using the code DKES to evaluate the radial electric field profiles for certain discharges of the heliac TJ-II. Experimental profiles for the density and temperatures are used together with the diffusion coefficients obtained with DKES. A similar computation of the electric field is performed with three analytical neoclassical models that use an approximation for the magnetic geometry. The ambipolar electric field from the models is compared with the one given by DKES and we find that they are all qualitatively similar. They are also compared with experimental measurements of the electric field obtained with HIBP. It is shown that, although the electric field is reasonably well reproduced by the neoclassical computations, especially in high temperature regimes, the particle fluxes are not. Thus, neoclassical theory provides good Er estimates in TJ-II. Support from CONACyT 152905 and DGAPA IN109115 projects is acknowledged.

  17. Blooms' separation of the final exam of Engineering Mathematics II: Item reliability using Rasch measurement model

    NASA Astrophysics Data System (ADS)

    Fuaad, Norain Farhana Ahmad; Nopiah, Zulkifli Mohd; Tawil, Norgainy Mohd; Othman, Haliza; Asshaari, Izamarlina; Osman, Mohd Hanif; Ismail, Nur Arzilah

    2014-06-01

    In engineering studies and researches, Mathematics is one of the main elements which express physical, chemical and engineering laws. Therefore, it is essential for engineering students to have a strong knowledge in the fundamental of mathematics in order to apply the knowledge to real life issues. However, based on the previous results of Mathematics Pre-Test, it shows that the engineering students lack the fundamental knowledge in certain topics in mathematics. Due to this, apart from making improvements in the methods of teaching and learning, studies on the construction of questions (items) should also be emphasized. The purpose of this study is to assist lecturers in the process of item development and to monitor the separation of items based on Blooms' Taxonomy and to measure the reliability of the items itself usingRasch Measurement Model as a tool. By using Rasch Measurement Model, the final exam questions of Engineering Mathematics II (Linear Algebra) for semester 2 sessions 2012/2013 were analysed and the results will provide the details onthe extent to which the content of the item providesuseful information about students' ability. This study reveals that the items used in Engineering Mathematics II (Linear Algebra) final exam are well constructed but the separation of the items raises concern as it is argued that it needs further attention, as there is abig gap between items at several levels of Blooms' cognitive skill.

  18. Analysis of TOPAZ II and SPACE-R space nuclear power plants using a modified thermionic model

    SciTech Connect

    Habedank, O.D.

    1993-03-01

    Models based on the TDS thermionic diode model were developed for the TOPAZ II and SPACE-R nuclear power systems. Due to computer code limitations inherent in the TDS model, only the TOPAZ II system model ran successfully. Several parameter studies were conducted on the TOPAZ II model. These studies determined system performance and efficiency while varying the following: (1) the coolant flow inlet temperatures; (2) the rate of coolant temperature change; (3) the power profile of the core; and (4) the cesium reservoir temperature. Analysis of the results indicate that the model accurately represented the TOPAZ II system, underestimating published data by 10%. Coolant flow parameter studies indicate that raising coolant flow temperatures up to 100 K higher increases system power by put to 5%. Additional increases in temperature result in gradual performance degradation. Varying the axial power profile of the core from the actual peaked profile to a flat profile results in a negligible 0.3% change in total system performance. The peaked profile used in TOPAZ II produces the highest system efficiency of all the profiles modeled. The cesium pressure study indicates that the system is operating above optimum cesium pressure and that system performance is strongly dependent on cesium pressure. Increasing cesium reservoir temperature above design temperature by 30 K decreases system efficiency by 30%.

  19. Mathematics in Marine Botany: Examples of the Modelling Process. Part II: Continuous Models.

    ERIC Educational Resources Information Center

    Nyman, Melvin A.; Brown, Murray T.

    1996-01-01

    Describes some continuous models for growth of the seaweed Macrocystis pyrifera. Uses observed growth rates over several months to derive first-order differential equations as models for growth rates of individual fronds. The nature of the solutions is analyzed and comparison between these theoretical results and documented characteristics of…

  20. The Formation of IRIS Diagnostics. V. A Quintessential Model Atom of C II and General Formation Properties of the C II Lines at 133.5 nm

    NASA Astrophysics Data System (ADS)

    Rathore, Bhavna; Carlsson, Mats

    2015-10-01

    The C ii 133.5 {nm} lines are important observables for the NASA/SMEX mission Interface Region Imaging Spectrograph. To make three-dimensional (3D) non-LTE radiative transfer computationally feasible, it is crucial to have a model atom with as few levels as possible while retaining the main physical processes. We here develop such a model atom and we study the general formation properties of the C ii lines. We find that a nine-level model atom of C i-C iii with the transitions treated assuming complete frequency redistribution (CRD) suffices to describe the C ii 133.5 {nm} lines. 3D scattering effects are important for the intensity in the core of the line. The lines are formed in the optically thick regime. The core intensity is formed in layers where the temperature is about 10 kK at the base of the transition region. The lines are 1.2-4 times wider than the atomic absorption profile due to the formation in the optically thick regime. The smaller opacity broadening happens for single peak intensity profiles where the chromospheric temperature is low with a steep source function increase into the transition region, the larger broadening happens when there is a temperature increase from the photosphere to the low chromosphere leading to a local source function maximum and a double peak intensity profile with a central reversal. Assuming optically thin formation with the standard coronal approximation leads to several errors: neglecting photoionization severly underestimates the amount of C ii at temperatures below 16 kK, erroneously shifts the formation from 10 kK to 25 kK, and leads to too low intensities.

  1. Modeling FAMA ion beam diagnostics based on the Ptolemy II model

    NASA Astrophysics Data System (ADS)

    Balvanović, R.; Beličev, P.; Radjenović, B.

    2012-10-01

    The previously developed model of ion beam transport control of the FAMA facility is further enhanced by equipping it with the model of ion beam diagnostics. The model of control, executing once, is adjusted so that it executes in iterative mode, where each iteration samples the input beam normally distributed over initial phase space and calculates a single trajectory through the facility beam lines. The model takes into account only the particles that manage to pass through all the beam line apertures, emulating in this way a Faraday cup and a beam profile meter. Generated are also beam phase space distributions and horizontal and vertical beam profiles at the end of the beam transport lines the FAMA facility consists of. By adding the model of ion beam diagnostics to the model of ion beam transport control, the process of determining optimal ion beam control parameters is eased and speeded up, and the understanding of influence of control parameters on the ion beam characteristics is improved.

  2. Uncalibrated modelling of conservative tracer and pesticide leaching to groundwater: comparison of potential Tier II exposure assessment models.

    PubMed

    Fox, Garey A; Sabbagh, George J; Chen, Wenlin; Russell, Mark H

    2006-06-01

    The Root Zone Water Quality Model (RZWQM) and Pesticide Root Zone Model (PRZM) are currently being considered by the Office of Pesticide Programs (OPP) in the United States Environmental Protection Agency (US EPA) for Tier II screening of pesticide leaching to groundwater (November 2005). The objective of the present research was to compare RZWQM and PRZM based on observed conservative tracer and pesticide pore water and soil concentrations collected in two unique groundwater leaching studies in North Carolina and Georgia. These two sites had been used previously by the Federal Insecticide, Fungicide and Rodenticide Act (FIFRA) Environmental Model Validation Task Force (EMVTF) in the validation of PRZM. As in the FIFRA EMVTF PRZM validation, 'cold' modelling using input parameters based on EPA guidelines/databases and 'site-specific' modelling using field-measured soil and hydraulic parameters were performed with a recently released version of RZWQM called RZWQM-NAWQA (National Water Quality Assessment). Model calibration was not performed for either the 'cold' or 'site-specific' modelling. The models were compared based on predicted pore water and soil concentrations of bromide and pesticides throughout the soil profile. Both models tended to predict faster movement through the soil profile than observed. Based on a quantitative normalised objective function (NOF), RZWQM-NAWQA generally outperformed or was equivalent to PRZM in simulating pore water and soil concentrations. Both models were more successful in predicting soil concentrations (i.e. NOF < 1.0 for site-specific data, which satisfies site-specific applicability) than they were at predicting pore water concentrations.

  3. Final Report for Dynamic Models for Causal Analysis of Panel Data. Models for Change in Quantitative Variables, Part II Scholastic Models. Part II, Chapter 4.

    ERIC Educational Resources Information Center

    Hannan, Michael T.

    This document is part of a series of chapters described in SO 011 759. Stochastic models for the sociological analysis of change and the change process in quantitative variables are presented. The author lays groundwork for the statistical treatment of simple stochastic differential equations (SDEs) and discusses some of the continuities of…

  4. Multiscale modeling, simulations, and experiments of coating growth on nanofibers. Part II. Deposition

    SciTech Connect

    Buldum, A.; Clemons, C.B.; Dill, L.H.; Kreider, K.L.; Young, G.W.; Zheng, X.; Evans, E.A.; Zhang, G.; Hariharan, S.I.

    2005-08-15

    This work is Part II of an integrated experimental/modeling investigation of a procedure to coat nanofibers and core-clad nanostructures with thin-film materials using plasma-enhanced physical vapor deposition. In the experimental effort, electrospun polymer nanofibers are coated with aluminum materials under different operating conditions to observe changes in the coating morphology. This procedure begins with the sputtering of the coating material from a target. Part I [J. Appl. Phys. 98, 044303 (2005)] focused on the sputtering aspect and transport of the sputtered material through the reactor. That reactor level model determines the concentration field of the coating material. This field serves as input into the present species transport and deposition model for the region surrounding an individual nanofiber. The interrelationships among processing factors for the transport and deposition are investigated here from a detailed modeling approach that includes the salient physical and chemical phenomena. Solution strategies that couple continuum and atomistic models are used. At the continuum scale, transport dynamics near the nanofiber are described. At the atomic level, molecular dynamics (MD) simulations are used to study the deposition and sputtering mechanisms at the coating surface. Ion kinetic energies and fluxes are passed from the continuum sheath model to the MD simulations. These simulations calculate sputtering and sticking probabilities that in turn are used to calculate parameters for the continuum transport model. The continuum transport model leads to the definition of an evolution equation for the coating-free surface. This equation is solved using boundary perturbation and level set methods to determine the coating morphology as a function of operating conditions.

  5. Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

    NASA Astrophysics Data System (ADS)

    Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D.

    2016-08-01

    This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

  6. Unified Model of Type I and Type II Turbulence in the Equitorial E-Layer Plasma

    NASA Astrophysics Data System (ADS)

    Horton, W., Jr.; Hassan, E.; Smolyakov, A.; Litt, S.; Hatch, D. R.

    2014-12-01

    A new unified two-fluid model for the E-layer for the Type I and Type II plasma instabilities is developed and simulated for the nonlinear dynamics of the electron density, the electric fields, and ion fluid acceleration. Profiles and parameters are taken from the IRI data for the equitorial region ionosphere. Large, spectral simulations for the turbulence and the coherent structures are carried out. The fields are recorded for each sub-second time step in both physical space and wavenubmer space. The growth rate has two peaks in horizontal wavenumber and the nonlinear cascades go both to small scales [~10cm] and large scales [~10-50m]. Horizontal and vertical wavenumber spectra are shown as well as the isotropized energy spectrum of k-n. The S4 scintillation index computed from the density fluctuations and the PDFs for intermittency from the density fluctuations are computed. The PDFs and the net electron density fluxes are computed. Examples are run where the upward density gradient (Type II) is the dominant instability mechanism.

  7. Neutrino masses and leptogenesis in type I and type II seesaw models

    NASA Astrophysics Data System (ADS)

    Borah, Debasish; Das, Mrinal Kumar

    2014-07-01

    The baryon to photon ratio in the present Universe is very accurately measured to be (6.065±0.090)×10-10. We study the possible origin of this baryon asymmetry in the neutrino sector through the generic mechanism of baryogenesis through leptogenesis. We consider both the type I and type II seesaw origin of neutrino masses within the framework of left-right symmetric models (LRSM). Using the latest best-fit global neutrino oscillation data of mass squared differences, mixing angles and Dirac CP phase, we compute the predictions for baryon to photon ratio keeping the Majorana CP phases as free parameters for two different choices of lightest neutrino mass eigenvalue for both normal and inverted hierarchical patterns of neutrino masses. We do our calculation with and without lepton flavor effects being taken into account. We choose different diagonal Dirac neutrino mass matrix for different flavor effects in such a way that the lightest right-handed neutrino mass is in the appropriate range. We also study the predictions for baryon asymmetry when the neutrino masses arise from a combination of both type I and type II seesaw (with dominating type I term) and discriminate between several combinations of Dirac and Majorana CP phases by demanding successful predictions for baryon asymmetry.

  8. Modeling char oxidation behavior under Zone II burning conditions at elevated pressures

    SciTech Connect

    Ma, L.Q.; Mitchell, R.

    2009-01-15

    For accurate modeling of the coal combustion process at elevated pressures, account must be made for variations in char-particle structure. As pressure is increased, particle swelling increases during the devolatilization of certain bituminous coals, yielding a variety of char-particle structures, from uniform high-density particles to thin-walled non-uniform low-density particles having large internal void volumes. Since under Zone II burning conditions the char conversion rate depends upon the accessibility of the internal surfaces, the char structure plays a key role in determining particle burnout times. In our approach to characterize the impact of char structure on particle burning rates, effectiveness factors appropriate for thin-walled cenospherical particles and thick-walled particles having a few large cavities are defined and related to the effectiveness factor for uniform high-density particles that have no large voids, only a random distribution of pores having a mean pore size in the sub-micron range. For the uniform case, the Thiele modulus approach is used to account for Zone 11 type burning in which internal burning is limited by the combined effects of pore diffusion and the intrinsic chemical reactivity of the carbonaceous material. In the paper, the impact of having a variety of char structures in a mix of particles burning under Zone II burning conditions is demonstrated.

  9. Emergency Response Equipment and Related Training: Airborne Radiological Computer System (Model II)

    SciTech Connect

    David P. Colton

    2007-02-28

    The materials included in the Airborne Radiological Computer System, Model-II (ARCS-II) were assembled with several considerations in mind. First, the system was designed to measure and record the airborne gamma radiation levels and the corresponding latitude and longitude coordinates, and to provide a first overview look of the extent and severity of an accident's impact. Second, the portable system had to be light enough and durable enough that it could be mounted in an aircraft, ground vehicle, or watercraft. Third, the system must control the collection and storage of the data, as well as provide a real-time display of the data collection results to the operator. The notebook computer and color graphics printer components of the system would only be used for analyzing and plotting the data. In essence, the provided equipment is composed of an acquisition system and an analysis system. The data can be transferred from the acquisition system to the analysis system at the end of the data collection or at some other agreeable time.

  10. MODELING THE NEAR-UV BAND OF GK STARS. II. NON-LTE MODELS

    SciTech Connect

    Ian Short, C.; Campbell, Eamonn A.; Pickup, Heather; Hauschildt, Peter H. E-mail: yeti@hs.uni-hamburg.de

    2012-03-10

    We present a grid of atmospheric models and synthetic spectral energy distributions (SEDs) for late-type dwarfs and giants of solar and 1/3 solar metallicity with many opacity sources computed in self-consistent non-local thermodynamic equilibrium (NLTE), and compare them to the LTE grid of Short and Hauschildt (Paper I). We describe, for the first time, how the NLTE treatment affects the thermal equilibrium of the atmospheric structure (T({tau}) relation) and the SED as a finely sampled function of T{sub eff}, log g, and [A/H] among solar metallicity and mildly metal-poor red giants. We compare the computed SEDs to the library of observed spectrophotometry described in Paper I across the entire visible band, and in the blue and red regions of the spectrum separately. We find that for the giants of both metallicities, the NLTE models yield best-fit T{sub eff} values that are 30-90 K lower than those provided by LTE models, while providing greater consistency between log g values, and, for Arcturus, T{sub eff} values, fitted separately to the blue and red spectral regions. There is marginal evidence that NLTE models give more consistent best-fit T{sub eff} values between the red and blue bands for earlier spectral classes among the solar metallicity GK giants than they do for the later classes, but no model fits the blue-band spectrum well for any class. For the two dwarf spectral classes that we are able to study, the effect of NLTE on derived parameters is less significant. We compare our derived T{sub eff} values to several other spectroscopic and photometric T{sub eff} calibrations for red giants, including one that is less model dependent based on the infrared flux method (IRFM). We find that the NLTE models provide slightly better agreement to the IRFM calibration among the warmer stars in our sample, while giving approximately the same level of agreement for the cooler stars.

  11. Predictions of B{sub c} meson decay emitting pseudoscalar and heavy scalar mesons using ISGW II model

    SciTech Connect

    Sharma, Neelesh; Verma, R. C.

    2010-11-01

    Two-body hadronic weak decays of B{sub c} meson emitting pseudoscalar and heavy scalar mesons are investigated using the Spectator Quark Model. Decay amplitudes are obtained using the factorization scheme; consequently, branching ratios are predicted in the Isgur-Scora-Grinstein-Wise (ISGW II) model.

  12. Three-dimensional model for meta-II rhodopsin, an activated G-protein-coupled receptor.

    PubMed

    Nikiforovich, Gregory V; Marshall, Garland R

    2003-08-01

    A novel approach that iteratively combined the results of energy calculations and experimental data was used to generate a three-dimensional (3D) model of the photoactivated state (R*) of bovine rhodopsin (Rh). The approach started with simplified energy calculations in an effort to find a set of sterically and energetically reasonable options for transmembrane (TM) helix arrangements with all-trans-retinal. Various 3D models of TM helix packing found by computations were then compared to limited site-directed spin-label experimental data regarding the transition of the TM helices of Rh in the inactive state (R) to those in the R* state to identify the most plausible model of the TM helical bundle. At the next step, all non-TM structural elements, such as the non-TM helix 8, the N- and C-terminal fragments, and the loops connecting TM helices, were reconstructed, and after the entire R* structure had been relaxed, all other currently available additional experimental data, both mutational and spectroscopic, on the structure of the meta-II state of rhodopsin were used to validate the resulting 3D model.

  13. Survey of non-linear hydrodynamic models of type-II Cepheids

    NASA Astrophysics Data System (ADS)

    Smolec, R.

    2016-03-01

    We present a grid of non-linear convective type-II Cepheid models. The dense model grids are computed for 0.6 M⊙ and a range of metallicities ([Fe/H] = -2.0, -1.5, -1.0), and for 0.8 M⊙ ([Fe/H] = -1.5). Two sets of convective parameters are considered. The models cover the full temperature extent of the classical instability strip, but are limited in luminosity; for the most luminous models, violent pulsation leads to the decoupling of the outermost model shell. Hence, our survey reaches only the shortest period RV Tau domain. In the Hertzsprung-Russell diagram, we detect two domains in which period-doubled pulsation is possible. The first extends through the BL Her domain and low-luminosity W Vir domain (pulsation periods ˜2-6.5 d). The second domain extends at higher luminosities (W Vir domain; periods >9.5 d). Some models within these domains display period-4 pulsation. We also detect very narrow domains (˜10 K wide) in which modulation of pulsation is possible. Another interesting phenomenon we detect is double-mode pulsation in the fundamental mode and in the fourth radial overtone. Fourth overtone is a surface mode, trapped in the outer model layers. Single-mode pulsation in the fourth overtone is also possible on the hot side of the classical instability strip. The origin of the above phenomena is discussed. In particular, the role of resonances in driving different pulsation dynamics as well as in shaping the morphology of the radius variation curves is analysed.

  14. Chemometric investigation of complex equilibria in solution phase II: Sensitivity of chemical models for the interaction of AADH and FAH with Ni(II) in aqueous medium.

    PubMed

    Babu, A R; Krishna, D M; Rao, R S

    1993-12-01

    A detailed study of the species formed in the complex equilibria involving adipic acid dihydrazide (AADH)/2-furoic acid hydrazide (FAH) with Ni(II) using pH titration with glass electrode is performed. The results of modeling studies and effect of errors on the equilibrium constants of AADH/FAH with Ni(II) refined by the non-linear least squares program MINIQUAD75 are reported. Based on the expert system approach developed in our laboratory for the species formed from secondary formation data (n and n (H)), several preliminary chemical models were tested. For the four species identified (MLH, ML, ML(2)H, ML(2)), an exhaustive search of a different combination of models (15) was performed. Then other suspected minor species (ML(2)H(2), ML(3) and ML(3)H) were tested. The final best fit chemical model was found to contain ML(3)H to an extent of 3% along with the other four major species. In order to ascertain the accuracy of the stability constants and consequently distribution of the species, a detailed error analysis is attempted. As the existing least squares procedures cannot suppress the systematic errors, three-dimensional plots of the simultaneous effects of pH and TLO:TMO (1.5:1 to 5:1) on the percentage of species are drawn which are of immense use in arriving at optimum conditions for the preparation of a complex of definite stoichiometry. PMID:18965865

  15. Microcrystallization techniques for serial femtosecond crystallography using photosystem II from Thermosynechococcus elongatus as a model system.

    PubMed

    Kupitz, Christopher; Grotjohann, Ingo; Conrad, Chelsie E; Roy-Chowdhury, Shatabdi; Fromme, Raimund; Fromme, Petra

    2014-07-17

    Serial femtosecond crystallography (SFX) is a new emerging method, where X-ray diffraction data are collected from a fully hydrated stream of nano- or microcrystals of biomolecules in their mother liquor using high-energy, X-ray free-electron lasers. The success of SFX experiments strongly depends on the ability to grow large amounts of well-ordered nano/microcrystals of homogeneous size distribution. While methods to grow large single crystals have been extensively explored in the past, method developments to grow nano/microcrystals in sufficient amounts for SFX experiments are still in their infancy. Here, we describe and compare three methods (batch, free interface diffusion (FID) and FID centrifugation) for growth of nano/microcrystals for time-resolved SFX experiments using the large membrane protein complex photosystem II as a model system.

  16. Dynamics of stochastic predator-prey models with Holling II functional response

    NASA Astrophysics Data System (ADS)

    Liu, Qun; Zu, Li; Jiang, Daqing

    2016-08-01

    In this paper, we consider the dynamics of stochastic predator-prey models with Holling II functional response. For the stochastic systems, we firstly establish sufficient conditions for the existence of the globally positive solutions. Then we investigate the asymptotic moment estimations of the positive solutions and study the ultimately bounded in the mean of them. Thirdly, by constructing some suitable Lyapunov functions, we verify that there are unique stationary distributions and they are ergodic. The obtained results show that the systems still retain some stability in the sense of weak stability provided that the intensity of the white noise is relatively small. Finally, some numerical simulations are introduced to illustrate our main results.

  17. Quantitative model of calcium/calmodulin-dependent protein kinase II activation

    NASA Astrophysics Data System (ADS)

    Mihalas, Stefan

    Calcium/calmodulin-dependent protein kinase II (CaMKII) is a key element in the calcium second messenger cascades that lead to long term potentiation (LTP) of synaptic strength. In this thesis, I have constructed kinetic models of activation of CaMKII and measured some of the unknown parameters of the model. I used the models to elucidate mechanisms of activation of CaMKII and to study the kinetics of its activation under conditions similar to those in dendritic spines.In chapter 2, I developed a new experimental method to rapidly stop the autophosphorylation reaction. I used this method to measure the catalytic turnover number of CaMKII. To quantitatively characterize CaMKII atophosphorylation in nonsaturating calcium, I also measured the autophosphorylation turnover number when CaMKII is activated by calmodulin mutants that can bind calcium ions only in either the amino or the carboxyl lobes.Previous models of CaMKII activation assumed that binding of calmodulins to individual CaMKII subunits is independent and that autophosphorylation occurs within a ring of 6 subunits. However, a recent structure of CaMKII suggests that pairs of subunits cooperate in binding calmodulin and raises the possibility that the autophosphorylation occurs within pairs of subunits. In chapter 3, I constructed a model in which CaMKII subunits cooperate in binding calmodulin. This model reconciled previous experimental results from the literature that appeared contradictory. In chapter 4, I constructed two models for CaMKII autophosphorylation, in which autophosphorylation can occur either in rings or pairs, and used them to design experiments aimed at differentiating between these possibilities. Previously published measurements and the measurements that I performed are more consistent with autophosphorylation occurring within pairs.In chapter 5, I constructed a model for simultaneous interactions among calcium, calmodulin, and CaMKII, and I used an automatic parameter search algorithm

  18. Regulatory networks and complex interactions between the insulin and angiotensin II signalling systems: models and implications for hypertension and diabetes.

    PubMed

    Cizmeci, Deniz; Arkun, Yaman

    2013-01-01

    The cross-talk between insulin and angiotensin II signalling pathways plays a significant role in the co-occurrence of diabetes and hypertension. We developed a mathematical model of the system of interactions among the biomolecules that are involved in the cross-talk between the insulin and angiotensin II signalling pathways. We have identified several feedback structures that regulate the dynamic behavior of the individual signalling pathways and their interactions. Different scenarios are simulated and dominant steady-state, dynamic and stability characteristics are revealed. The proposed mechanistic model describes how angiotensin II inhibits the actions of insulin and impairs the insulin-mediated vasodilation. The model also predicts that poor glycaemic control induced by diabetes contributes to hypertension by activating the renin angiotensin aystem.

  19. Polarized light scanning cryomacroscopy, part II: Thermal modeling and analysis of experimental observations.

    PubMed

    Feig, Justin S G; Solanki, Prem K; Eisenberg, David P; Rabin, Yoed

    2016-10-01

    This study aims at developing thermal analysis tools and explaining experimental observations made by means of polarized-light cryomacroscopy (Part I). Thermal modeling is based on finite elements analysis (FEA), where two model parameters are extracted from thermal measurements: (i) the overall heat transfer coefficient between the cuvette and the cooling chamber, and (ii) the effective thermal conductivity within the cryoprotective agent (CPA) at the upper part of the cryogenic temperature range. The effective thermal conductivity takes into account enhanced heat transfer due to convection currents within the CPA, creating the so-called Bénard cells. Comparison of experimental results with simulation data indicates that the uncertainty in simulations due to the propagation of uncertainty in measured physical properties exceeds the uncertainty in experimental measurements, which validates the modeling approach. It is shown in this study that while a cavity may form in the upper-center portion of the vitrified CPA, it has very little effect on estimating the temperature distribution within the domain. This cavity is driven by thermal contraction of the CPA, with the upper-center of the domain transitioning to glass last. Finally, it is demonstrated in this study that additional stresses may develop within the glass transition temperature range due to nonlinear behavior of the thermal expansion coefficient. This effect is reported here for the first time in the context of cryobiology, using the capabilities of polarized-light cryomacroscopy. PMID:27343139

  20. Pharmacokinetic Modeling of Manganese II. Hepatic Processing after Ingestion and Inhalation

    SciTech Connect

    Teeguarden, Justin G.; Dorman, David C.; Nong, Andy; Covington, Tammie R.; Clewell, III, H. J.; Andersen, Melvin E.

    2007-01-01

    ABSTRACT Current concerns regarding inhalation exposure to Mn, a component from oxidation of the gasoline antiknock agent MMT, have stimulated interest in developing kinetic tools for describing the inhalation and combined inhalation/oral route kinetics of Mn. Here we integrate kinetic approaches for (i) bulk tissue Mn kinetics and (ii) hepato-intestinal control of oral-route Mn uptake into a integrated model structure connecting systemic and oral Mn. Linkages were developed between the hepato-intestinal and systemic tissues in order to evaluate differences in hepatic processing of orally absorbed Mn and systemic Mn. The integrated, unified model described the uptake, net absorption and elimination of ingested manganese and the elimination kinetics of iv administered (systemic) manganese by treating Mn arriving at the liver from systemic versus portal blood differently. Hepatic extraction of orally absorbed Mn in rats predicted through simulation of the oral uptake data was 19 %, 54 % and 78 % at dietary exposures of 1.5 ppm, 11.2 ppm and 100 ppm, respectively. In contrast, hepatic extraction of systemic Mn predicted through simulation of elimination kinetics iv tracer Mn was much less, 0.004%, 0.005%, or 0.009% at dietary levels of 2, 10 and 100 ppm, respectively. These differences in hepatic processing of blood Mn derived from different dose-routes need to be accounted for in more complete PK models for Mn that are intended to support human health risk assessments.

  1. Biological Parametric Mapping Accounting for Random Regressors with Regression Calibration and Model II Regression

    PubMed Central

    Yang, Xue; Lauzon, Carolyn B.; Crainiceanu, Ciprian; Caffo, Brian; Resnick, Susan M.; Landman, Bennett A.

    2012-01-01

    Massively univariate regression and inference in the form of statistical parametric mapping have transformed the way in which multi-dimensional imaging data are studied. In functional and structural neuroimaging, the de facto standard “design matrix”-based general linear regression model and its multi-level cousins have enabled investigation of the biological basis of the human brain. With modern study designs, it is possible to acquire multi-modal three-dimensional assessments of the same individuals — e.g., structural, functional and quantitative magnetic resonance imaging, alongside functional and ligand binding maps with positron emission tomography. Largely, current statistical methods in the imaging community assume that the regressors are non-random. For more realistic multi-parametric assessment (e.g., voxel-wise modeling), distributional consideration of all observations is appropriate. Herein, we discuss two unified regression and inference approaches, model II regression and regression calibration, for use in massively univariate inference with imaging data. These methods use the design matrix paradigm and account for both random and non-random imaging regressors. We characterize these methods in simulation and illustrate their use on an empirical dataset. Both methods have been made readily available as a toolbox plug-in for the SPM software. PMID:22609453

  2. Gas Dynamics for Final Focus Modeling of the HYLIFE-II Reactor

    NASA Astrophysics Data System (ADS)

    Jantzen, Caron; Lee, Ed; Peterson, Per F.

    1996-11-01

    Gas dynamics in the heavy-ion-driver concept for inertial fusion energy power plant, HYLIFE-II is modeled using the code TSUNAMI. This is a 2-D computational fluid dynamics code that uses the Godunov method with operator splitting. Simulations are run and results compared using both ideal gas and the partial- ionization equations of state. Developed by Zeldovich and Raizor, the partial- ionization model approximates the Saha equation for multiply ionized species in a gas mixture. Results from a cylindrically symmetric simulation indicate an initial, low density, burst of high energy particles enters the final focus transport beam line within 10 microseconds after the blast, much faster than the proposed 1 millisecond shutter closing time. After approximately 70 microseconds the chamber debris flux levels off to one eighth its peak value and results in 23 mg entering a .07m beam port. Although initial protective jet ablation and secondary radiation effects are considered, condensation is not modeled. Therefore results are conservative.

  3. FutureTox II: in vitro data and in silico models for predictive toxicology.

    PubMed

    Knudsen, Thomas B; Keller, Douglas A; Sander, Miriam; Carney, Edward W; Doerrer, Nancy G; Eaton, David L; Fitzpatrick, Suzanne Compton; Hastings, Kenneth L; Mendrick, Donna L; Tice, Raymond R; Watkins, Paul B; Whelan, Maurice

    2015-02-01

    FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo responses from in vitro and in silico data, and to define the goals for the future. Presentations and discussions were held on priority concerns such as predicting and modeling of metabolism, cell growth and differentiation, effects on sensitive subpopulations, and integrating data into risk assessment. Emerging trends in technologies such as stem cell-derived human cells, 3D organotypic culture models, mathematical modeling of cellular processes and morphogenesis, adverse outcome pathway development, and high-content imaging of in vivo systems were discussed. Although advances in moving towards an in vitro/in silico based risk assessment paradigm were apparent, knowledge gaps in these areas and limitations of technologies were identified. Specific recommendations were made for future directions and research needs in the areas of hepatotoxicity, cancer prediction, developmental toxicity, and regulatory toxicology. PMID:25628403

  4. FutureTox II: In vitro Data and In Silico Models for Predictive Toxicology

    PubMed Central

    Knudsen, Thomas B.; Keller, Douglas A.; Sander, Miriam; Carney, Edward W.; Doerrer, Nancy G.; Eaton, David L.; Fitzpatrick, Suzanne Compton; Hastings, Kenneth L.; Mendrick, Donna L.; Tice, Raymond R.; Watkins, Paul B.; Whelan, Maurice

    2015-01-01

    FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo responses from in vitro and in silico data, and to define the goals for the future. Presentations and discussions were held on priority concerns such as predicting and modeling of metabolism, cell growth and differentiation, effects on sensitive subpopulations, and integrating data into risk assessment. Emerging trends in technologies such as stem cell-derived human cells, 3D organotypic culture models, mathematical modeling of cellular processes and morphogenesis, adverse outcome pathway development, and high-content imaging of in vivo systems were discussed. Although advances in moving towards an in vitro/in silico based risk assessment paradigm were apparent, knowledge gaps in these areas and limitations of technologies were identified. Specific recommendations were made for future directions and research needs in the areas of hepatotoxicity, cancer prediction, developmental toxicity, and regulatory toxicology. PMID:25628403

  5. Polarized light scanning cryomacroscopy, part II: Thermal modeling and analysis of experimental observations.

    PubMed

    Feig, Justin S G; Solanki, Prem K; Eisenberg, David P; Rabin, Yoed

    2016-10-01

    This study aims at developing thermal analysis tools and explaining experimental observations made by means of polarized-light cryomacroscopy (Part I). Thermal modeling is based on finite elements analysis (FEA), where two model parameters are extracted from thermal measurements: (i) the overall heat transfer coefficient between the cuvette and the cooling chamber, and (ii) the effective thermal conductivity within the cryoprotective agent (CPA) at the upper part of the cryogenic temperature range. The effective thermal conductivity takes into account enhanced heat transfer due to convection currents within the CPA, creating the so-called Bénard cells. Comparison of experimental results with simulation data indicates that the uncertainty in simulations due to the propagation of uncertainty in measured physical properties exceeds the uncertainty in experimental measurements, which validates the modeling approach. It is shown in this study that while a cavity may form in the upper-center portion of the vitrified CPA, it has very little effect on estimating the temperature distribution within the domain. This cavity is driven by thermal contraction of the CPA, with the upper-center of the domain transitioning to glass last. Finally, it is demonstrated in this study that additional stresses may develop within the glass transition temperature range due to nonlinear behavior of the thermal expansion coefficient. This effect is reported here for the first time in the context of cryobiology, using the capabilities of polarized-light cryomacroscopy.

  6. Type-II seesaw dominance in nonsupersymmetric and split-supersymmetry SO(10) models and proton lifetime

    SciTech Connect

    Mohapatra, R. N.; Parida, Mina K.

    2011-11-01

    Recently type-II seesaw in a supersymmetricSO(10) framework has been found useful in explaining large solar and atmospheric mixing angles as well as a larger value of {theta}{sub 13} while unifying quark and lepton masses. An important question in these models is whether there exists consistency between coupling unification and type-II seesaw dominance. Scenarios where this consistency can be demonstrated have been given in a SUSY framework. In this paper we give examples where type-II dominance occurs in SO(10) models without supersymmetry but with additional TeV-scale particles and also in models with split-supersymmetry. Grand unification is realized in a two step process via breaking of SO(10) to SU(5) and then to a TeV-scale standard model supplemented by extra fields and an SU(5) Higgs multiplet 15{sub H} at a scale of about 10{sup 12} GeV to give a type-II seesaw. The predictions for proton lifetime in these models are in the range {tau}{sub p}{sup 0}=2x10{sup 35} yrs. to 6x10{sup 35} yrs. A number of recent numerical fits to GUT-scale fermion masses can be accommodated within this model.

  7. Viscoelastic Model for Lung Parenchyma for Multi-Scale Modeling of Respiratory System, Phase II: Dodecahedral Micro-Model

    SciTech Connect

    Freed, Alan D.; Einstein, Daniel R.; Carson, James P.; Jacob, Rick E.

    2012-03-01

    In the first year of this contractual effort a hypo-elastic constitutive model was developed and shown to have great potential in modeling the elastic response of parenchyma. This model resides at the macroscopic level of the continuum. In this, the second year of our support, an isotropic dodecahedron is employed as an alveolar model. This is a microscopic model for parenchyma. A hopeful outcome is that the linkage between these two scales of modeling will be a source of insight and inspiration that will aid us in the final year's activity: creating a viscoelastic model for parenchyma.

  8. A Novel Mouse Model of a Patient Mucolipidosis II Mutation Recapitulates Disease Pathology*

    PubMed Central

    Paton, Leigh; Bitoun, Emmanuelle; Kenyon, Janet; Priestman, David A.; Oliver, Peter L.; Edwards, Benjamin; Platt, Frances M.; Davies, Kay E.

    2014-01-01

    Mucolipidosis II (MLII) is a lysosomal storage disorder caused by loss of N-acetylglucosamine-1-phosphotransferase, which tags lysosomal enzymes with a mannose 6-phosphate marker for transport to the lysosome. In MLII, the loss of this marker leads to deficiency of multiple enzymes and non-enzymatic proteins in the lysosome, leading to the storage of multiple substrates. Here we present a novel mouse model of MLII homozygous for a patient mutation in the GNPTAB gene. Whereas the current gene knock-out mouse model of MLII lacks some of the characteristic features of the human disease, our novel mouse model more fully recapitulates the human pathology, showing growth retardation, skeletal and facial abnormalities, increased circulating lysosomal enzymatic activities, intracellular lysosomal storage, and reduced life span. Importantly, MLII behavioral deficits are characterized for the first time, including impaired motor function and psychomotor retardation. Histological analysis of the brain revealed progressive neurodegeneration in the cerebellum with severe Purkinje cell loss as the underlying cause of the ataxic gait. In addition, based on the loss of Npc2 (Niemann-Pick type C 2) protein expression in the brain, the mice were treated with 2-hydroxypropyl-β-cyclodextrin, a drug previously reported to rescue Purkinje cell death in a mouse model of Niemann-Pick type C disease. No improvement in brain pathology was observed. This indicates that cerebellar degeneration is not primarily triggered by loss of Npc2 function. This study emphasizes the value of modeling MLII patient mutations to generate clinically relevant mouse mutants to elucidate the pathogenic molecular pathways of MLII and address their amenability to therapy. PMID:25107912

  9. Mathematical modelling of the light response curve of photoinhibition of photosystem II.

    PubMed

    Tyystjärvi, Esa; Hakala, Marja; Sarvikas, Päivi

    2005-06-01

    The light response curves of the acceptor and donor side mechanisms of photoinhibition of Photosystem II were calculated, using Arabidopsis as a model organism. Acceptor-side photoinhibition was modelled as double reduction of QA, noting that non-photochemical quenching has the same effect on the quantum yield of QA double reduction in closed PSII centres as it has on the quantum yield of electron transport in open centres. The light response curve of acceptor-side photoinhibition in Arabidopsis shows very low efficiency under low intensity light and a relatively constant quantum yield above light saturation of photosynthesis. To calculate the light response curve of donor-side photoinhibition, we built a model describing the concentration of the oxidized primary donor P680 + during steady-state photosynthesis. The model is based on literature values of rate constants of electron transfer reactions of PSII, and it was fitted with fluorescence parameters measured in the steady state. The modelling analysis showed that the quantum yield of donor-side photoinhibition peaks under moderate light. The deviation of the acceptor and donor side mechanisms from the direct proportionality between photoinhibition and photon flux density suggests that these mechanisms cannot solely account for photoinhibition in vivo, but contribution of a reaction whose quantum yield is independent of light intensity is needed. Furthermore, a simple kinetic calculation suggests that the acceptor-side mechanism may not explain singlet oxygen production by photoinhibited leaves. The theoretical framework described here can be used to estimate the yields of different photoinhibition mechanisms under different wavelengths or light intensities.

  10. Mouse model of type II Bartter's syndrome. II. Altered expression of renal sodium- and water-transporting proteins.

    PubMed

    Wagner, Carsten A; Loffing-Cueni, Dominique; Yan, Qingshang; Schulz, Nicole; Fakitsas, Panagiotis; Carrel, Monique; Wang, Tong; Verrey, Francois; Geibel, John P; Giebisch, Gerhard; Hebert, Steven C; Loffing, Johannes

    2008-06-01

    Bartter's syndrome represents a group of hereditary salt- and water-losing renal tubulopathies caused by loss-of-function mutations in proteins mediating or regulating salt transport in the thick ascending limb (TAL) of Henle's loop. Mutations in the ROMK channel cause type II antenatal Bartter's syndrome that presents with maternal polyhydramnios and postnatal life-threatening volume depletion. We have developed a colony of Romk null mice showing a Bartter-like phenotype and with increased survival to adulthood, suggesting the activation of compensatory mechanisms. To test the hypothesis that upregulation of Na(+)-transporting proteins in segments distal to the TAL contributes to compensation, we studied expression of salt-transporting proteins in ROMK-deficient (Romk(-/-)) mice. Plasma aldosterone was 40% higher and urinary PGE(2) excretion was 1.5-fold higher in Romk(-/-) compared with wild-type littermates. Semiquantitative immunoblotting of kidney homogenates revealed decreased abundances of proximal tubule Na(+)/H(+) exchanger (NHE3) and Na(+)-P(i) cotransporter (NaPi-IIa) and TAL-specific Na(+)-K(+)-2Cl(-)-cotransporter (NKCC2/BSC1) in Romk(-/-) mice, while the distal convoluted tubule (DCT)-specific Na(+)-Cl(-) cotransporter (NCC/TSC) was markedly increased. The abundance of the alpha-,beta-, and gamma-subunits of the epithelial Na(+) channel (ENaC) was slightly increased, although only differences for gamma-ENaC reached statistical significance. Morphometry revealed a fourfold increase in the fractional volume of DCT but not of connecting tubule (CNT) and collecting duct (CCD). Consistently, CNT and CD of Romk(-/-) mice revealed no apparent increase in the luminal abundance of the ENaC compared with those of wild-type mice. These data suggest that the loss of ROMK-dependent Na(+) absorption in the TAL is compensated predominately by upregulation of Na(+) transport in downstream DCT cells. These adaptive changes in Romk(-/-) mice may help to limit renal Na

  11. Towards multi-resolution global climate modeling with ECHAM6-FESOM. Part II: climate variability

    NASA Astrophysics Data System (ADS)

    Rackow, T.; Goessling, H. F.; Jung, T.; Sidorenko, D.; Semmler, T.; Barbi, D.; Handorf, D.

    2016-06-01

    This study forms part II of two papers describing ECHAM6-FESOM, a newly established global climate model with a unique multi-resolution sea ice-ocean component. While part I deals with the model description and the mean climate state, here we examine the internal climate variability of the model under constant present-day (1990) conditions. We (1) assess the internal variations in the model in terms of objective variability performance indices, (2) analyze variations in global mean surface temperature and put them in context to variations in the observed record, with particular emphasis on the recent warming slowdown, (3) analyze and validate the most common atmospheric and oceanic variability patterns, (4) diagnose the potential predictability of various climate indices, and (5) put the multi-resolution approach to the test by comparing two setups that differ only in oceanic resolution in the equatorial belt, where one ocean mesh keeps the coarse ~1° resolution applied in the adjacent open-ocean regions and the other mesh is gradually refined to ~0.25°. Objective variability performance indices show that, in the considered setups, ECHAM6-FESOM performs overall favourably compared to five well-established climate models. Internal variations of the global mean surface temperature in the model are consistent with observed fluctuations and suggest that the recent warming slowdown can be explained as a once-in-one-hundred-years event caused by internal climate variability; periods of strong cooling in the model (`hiatus' analogs) are mainly associated with ENSO-related variability and to a lesser degree also to PDO shifts, with the AMO playing a minor role. Common atmospheric and oceanic variability patterns are simulated largely consistent with their real counterparts. Typical deficits also found in other models at similar resolutions remain, in particular too weak non-seasonal variability of SSTs over large parts of the ocean and episodic periods of almost absent

  12. A dynamic in vitro lipolysis model. II: Evaluation of the model.

    PubMed

    Zangenberg, N H; Müllertz, A; Kristensen, H G; Hovgaard, L

    2001-10-01

    A lipolysis model was characterised and evaluated by investigating the composition of the aqueous phase and the concentration of probucol and danazol in the aqueous phase. Effects of bile salt levels at 5, 10, 20, and 30 mM were investigated. Samples were taken at 0%, 50%, 75% and 95% hydrolysis of the triglycerides, and the aqueous phases were isolated by ultra-centrifugation, whereby the concentrations of bile salts, fatty acids, mono-, di-, triglycerides, and drug substances were measured. At high Ca(2+)-concentrations, bile salts were believed to precipitate with Ca(2+). The concentration of lipolytic products (fatty acids + monoglycerides) was dependent on the bile salt concentration. The ratio between lipolytic product and bile salts was 1.55+/-0.09 (S.D.). This ratio is equivalent to mixed bile salt micelles and vesicles in equilibrium. The aqueous solubility of probucol and danazol was increased in the presence of bile salts. The concentration of danazol in the aqueous phase was dependent on the solubilisation capacity of the aqueous phase. In the case of probucol, the concentration in the aqueous phase was dependent on the partition of probucol between the aqueous phase and the remaining triglyceride phase. This difference between danazol and probucol was attributed to the effect of different lipophilicity.

  13. ANG II-induced hypertension in the VCD mouse model of menopause is prevented by estrogen replacement during perimenopause.

    PubMed

    Pollow, Dennis P; Romero-Aleshire, Melissa J; Sanchez, Jessica N; Konhilas, John P; Brooks, Heddwen L

    2015-12-15

    Premenopausal females are resistant to the development of hypertension, and this protection is lost after the onset of menopause, resulting in a sharp increase in disease onset and severity. However, it is unknown how a fluctuating ovarian hormone environment during the transition from perimenopause to menopause impacts the onset of hypertension, and whether interventions during perimenopause prevent disease onset after menopause. A gradual transition to menopause was induced by repeated daily injections of 4-vinylcyclohexene diepoxide (VCD). ANG II (800 ng·kg(-1)·min(-1)) was infused into perimenopausal and menopausal female mice for 14 days. A separate cohort of mice received 17β-estradiol replacement during perimenopause. ANG II infusion produced significantly higher mean arterial pressure (MAP) in menopausal vs. cycling females, and 17β-estradiol replacement prevented this increase. In contrast, MAP was not significantly different when ANG II was infused into perimenopausal and cycling females, suggesting that female resistance to ANG II-induced hypertension is intact during perimenopause. ANG II infusion caused a significant glomerular hypertrophy, and hypertrophy was not impacted by hormonal status. Expression levels of aquaporin-2 (AQP2), a collecting duct protein, have been suggested to reflect blood pressure. AQP2 protein expression was significantly downregulated in the renal cortex of the ANG II-infused menopause group, where blood pressure was increased. AQP2 expression levels were restored to control levels with 17β-estradiol replacement. This study indicates that the changing hormonal environment in the VCD model of menopause impacts the severity of ANG II-induced hypertension. These data highlight the utility of the ovary-intact VCD model of menopause as a clinically relevant model to investigate the physiological mechanisms of hypertension that occur in women during the transition into menopause.

  14. Analysis of TOPAZ II and SPACE-R space nuclear power plants using a modified thermionic model. Master's thesis

    SciTech Connect

    Habedank, O.D.

    1993-03-01

    Models based on the TDS thermionic diode model were developed for TOPAZ II and SPACER nuclear power systems. Several parameter studies were conducted with the TOPAZ II model. These determined system performance and efficiency while varying the following: (1) Coolant flow inlet temperatures. (2) Rate of coolant temperature change. (3) Power profile of the core. (4) Cesium reservoir temperature. Analysis of results indicate the model accurately represented the TOPAZ II system, underestimating published data by 10%. Coolant flow studies indicate that raising coolant temperatures up to 100 K higher increases system power by up to 5%. Additional increases in temperature result in gradual performance degradation. Varying the axial power profile of the core from the actual peaked profile to a flat profile results in a negligible 0.3% change in system performance. The peaked profile used in TOPAZ II produces the highest system efficiency of all the profiles modeled. The cesium pressure study indicates the system is operating above optimum cesium pressure and system performance is strongly dependent on cesium pressure. Increasing cesium reservoir temperature above design temperature by 30 K decreases system efficiency by 30%.

  15. The treatment of mixing in core helium burning models - II. Constraints from cluster star counts

    NASA Astrophysics Data System (ADS)

    Constantino, Thomas; Campbell, Simon W.; Lattanzio, John C.; van Duijneveldt, Adam

    2016-03-01

    The treatment of convective boundaries during core helium burning is a fundamental problem in stellar evolution calculations. In the first paper of this series, we showed that new asteroseismic observations of these stars imply they have either very large convective cores or semiconvection/partially mixed zones that trap g modes. We probe this mixing by inferring the relative lifetimes of asymptotic giant branch (AGB) and horizontal branch (HB) from R2, the observed ratio of these stars in recent HST photometry of 48 Galactic globular clusters. Our new determinations of R2 are more self-consistent than those of previous studies and our overall calculation of R2 = 0.117 ± 0.005 is the most statistically robust now available. We also establish that the luminosity difference between the HB and the AGB clump is Δ log {L}_HB^AGB = 0.455 ± 0.012. Our results accord with earlier findings that standard models predict a lower R2 than is observed. We demonstrate that the dominant sources of uncertainty in models are the prescription for mixing and the stochastic effects that can result from its numerical treatment. The luminosity probability density functions that we derive from observations feature a sharp peak near the AGB clump. This constitutes a strong new argument against core breathing pulses, which broaden the predicted width of the peak. We conclude that the two mixing schemes that can match the asteroseismology are capable of matching globular cluster observations, but only if (i) core breathing pulses are avoided in models with a semiconvection/partially mixed zone, or (ii) that models with large convective cores have a particular depth of mixing beneath the Schwarzschild boundary during subsequent early-AGB `gravonuclear' convection.

  16. Conservation of polyproline II helices in homologous proteins: implications for structure prediction by model building.

    PubMed Central

    Adzhubei, A. A.; Sternberg, M. J.

    1994-01-01

    Left-handed polyproline II (PPII) helices commonly occur in globular proteins in segments of 4-8 residues. This paper analyzes the structural conservation of PPII-helices in 3 protein families: serine proteinases, aspartic proteinases, and immunoglobulin constant domains. Calculations of the number of conserved segments based on structural alignment of homologous molecules yielded similar results for the PPII-helices, the alpha-helices, and the beta-strands. The PPII-helices are consistently conserved at the level of 100-80% in the proteins with sequence identity above 20% and RMS deviation of structure alignments below 3.0 A. The most structurally important PPII segments are conserved below this level of sequence identity. These results suggest that the PPII-helices, in addition to the other 2 secondary structure classes, should be identified as part of structurally conserved regions in proteins. This is supported by similar values for the local RMS deviations of the aligned segments for the structural classes of PPII-helices, alpha-helices, and beta-strands. The PPII-helices are shown to participate in supersecondary elements such as PPII-helix/alpha-helix. The conservation of PPII-helices depends on the conservation of a supersecondary element as a whole. PPII-helices also form links, possibly flexible, in the interdomain regions. The role of the PPII-helices in model building by homology is 2-fold; they serve as additional conserved elements in the structure allowing improvement of the accuracy of a model and provide correct chain geometry for modeling of the segments equivalenced to them in a target sequence. The improvement in model building is demonstrated in 2 test studies. PMID:7756993

  17. A Pressure-dependent Model for the Regulation of Lipoprotein Lipase by Apolipoprotein C-II*

    PubMed Central

    Meyers, Nathan L.; Larsson, Mikael; Olivecrona, Gunilla; Small, Donald M.

    2015-01-01

    Apolipoprotein C-II (apoC-II) is the co-factor for lipoprotein lipase (LPL) at the surface of triacylglycerol-rich lipoproteins. LPL hydrolyzes triacylglycerol, which increases local surface pressure as surface area decreases and amphipathic products transiently accumulate at the lipoprotein surface. To understand how apoC-II adapts to these pressure changes, we characterized the behavior of apoC-II at multiple lipid/water interfaces. ApoC-II adsorption to a triacylglycerol/water interface resulted in large increases in surface pressure. ApoC-II was exchangeable at this interface and desorbed on interfacial compressions. These compressions increase surface pressure and mimic the action of LPL. Analysis of gradual compressions showed that apoC-II undergoes a two-step desorption, which indicates that lipid-bound apoC-II can exhibit at least two conformations. We characterized apoC-II at phospholipid/triacylglycerol/water interfaces, which more closely mimic lipoprotein surfaces. ApoC-II had a large exclusion pressure, similar to that of apoC-I and apoC-III. However, apoC-II desorbed at retention pressures higher than those seen with the other apoCs. This suggests that it is unlikely that apoC-I and apoC-III inhibit LPL via displacement of apoC-II from the lipoprotein surface. Upon rapid compressions and re-expansions, re-adsorption of apoC-II increased pressure by lower amounts than its initial adsorption. This indicates that apoC-II removed phospholipid from the interface upon desorption. These results suggest that apoC-II regulates the activity of LPL in a pressure-dependent manner. ApoC-II is provided as a component of triacylglycerol-rich lipoproteins and is the co-factor for LPL as pressure increases. Above its retention pressure, apoC-II desorbs and removes phospholipid. This triggers release of LPL from lipoproteins. PMID:26026161

  18. CBSD Version II component models of the IR celestial background. Technical report

    SciTech Connect

    Kennealy, J.P.; Glaudell, G.A.

    1990-12-07

    CBSD Version II addresses the development of algorithms and software which implement realistic models of all the primary celestial background phenomenologies, including solar system, galactic, and extra-galactic features. During 1990, the CBSD program developed and refined IR scene generation models for the zodiacal emission, thermal emission from asteroids and planets, and the galactic point source background. Chapters in this report are devoted to each of those areas. Ongoing extensions to the point source module for extended source descriptions of nebulae and HII regions are briefly discussed. Treatment of small galaxies will also be a natural extension of the current CBSD point source module. Although no CBSD module yet exists for interstellar IR cirrus, MRC has been working closely with the Royal Aerospace Establishment in England to achieve a data-base understanding of cirrus fractal characteristics. The CBSD modules discussed in Chapters 2, 3, and 4 are all now operational and have been employed to generate a significant variety of scenes. CBSD scene generation capability has been well accepted by both the IR astronomy community and the DOD user community and directly supports the SDIO SSGM program.

  19. A review on ROCK-II inhibitors: From molecular modelling to synthesis.

    PubMed

    Shah, Surmil; Savjani, Jignasa

    2016-05-15

    Rho kinase enzyme expressed in different disease conditions and involved in mediating vasoconstriction and vascular remodeling in the pathogenesis. There are two isoforms of Rho kinases, namely ROCK I and ROCK II, responsible for different physiological function due to difference in distribution, but almost similar in structure. The Rho kinase 2 belongs to AGC family and is widely distributed in brain, heart and muscles. It is responsible for contraction of vascular smooth muscles by calcium sensitization. Its defective and unwanted expression can lead to many medical conditions like multiple sclerosis, myocardial ischemia, inflammatory responses, etc. Many Rho kinase 1 and 2 inhibitors have been designed for Rho/Rho kinase pathway by use of molecular modeling studies. Most of the designed compounds have been modeled based on ROCK 1 enzyme. This article is focused on Rho kinase 2 inhibitors as there are many ways to improvise by use of Computer aided drug designing as very less quantum of research work carried out. Herein, the article highlights different stages of designing like docking, SAR and synthesis of ROCK inhibitors and recent advances. It also highlights future prospective to improve the activity.

  20. Model study of the Kori II cooling-water discharge siphon

    SciTech Connect

    Prosser, M.J.; Payne, M.W.

    1982-01-01

    During the commissioning of the condenser cooling water system for the KoRi II power station in Korea, very turbulent flow conditions were observed in the stilling basin where the flow discharges from the main C.W. system. A 1-in-13 model was made to study the detail behavior of the flow in the siphons that connect the outlet culverts to the stilling basin. Several modifications, varying in their degree of structural changes to the original design, were examined with the intention of reducing the turbulent conditions at the siphon outlet. The model tests studied the flow patterns within the various siphon shapes, the flow losses, the priming times, and the behavior with air injected upstream of the siphon to simulate a free air-to-water concentration of up to 1% by volume. Extending the siphon outlet into the stilling basin by the addition of a roof positioned between the splitter wall and below the still water level proved to be very effective in reducing the flow conditions to more acceptable levels.

  1. Simulation and modeling of the Gamble II self-pinched ion beam transport experiment

    SciTech Connect

    Rose, D.V.; Ottinger, P.F.; Hinshelwood, D.D.

    1999-07-01

    Progress in numerical simulations and modeling of the self-pinched ion beam transport experiment at the Naval Research Laboratory (NRL) is reviewed. In the experiment, a 1.2-MeV, 100-kA proton beam enters a 1-m long, transport region filled with a low pressure gas (30--250 mTorr helium, or 1 Torr air). The time-dependent velocity distribution function of the injected ion beam is determined from an orbit code that uses a pinch-reflex ion diode model and the measured voltage and current from this diode on the Gamble II generator at NRL. This distribution function is used as the beam input condition for numerical simulations carried out using the hybrid particle-in-cell code IPROP. Results of the simulations will be described, and detailed comparisons will be made with various measurements, including line-integrated electron-density, proton-fluence, and beam radial-profile measurements. As observed in the experiment, the simulations show evidence of self-pinching for helium pressures between 35 and 80 mTorr. Simulations and measurements in 1 Torr air show ballistic transport. The relevance of these results to ion-driven inertial confinement fusion will be discussed.

  2. RF cell modeling and experiments for Wakefield minimization in DAHRT-II

    SciTech Connect

    Nelson, Scott D.; Vella, M.

    2000-08-18

    Electron beams of linear induction accelerators experience deflective forces caused by RF fields building up as a result of accelerating cavities of finite size. These forces can significantly effect the beam when a long linac composed of identical cells is assembled. Recent techniques in computational modeling, simulation, and experiments for 20 MeV DARHT-II (Dual Axis Radiographic Hydrodynamic Test) accelerator cells were found to reduce the wakefield impedance of the cells from 800 ohms/meter to 350 ohms/meter and experimental results confirm the results of the modeling efforts. Increased performance of the cell was obtained through a parametric study of the accelerator structure, materials, material tuning, and geometry. As a result of this effort, it was found that thickness-tuned ferrite produced a 50 percent deduction in the wake-field impedance in the low frequency band and was easily tunable based on the material thickness. It was also found that shaped metal sections alloy for high-Q resonances to be de-tuned, thus decreasing the amplitude of the resonance and increasing the cells performance. For the geometries used for this cell, a roughly 45 degree angle had the best performance in affecting the wakefield modes.

  3. Type II seesaw supersymmetric neutrino model for θ13≠0

    NASA Astrophysics Data System (ADS)

    Ahl Laamara, R.; Loualidi, M. A.; Saidi, E. H.

    2016-06-01

    Using the type II seesaw approach and properties of discrete flavor symmetry group representations, we build a supersymmetric A4×A3 neutrino model with θ13≠0 . After describing the basis of this model—which is beyond the minimal supersymmetric Standard Model—with a superfield spectrum containing flavons in A4×A3 representations, we first generate the tribimaximal neutrino mixing which is known to be in agreement with the mixing angles θ12 and θ23. Then, we give the scalar potential of the theory where the A3 discrete subsymmetry is used to avoid the so-called sequestering problem. We next study the deviation from the tribimaximal mixing matrix which is produced by perturbing the neutrino mass matrix with a nontrivial A4 singlet. Normal and inverted mass hierarchies are discussed numerically. We also study the breaking of A4 down to Z3 in the charged lepton sector, and use the branching ratio of the decay τ →μ μ e —which is allowed by the residual symmetry Z3—to get estimations on the mass of one of the flavons and the cutoff scale Λ of the model. Key words: Neutrino family symmetry, supersymmetry, deviation from TBM

  4. Kinetic and isotherm modeling of Cd (II) adsorption by L-cysteine functionalized multi-walled carbon nanotubes as adsorbent.

    PubMed

    Taghavi, Mahmoud; Zazouli, Mohammad Ali; Yousefi, Zabihollah; Akbari-adergani, Behrouz

    2015-11-01

    In this study, multi-walled carbon nanotubes were functionalized by L-cysteine to show the kinetic and isotherm modeling of Cd (II) ions onto L-cysteine functionalized multi-walled carbon nanotubes. The adsorption behavior of Cd (II) ion was studied by varying parameters including dose of L-MWCNTs, contact time, and cadmium concentration. Equilibrium adsorption isotherms and kinetics were also investigated based on Cd (II) adsorption tests. The results showed that an increase in contact time and adsorbent dosage resulted in increase of the adsorption rate. The optimum condition of the Cd (II) removal process was found at pH=7.0, 15 mg/L L-MWCNTs dosage, 6 mg/L cadmium concentration, and contact time of 60 min. The removal percent was equal to 89.56 at optimum condition. Langmuir and Freundlich models were employed to analyze the experimental data. The data showed well fitting with the Langmuir model (R2=0.994) with q max of 43.47 mg/g. Analyzing the kinetic data by the pseudo-first-order and pseudo-second-order equations revealed that the adsorption of cadmium using L-MWSNTs following the pseudo-second-order kinetic model with correlation coefficients (R2) equals to 0.998, 0.992, and 0.998 for 3, 6, and 9 mg/L Cd (II) concentrations, respectively. The experimental data fitted very well with the pseudo-second-order. Overall, treatment of polluted solution to Cd (II) by adsorption process using L-MWCNT can be considered as an effective technology.

  5. A stochastic optimization model under modeling uncertainty and parameter certainty for groundwater remediation design: part II. Model application.

    PubMed

    He, L; Huang, G H; Lu, H W

    2010-04-15

    A new stochastic optimization model under modeling uncertainty (SOMUM) and parameter certainty is applied to a practical site located in western Canada. Various groundwater remediation strategies under different significance levels are obtained from the SOMUM model. The impact of modeling uncertainty (proxy-simulator residuals) on optimal remediation strategies is compared to that of parameter uncertainty (arising from physical properties). The results show that the increased remediation cost for mitigating modeling-uncertainty impact would be higher than those from models where the coefficient of variance of input parameters approximates to 40%. This provides new evidence that the modeling uncertainty in proxy-simulator residuals can hardly be ignored; there is thus a need of investigating and mitigating the impact of such uncertainties on groundwater remediation design. This work would be helpful for lowering the risk of system failure due to potential environmental-standard violation when determining optimal groundwater remediation strategies.

  6. INFLUENCE OF TYPE II DIABETES, OBESITY, AND EXPOSURE TO 2, 3, 7, 8-TETRACHLORODIBENZO-P-DIOXIN (TCDD) EXPOSURE ON THE EXPRESSION OF HEPATIC CYP1A2 IN A MURIN MODEL OF TYPE II DIABETES

    EPA Science Inventory

    Influence of type II diabetes, obesity and exposure 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD) exposure on the expression of hepatic CYPIA2 in a murine model of type II diabetes. SJ Godin', VM Richardson2, JJ Diliberto2, LS Birnbaum', MJ DeVito2; 'Curriculum In Toxicology, UNC-CH...

  7. Coordination of two high-affinity hexamer peptides to copper(II) and palladium(II) models of the peptide-metal chelation site on IMAC resins

    SciTech Connect

    Chen, Y.; Pasquinelli, R.; Ataai, M.; Koepsel, R.R.; Kortes, R.A.; Shepherd, R.E.

    2000-03-20

    The coordination of peptides Ser-Pro-His-His-Gly-Gly (SPHHGG) and (His){sub 6} (HHHHHH) to [Pd{sup II}(mida)(D{sub 2}O)] (mida{sup 2{minus}} = N-methyliminodiacetate) was studied by {sup 1}H NMR as model reactions for Cu{sup II}(iminodiacetate)-immobilized metal affinity chromatography (IMAC) sites. This is the first direct physical description of peptide coordination for IMAC. A three-site coordination is observed which involves the first, third, and fourth residues along the peptide chain. The presence of proline in position 2 of SPHHGG achieves the best molecular mechanics and bonding angles in the coordinated peptide and enhances the interaction of the serine amino nitrogen. Histidine coordination of H{sub 1}, H{sub 3}, and H{sub 4} of (His){sub 6} and H{sub 3} and H{sub 4} of SPHHGG was detected by {sup 1}H NMR contact shifts and H/D exchange of histidyl protons. The EPR spectra of SPHHGG and HHHHHH attached to the [Cu{sup II}(mida)] unit were obtained for additional modeling of IMAC sites. EPR parameters of the parent [Cu(mida)(H{sub 2}O){sub 2}] complex are representative: g{sub zz} = 2.31; g{sub yy} = 2.086; g{sub xx} = 2.053; A{sub {vert_bar}{vert_bar}} = 161 G; A{sub N} = 19G (three line, one N coupling). Increased rhombic distortion is detected relative to the starting aqua complex in the order of [Cu(mida)L] for distortion of HHHHHH > SPHHGG > (H{sub 2}O){sub 2}. The lowering of symmetry is also seen in the decrease in the N-shf coupling, presumably to the imino nitrogen of mida{sup 2{minus}} in the order 19 G (H{sub 2}O), 16 G (SPHHGG) and 11 G (HHHHHH). Visible spectra of the [Cu(mida)(SPHHGG)] and [Cu(mida)(HHHHHH)] as a function of pH indicate coordination of one histidyl donor at ca. 4.5, two in the range of pH 5--7, and two chelate ring attachments involving the terminal amino donor for SPHHGG or another histidyl donor of HHHHHH in the pH domain of 7--8 in agreement with the [Pd{sup II}(mida)L] derivatives which form the two

  8. The Structure of the Homunculus. II. Modeling the Physical Conditions in η Carinae's Molecular Shell

    NASA Astrophysics Data System (ADS)

    Smith, Nathan; Ferland, Gary J.

    2007-02-01

    We present models that reproduce the observed double-shell structure of the Homunculus Nebula around η Carinae, including the stratification of infrared H2 and [Fe II] emission seen in data obtained with the Phoenix spectrograph on Gemini South, as well as the corresponding stratified grain temperature seen in thermal-infrared data. Tuning the model to match the observed shell thickness allows us to determine the threshold density that permits survival of H2. An average density of nH~=(0.5-1)×107 cm-3 in the outer zone is required to allow H2 to exist at all latitudes in the nebula, and for Fe+ to recombine to Fe0. This gives independent confirmation of the very large mass of the Homunculus, indicating a total of roughly 15-35 Msolar (although we note reasons why the lower end of this range is favored). At the interface between the atomic and molecular zones, we predict a sharp drop in the dust temperature, in agreement with the bimodal dust color temperatures observed in the two zones. In the outer molecular shell, the dust temperature drops to nearly the blackbody temperature, and becomes independent of grain size because of self-shielding at shorter UV wavelengths and increased heating at longer wavelengths. This relaxes constraints on large grain sizes suggested by near-blackbody color temperatures. Finally, from the strength of infrared [Fe II] emission in the inner shell we find that the gas-phase Fe abundance is roughly solar. This is astonishing in such a dusty object, where one normally expects gaseous iron to be depleted by 2 orders of magnitude. Based in part on observations obtained at the Gemini Observatory, which is operated by AURA, under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (US), the Particle Physics and Astronomy Research Council (UK), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), CNPq (Brazil), and CONICET (Argentina).

  9. Comprehensive Study of Educational Technology Programs Authorized from 1989-1992. Volume III: Level II Model Technology School Projects.

    ERIC Educational Resources Information Center

    Far West Lab. for Educational Research and Development, San Francisco, CA.

    This report, the third in a series of six, evaluates the 10 school districts that received grants from the California Department of Education to develop Level II Model Technology School (MTS) Projects intended to enhance instruction and student learning through a combination of curriculum improvement and integration of technology within a single…

  10. Decays of bottom mesons emitting tensor mesons in the final state using the Isgur-Scora-Grinstein-Wise II model

    SciTech Connect

    Sharma, Neelesh; Verma, R. C.; Dhir, Rohit

    2011-01-01

    In this paper, we investigate phenomenologically two-body weak decays of the bottom mesons emitting pseudoscalar/vector meson and a tensor meson. Form factors are obtained using the improved Isgur-Scora-Grinstein-Wise II model. Consequently, branching ratios for the Cabibbo-Kobayashi-Maskawa-favored and Cabibbo-Kobayashi-Maskawa-suppressed decays are calculated.

  11. Angiotensin II type 1 receptor antagonists in animal models of vascular, cardiac, metabolic and renal disease.

    PubMed

    Michel, Martin C; Brunner, Hans R; Foster, Carolyn; Huo, Yong

    2016-08-01

    We have reviewed the effects of angiotensin II type 1 receptor antagonists (ARBs) in various animal models of hypertension, atherosclerosis, cardiac function, hypertrophy and fibrosis, glucose and lipid metabolism, and renal function and morphology. Those of azilsartan and telmisartan have been included comprehensively whereas those of other ARBs have been included systematically but without intention of completeness. ARBs as a class lower blood pressure in established hypertension and prevent hypertension development in all applicable animal models except those with a markedly suppressed renin-angiotensin system; blood pressure lowering even persists for a considerable time after discontinuation of treatment. This translates into a reduced mortality, particularly in models exhibiting marked hypertension. The retrieved data on vascular, cardiac and renal function and morphology as well as on glucose and lipid metabolism are discussed to address three main questions: 1. Can ARB effects on blood vessels, heart, kidney and metabolic function be explained by blood pressure lowering alone or are they additionally directly related to blockade of the renin-angiotensin system? 2. Are they shared by other inhibitors of the renin-angiotensin system, e.g. angiotensin converting enzyme inhibitors? 3. Are some effects specific for one or more compounds within the ARB class? Taken together these data profile ARBs as a drug class with unique properties that have beneficial effects far beyond those on blood pressure reduction and, in some cases distinct from those of angiotensin converting enzyme inhibitors. The clinical relevance of angiotensin receptor-independent effects of some ARBs remains to be determined. PMID:27130806

  12. A plane stress finite element model for elastic-plastic mode I/II crack growth

    NASA Astrophysics Data System (ADS)

    James, Mark Anthony

    A finite element program has been developed to perform quasi-static, elastic-plastic crack growth simulations. The model provides a general framework for mixed-mode I/II elastic-plastic fracture analysis using small strain assumptions and plane stress, plane strain, and axisymmetric finite elements. Cracks are modeled explicitly in the mesh. As the cracks propagate, automatic remeshing algorithms delete the mesh local to the crack tip, extend the crack, and build a new mesh around the new tip. State variable mapping algorithms transfer stresses and displacements from the old mesh to the new mesh. The von Mises material model is implemented in the context of a non-linear Newton solution scheme. The fracture criterion is the critical crack tip opening displacement, and crack direction is predicted by the maximum tensile stress criterion at the crack tip. The implementation can accommodate multiple curving and interacting cracks. An additional fracture algorithm based on nodal release can be used to simulate fracture along a horizontal plane of symmetry. A core of plane strain elements can be used with the nodal release algorithm to simulate the triaxial state of stress near the crack tip. Verification and validation studies compare analysis results with experimental data and published three-dimensional analysis results. Fracture predictions using nodal release for compact tension, middle-crack tension, and multi-site damage test specimens produced accurate results for residual strength and link-up loads. Curving crack predictions using remeshing/mapping were compared with experimental data for an Arcan mixed-mode specimen. Loading angles from 0 degrees to 90 degrees were analyzed. The maximum tensile stress criterion was able to predict the crack direction and path for all loading angles in which the material failed in tension. Residual strength was also accurately predicted for these cases.

  13. Synthesis, molecular modeling and spectroscopic characterization of nickel(II), copper(II), complexes of new 16-membered mixed-donor macrocyclic schiff base ligand incorporating a pendant alcohol function

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Ruchi; Qanungo, Kushal; Sharma, Saroj K.

    2011-09-01

    Complexes of Cu(II) and Ni(II) of the composition [M(L)X] [where M = Ni(II), Cu(II) and X = Cl -, NO 3-, CH 3COO -] were synthesized with 1,5-dioxo-9,10-diaza-3,ol-tribenzo-(7,6,10,11,14,15) peptadecane, a N 2O 2 macrocyclic ligand. The complexes were characterized by elemental analysis, molar conductance measurements, UV-vis, IR, 1H NMR, 13C NMR, EPR and molecular modeling studies. All the complexes are non-electrolyte in nature. On the basis of spectral studies, an octahedral geometry has been assigned for Ni(II) complexes and a tetragonal geometry for Cu(II) complexes.

  14. Modeling ecological data in soil ecosystems: A demonstration for heavy metal transport by earthworms using Stella II{trademark}

    SciTech Connect

    Johnston, J.M.; Tomlin, A.D.; Protz, R. ||

    1995-06-01

    Various modeling approaches have been developed for use in aquatic systems, but few exist for terrestrial systems. Using the modeling application software, Stella II{trademark}, we incorporated field data to parameterize the storage compartments and flux rates amongst compartments. This software is intuitive and easy to master yet robust in its application to many types of ecological systems. The applicability of Stella II{trademark} to modeling field data was demonstrated using contaminant cadmium residues as tracers of sludge applications to land near Guelph, Canada. Earthworms were found to be very significant in transporting the Cd (and the sludge) in this soil ecosystem. The utility of this modeling procedure can be extended to carbon and nutrient cycling as well as xenobiotics such as heavy metals and pesticides to predict their transport in soil ecosystems.

  15. Salt II: Illusion and Reality. World Order Models Project. Working Paper Number Nine.

    ERIC Educational Resources Information Center

    Johansen, Robert C.

    The document discusses miscalculations by public officials, arms control experts, journalists, and the general public regarding the Strategic Arms Limitation Talks; assesses the Salt II treaty; and suggests criteria for appraising Salt II. The objective is to stimulate research, education, dialogue, and political action which will contribute to a…

  16. Search for non-standard model signatures in the WZ/ZZ final state at CDF run II

    SciTech Connect

    Norman, Matthew

    2009-01-01

    This thesis discusses a search for non-Standard Model physics in heavy diboson production in the dilepton-dijet final state, using 1.9 fb -1 of data from the CDF Run II detector. New limits are set on the anomalous coupling parameters for ZZ and WZ production based on limiting the production cross-section at high š. Additionally limits are set on the direct decay of new physics to ZZ andWZ diboson pairs. The nature and parameters of the CDF Run II detector are discussed, as are the influences that it has on the methods of our analysis.

  17. CHROMOSPHERIC DIAGNOSIS WITH Ca II LINES: FORWARD MODELING IN FORWARD SCATTERING. I

    SciTech Connect

    Carlin, E. S.; Ramos, A. Asensio

    2015-03-01

    This paper presents a synthetic tomography of the quiet solar chromosphere formed by spatial maps of scattering polarization. It has been calculated for the Ca II 8498, 8542, and 3934 Å lines by solving the non-LTE radiative transfer problem of the second kind in a three-dimensional atmosphere model obtained from realistic magneto-hydrodynamical simulations. Our investigation focuses on the linear polarization signals induced by kinematics, radiation field anisotropy, and the Hanle effect in forward-scattering geometry. Thus, instead of considering slit profiles at the limb as normally done in the study of the second solar spectrum, we synthesize and analyze spatial maps of polarization at the disk center. This allows us to understand the spatial signatures of dynamics and magnetic field in the linear polarization in order to discriminate them observationally. Our results suggest some ideas for chromospheric diagnosis that will be developed throughout a series of papers. In particular, Hanle polarity inversion lines and dynamic Hanle diagrams are two concepts introduced in the present work. We find that chromospheric dynamics and magnetic field topology create spatial polarization fingerprints that trace the dynamic situation of the plasma and the magnetic field. This allows us to reconstruct the magnetic field intensity in the middle chromosphere using Stokes V along grooves of null linear polarization. We finally address the problems of diagnosing Hanle saturation and kinematic amplification of scattering signals using Hanle diagrams.

  18. Annotation of genomics data using bidirectional hidden Markov models unveils variations in Pol II transcription cycle

    PubMed Central

    Zacher, Benedikt; Lidschreiber, Michael; Cramer, Patrick; Gagneur, Julien; Tresch, Achim

    2014-01-01

    DNA replication, transcription and repair involve the recruitment of protein complexes that change their composition as they progress along the genome in a directed or strand-specific manner. Chromatin immunoprecipitation in conjunction with hidden Markov models (HMMs) has been instrumental in understanding these processes, as they segment the genome into discrete states that can be related to DNA-associated protein complexes. However, current HMM-based approaches are not able to assign forward or reverse direction to states or properly integrate strand-specific (e.g., RNA expression) with non-strand-specific (e.g., ChIP) data, which is indispensable to accurately characterize directed processes. To overcome these limitations, we introduce bidirectional HMMs which infer directed genomic states from occupancy profiles de novo. Application to RNA polymerase II-associated factors in yeast and chromatin modifications in human T cells recovers the majority of transcribed loci, reveals gene-specific variations in the yeast transcription cycle and indicates the existence of directed chromatin state patterns at transcribed, but not at repressed, regions in the human genome. In yeast, we identify 32 new transcribed loci, a regulated initiation–elongation transition, the absence of elongation factors Ctk1 and Paf1 from a class of genes, a distinct transcription mechanism for highly expressed genes and novel DNA sequence motifs associated with transcription termination. We anticipate bidirectional HMMs to significantly improve the analyses of genome-associated directed processes. PMID:25527639

  19. Vitamin C Depletion in Prenatal Guinea Pigs as a Model of Lissencephaly Type II.

    PubMed

    Čapo, I; Hinić, N; Lalošević, D; Vučković, N; Stilinović, N; Marković, J; Sekulić, S

    2015-11-01

    Humans and guinea pigs are unable to produce vitamin C, with deficiency resulting in a well-known disorder of collagen synthesis. Pial basement membrane structure preservation is essential in the proper migration of neurons. In our study, intrauterine deprivation of vitamin C in guinea pig fetuses led to a collagen synthesis disorder, weakness, and finally a breach of pial basement membrane. We found excessive migration of the external germinal layer cells into the subarachnoid space of the cerebellum through defects in the pial basement membrane. The changes ranged from focal rupture of pial basement membranes to their complete disintegration. The loss of proper folia formation resulted in macroscopically visible flattening of the cerebellar surface. Different grades of dysplastic changes in the folia of the cerebellar cortex were observed in 2 experimental groups assigned different limits to mark the time of commencement and duration of vitamin C deprivation. The most severe form of dysplastic changes was characterized by marked irregularity of the cerebellar cortex similar to that in lissencephaly type II. Thus, prenatal vitamin C deficiency represents a novel animal model to study the effects of collagen synthesis on development of breaches in the pial basement membrane, disordered migration of neurons, dysplasia of cerebellar cortex, and the pathogenesis of lissencephaly. PMID:25487414

  20. Modeling Pb (II) adsorption from aqueous solution by ostrich bone ash using adaptive neural-based fuzzy inference system.

    PubMed

    Amiri, Mohammad J; Abedi-Koupai, Jahangir; Eslamian, Sayed S; Mousavi, Sayed F; Hasheminejad, Hasti

    2013-01-01

    To evaluate the performance of Adaptive Neural-Based Fuzzy Inference System (ANFIS) model in estimating the efficiency of Pb (II) ions removal from aqueous solution by ostrich bone ash, a batch experiment was conducted. Five operational parameters including adsorbent dosage (C(s)), initial concentration of Pb (II) ions (C(o)), initial pH, temperature (T) and contact time (t) were taken as the input data and the adsorption efficiency (AE) of bone ash as the output. Based on the 31 different structures, 5 ANFIS models were tested against the measured adsorption efficiency to assess the accuracy of each model. The results showed that ANFIS5, which used all input parameters, was the most accurate (RMSE = 2.65 and R(2) = 0.95) and ANFIS1, which used only the contact time input, was the worst (RMSE = 14.56 and R(2) = 0.46). In ranking the models, ANFIS4, ANFIS3 and ANFIS2 ranked second, third and fourth, respectively. The sensitivity analysis revealed that the estimated AE is more sensitive to the contact time, followed by pH, initial concentration of Pb (II) ions, adsorbent dosage, and temperature. The results showed that all ANFIS models overestimated the AE. In general, this study confirmed the capabilities of ANFIS model as an effective tool for estimation of AE. PMID:23383640

  1. Validated Competing Event Model for the Stage I-II Endometrial Cancer Population

    SciTech Connect

    Carmona, Ruben; Gulaya, Sachin; Murphy, James D.; Rose, Brent S.; Wu, John; Noticewala, Sonal; McHale, Michael T.; Yashar, Catheryn M.; Vaida, Florin; Mell, Loren K.

    2014-07-15

    Purpose/Objectives(s): Early-stage endometrial cancer patients are at higher risk of noncancer mortality than of cancer mortality. Competing event models incorporating comorbidity could help identify women most likely to benefit from treatment intensification. Methods and Materials: 67,397 women with stage I-II endometrioid adenocarcinoma after total hysterectomy diagnosed from 1988 to 2009 were identified in Surveillance, Epidemiology, and End Results (SEER) and linked SEER-Medicare databases. Using demographic and clinical information, including comorbidity, we sought to develop and validate a risk score to predict the incidence of competing mortality. Results: In the validation cohort, increasing competing mortality risk score was associated with increased risk of noncancer mortality (subdistribution hazard ratio [SDHR], 1.92; 95% confidence interval [CI], 1.60-2.30) and decreased risk of endometrial cancer mortality (SDHR, 0.61; 95% CI, 0.55-0.78). Controlling for other variables, Charlson Comorbidity Index (CCI) = 1 (SDHR, 1.62; 95% CI, 1.45-1.82) and CCI >1 (SDHR, 3.31; 95% CI, 2.74-4.01) were associated with increased risk of noncancer mortality. The 10-year cumulative incidences of competing mortality within low-, medium-, and high-risk strata were 27.3% (95% CI, 25.2%-29.4%), 34.6% (95% CI, 32.5%-36.7%), and 50.3% (95% CI, 48.2%-52.6%), respectively. With increasing competing mortality risk score, we observed a significant decline in omega (ω), indicating a diminishing likelihood of benefit from treatment intensification. Conclusion: Comorbidity and other factors influence the risk of competing mortality among patients with early-stage endometrial cancer. Competing event models could improve our ability to identify patients likely to benefit from treatment intensification.

  2. Dimensional and hierarchical models of depression using the Beck Depression Inventory-II in an Arab college student sample

    PubMed Central

    2010-01-01

    Background An understanding of depressive symptomatology from the perspective of confirmatory factor analysis (CFA) could facilitate valid and interpretable comparisons across cultures. The objectives of the study were: (i) using the responses of a sample of Arab college students to the Beck Depression Inventory (BDI-II) in CFA, to compare the "goodness of fit" indices of the original dimensional three-and two-factor first-order models, and their modifications, with the corresponding hierarchical models (i.e., higher - order and bifactor models); (ii) to assess the psychometric characteristics of the BDI-II, including convergent/discriminant validity with the Hopkins Symptom Checklist (HSCL-25). Method Participants (N = 624) were Kuwaiti national college students, who completed the questionnaires in class. CFA was done by AMOS, version 16. Eleven models were compared using eight "fit" indices. Results In CFA, all the models met most "fit" criteria. While the higher-order model did not provide improved fit over the dimensional first - order factor models, the bifactor model (BFM) had the best fit indices (CMNI/DF = 1.73; GFI = 0.96; RMSEA = 0.034). All regression weights of the dimensional models were significantly different from zero (P < 0.001). Standardized regression weights were mostly 0.27-0.60, and all covariance paths were significantly different from zero. The regression weights of the BFM showed that the variance related to the specific factors was mostly accounted for by the general depression factor, indicating that the general depression score is an adequate representation of severity. The BDI-II had adequate internal consistency and convergent/discriminant validity. The mean BDI score (15.5, SD = 8.5) was significantly higher than those of students from other countries (P < 0.001). Conclusion The broadly adequate fit of the various models indicates that they have some merit and implies that the relationship between the domains of depression probably

  3. Bulk Scattering Properties for the Remote Sensing of Ice Clouds. Part II: Narrowband Models.

    NASA Astrophysics Data System (ADS)

    Baum, Bryan A.; Yang, Ping; Heymsfield, Andrew J.; Platnick, Steven; King, Michael D.; Hu, Y.-X.; Bedka, Sarah T.

    2005-12-01

    This study examines the development of bulk single-scattering properties of ice clouds, including single-scattering albedo, asymmetry factor, and phase function, for a set of 1117 particle size distributions obtained from analysis of the First International Satellite Cloud Climatology Project Regional Experiment (FIRE)-I, FIRE-II, Atmospheric Radiation Measurement Program intensive observation period, Tropical Rainfall Measuring Mission Kwajalein Experiment (KWAJEX), and the Cirrus Regional Study of Tropical Anvils and Cirrus Layers (CRYSTAL) Florida Area Cirrus Experiment (FACE) data. The primary focus is to develop band-averaged models appropriate for use by the Moderate Resolution Imaging Spectroradiometer (MODIS) imager on the Earth Observing System Terra and Aqua platforms, specifically for bands located at wavelengths of 0.65, 1.64, 2.13, and 3.75 μm. The results indicate that there are substantial differences in the bulk scattering properties of ice clouds formed in areas of deep convection and those that exist in areas of much lower updraft velocities. Band-averaged bulk scattering property results obtained from a particle-size-dependent mixture of ice crystal habits are compared with those obtained assuming only solid hexagonal columns. The single-scattering albedo is lower for hexagonal columns than for a habit mixture for the 1.64-, 2.13-, and 3.75-μm bands, with the differences increasing with wavelength. In contrast, the asymmetry factors obtained from the habit mixture and only the solid hexagonal column are most different at 0.65 μm, with the differences decreasing as wavelength increases. At 3.75 μm, the asymmetry factor results from the two habit assumptions are almost indistinguishable. The asymmetry factor, single-scattering albedo, and scattering phase functions are also compared with the MODIS version-1 (V1) models. Differences between the current and V1 models can be traced to the microphysical models and specifically to the number of both

  4. Model membrane interaction and DNA-binding of antimicrobial peptide Lasioglossin II derived from bee venom.

    PubMed

    Bandyopadhyay, Susmita; Lee, Meryl; Sivaraman, J; Chatterjee, Chiradip

    2013-01-01

    Lasioglossins, a new family of antimicrobial peptide, have been shown to have strong antimicrobial activity with low haemo-lytic and mast cell degranulation activity, and exhibit cytotoxic activity against various cancer cells in vitro. In order to understand the active conformation of these pentadecapeptides in membranes, we have studied the interaction of Lasioglossin II (LL-II), one of the members of Lasioglossins family with membrane mimetic micelle Dodecylphosphocholine (DPC) by fluorescence, Circular Dichroism (CD) and two dimensional (2D) (1)H NMR spectroscopy. Fluorescence experiments provide evidence of interaction of the N-terminal tryptophan residue of LL-II with the hydrophobic core of DPC micelle. CD results show an extended chain conformation of LL-II in water which is converted to a partial helical conformation in the presence of DPC micelle. Moreover we have determined the first three-dimensional NMR structure of LL-II bound to DPC micelle with rmsd of 0.36Å. The solution structure of LL-II shows hydrophobic and hydrophilic core formation in peptide pointing towards different direction in the presence of DPC. This amphipathic structure may allow this peptide to penetrate deeply into the interfacial region of negatively charged membranes and leading to local membrane destabilization. Further we have elucidated the DNA binding ability of LL-II by agarose gel retardation and fluorescence quenching experiments.

  5. The effects of NSAIDs on types I, II, and III collagen metabolism in a rat osteoarthritis model.

    PubMed

    Ou, Yun-Sheng; Tan, Chao; An, Hong; Jiang, Dian-Ming; Quan, Zheng-Xue; Tang, Ke; Luo, Xiao-Ji

    2012-08-01

    The effects of long-term use of celecoxib, ibuprofen, and indomethacin on types I, II, and III collagen metabolism were evaluated in rat osteoarthritis (OA) model. One hundred and thirty wistar rats were randomly divided into 4 groups: the celecoxib group, the ibuprofen group, the indomethacin group, and the normal saline group. The osteoarthritis was induced by the excision of the left Achilles tendon. In the 3rd, 6th, and 9th month of treatment after surgically induced osteoarthritis, the articular cartilage was observed with microscope using HE staining. The expression of proteoglycans was semiquantified using toluidine blue staining. And, the expressions of types I, II, and III collagen in chondrocytes were examined using immunohistochemistry. The results suggested that celecoxib had no remarkable effects on the expression of types I, II, and III collagen. Ibuprofen upgraded the expression of types I, II, and III collagen and increased the synthesis of collagen. Indomethacin suppressed the expression of type II collagen and enhanced the expression of types I and III collagen. Therefore, during the long-term use of NSAIDs in osteoarthritis, celecoxib may have no remarkable influences on collagen metabolism of the articular cartilage and may be the ideal choice in the treatment of chronic destructive joint disease when anti-inflammatory drugs need to be used for a prolonged period. Ibuprofen may be unfavorable, and indomethacin may be harmful to collagen metabolism in OA treatment.

  6. Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: Synthesis, spectroscopic characterization, molecular modeling and fungicidal study

    NASA Astrophysics Data System (ADS)

    Chandra, Sulekh; Gautam, Seema; Kumar, Amit; Madan, Molly

    2015-02-01

    Complexes of nickel(II), and copper(II) were synthesized with pantadentate ligand i.e. 3,3‧-thiodipropionicacid-bis(5-amino-1,3,4-thiadiazole-2-thiol) (L). The ligand was synthesized by the condensation of thiodipropionic acid and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio, respectively. Synthesized ligand was characterized by elemental analysis, mass, 1H NMR, IR, and molecular modeling. All the complexes were characterized by elemental analysis, molar conductance, magnetic moment, IR, electronic spectra, ESR, and molecular modeling. The newly synthesized complexes possessed general composition [M(L)X2] where M = Ni(II), Cu(II), L = pantadentate ligand and X = Cl-, CH3COO-. The IR spectral data indicated that the ligand behaved as a pantadentate ligand and coordinated to the metal ion through N2S3 donor atoms. The molar conductance value of Ni(II), and Cu(II) complexes in DMSO corresponded to their electrolytic behavior. On the basis of spectral study, octahedral and tetragonal geometry was assigned for Ni(II) and Cu(II) complexes, respectively. In vitro fungicidal study of ligand and its complexes was investigated against fungi Candida albicans, Candida parapsilosis, Candidia krusei, and Candida tropicalis by means of well diffusion method.

  7. Coordination mode of pentadentate ligand derivative of 5-amino-1,3,4-thiadiazole-2-thiol with nickel(II) and copper(II) metal ions: synthesis, spectroscopic characterization, molecular modeling and fungicidal study.

    PubMed

    Chandra, Sulekh; Gautam, Seema; Kumar, Amit; Madan, Molly

    2015-02-01

    Complexes of nickel(II), and copper(II) were synthesized with pantadentate ligand i.e. 3,3'-thiodipropionicacid-bis(5-amino-1,3,4-thiadiazole-2-thiol) (L). The ligand was synthesized by the condensation of thiodipropionic acid and 5-amino-1,3,4-thiadiazole-2-thiol in 1:2 ratio, respectively. Synthesized ligand was characterized by elemental analysis, mass, (1)H NMR, IR, and molecular modeling. All the complexes were characterized by elemental analysis, molar conductance, magnetic moment, IR, electronic spectra, ESR, and molecular modeling. The newly synthesized complexes possessed general composition [M(L)X2] where M = Ni(II), Cu(II), L = pantadentate ligand and X = Cl(-), CH3COO(-). The IR spectral data indicated that the ligand behaved as a pantadentate ligand and coordinated to the metal ion through N2S3 donor atoms. The molar conductance value of Ni(II), and Cu(II) complexes in DMSO corresponded to their electrolytic behavior. On the basis of spectral study, octahedral and tetragonal geometry was assigned for Ni(II) and Cu(II) complexes, respectively. In vitro fungicidal study of ligand and its complexes was investigated against fungi Candida albicans, Candida parapsilosis, Candidia krusei, and Candida tropicalis by means of well diffusion method.

  8. A two-dimensional model study of the QBO signal in SAGE II NO2 and O3

    NASA Technical Reports Server (NTRS)

    Chipperfield, M. P.; Gray, L. J.; Kinnersley, J. S.; Zawodny, J.

    1994-01-01

    Calculations of the quasi biennial oscillation (QBO) signal in Stratospheric Aerosol and Gas Experiment (SAGE) II O3 and NO2 data between 1984 and 1991 are presented and have been investigated by using a two-dimensional model. The isentropic 2D model is a fully interactive radiative-dynamical-chemical model in which the eddy fluxes of chemical species are calculated in a consistent manner. The QBO in the model has been forced by relaxing the equatorial zonal wind toward the observations at Singapore allowing the comparison of the model with observations from specific years. The model reproduces the observed vertical structure of the equatorial ozone anomaly with the well-known transition from dynamical to photochemical control at around 28km. The model also reproduces the observed vertical structure of the SAGE II observed NO2 anomaly. The model studies have shown that it is the QBO modulation of NO2 which the main cause of QBO signal in O3 above 30 km. The model also reproduces the observed latitudinal structure of the QBO signals in O3 and NO2. Due to the differing horizontal distribution of O3 and NO(y) the ozone signal shows a distinct phase change in the subtropics whereas the NO2 anomaly gives a broader signal.

  9. Modeling of Type II Chondrule Compositions in CO3 Chondrites — Constrains on the Conditions of Chondrule Formation and Thermal Metamorphism

    NASA Astrophysics Data System (ADS)

    Schwinger, S.; Dohmen, R.; Schertl, H.-P.

    2016-08-01

    Using a combined fractional crystallization and diffusion modeling approach we model the chemical zoning in type II chondrule minerals of CO3 chondrites to constrain their thermal evolution during chondrule formation and parent body metamorphism.

  10. The Chemical Properties of Milky Way and M31 Globular Clusters. II. Stellar Population Model Predictions

    NASA Astrophysics Data System (ADS)

    Beasley, Michael A.; Brodie, Jean P.; Strader, Jay; Forbes, Duncan A.; Proctor, Robert N.; Barmby, Pauline; Huchra, John P.

    2005-03-01

    We derive ages, metallicities, and abundance ratios ([α/Fe]) from the integrated spectra of 23 globular clusters in M31 by employing multivariate fits to two different stellar population models. We also perform a parallel analysis on 21 Galactic globular clusters as a consistency check and in order to facilitate a differential analysis. Our analysis shows that the M31 globular clusters separate into three distinct components in age and metallicity; we identify an old, metal-poor group (seven clusters), an old, metal-rich group (10 clusters), and an intermediate-age (3-6 Gyr), intermediate-metallicity ([Z/H]~-1) group (six clusters). This third group is not identified in the Galactic globular cluster sample. We also see evidence that the old, metal-rich Galactic globular clusters are 1-2 Gyr older than their counterparts in M31. The majority of globular clusters in both samples appear to be enhanced in α-elements, but the degree of enhancement is rather model-dependent. The intermediate-age globular clusters appear to be the most enhanced, with [α/Fe]~0.4. These clusters are clearly depressed in CN with respect to the models and the bulk of the M31 and Milky Way sample. Compared with the bulge of M31, M32, and NGC 205, these clusters most resemble the stellar populations in NGC 205 in terms of age, metallicity, and CN abundance. We infer horizontal branch morphologies for the M31 clusters using the Rose Ca II index and demonstrate that blue horizontal branches are not leading to erroneous age estimates in our analysis. We discuss and reject as unlikely the hypothesis that these objects are in fact foreground stars contaminating the optical catalogs. The intermediate-age clusters have generally higher velocities than the bulk of the M31 cluster population. Spatially, three of these clusters are projected onto the bulge region, and the remaining three are distributed at large radii. We discuss these objects within the context of the build-up of the M31 halo and

  11. Raman Scattered He II 4332 and Photoionization Model in the Symbiotic Star V1016 Cygni

    NASA Astrophysics Data System (ADS)

    Lee, H.-W.; Heo, J.-E.; Lee, B.-C.

    2014-08-01

    Symbiotic stars are wide binary systems of a white dwarf and a mass losing giant. They exhibit unique Raman scattered features as a result of inelastic scattering of far UV line photons by atomic hydrogen. Co-existence of a far UV He II emission region and a thick H I region in symbiotic stars is necessary for the formation of Raman-scattered features blueward of hydrogen Balmer emission lines. Being a single electron atom, He II has the same atomic structure as the hydrogen atom and hence emits far UV emission lines that are slightly blueward of hydrogen Lyman lines. These far UV He II emission lines can be Raman scattered to appear blueward of hydrogen Balmer lines. In particular, the symbiotic star V1016 Cyg is found to exhibit Raman scattered He II 4332 feature in the BOES high resolution spectrum. Our profile fitting of Raman scattered He II 4332 is consistent with the mass loss geometry proposed by Jung & Lee (2004). We use the photoionization code ‘ CLOUDY' to estimate the far UV He II emission lines and make comparisons with the observed Raman scattered He II 4332 blueward of Hγ in the high resolution echelle V1016 Cyg. The emission nebula is assumed to be of uniform density of 108 cm-3 that is illuminated by a black body characterized by its temperature and total luminosity. With our comparisons we conclude that the Raman scattered He II features are consistent with the existence of a photoionized nebula by a hot black body source with temperature 7-8× 104 K with a luminosity 1038erg s-1.

  12. Final Report: Phase II Nevada Water Resources Data, Modeling, and Visualization (DMV) Center

    SciTech Connect

    Jackman, Thomas; Minor, Timothy; Pohll, Gregory

    2013-07-22

    Water is unquestionably a critical resource throughout the United States. In the semi-arid west -- an area stressed by increase in human population and sprawl of the built environment -- water is the most important limiting resource. Crucially, science must understand factors that affect availability and distribution of water. To sustain growing consumptive demand, science needs to translate understanding into reliable and robust predictions of availability under weather conditions that could be average but might be extreme. These predictions are needed to support current and long-term planning. Similar to the role of weather forecast and climate prediction, water prediction over short and long temporal scales can contribute to resource strategy, governmental policy and municipal infrastructure decisions, which are arguably tied to the natural variability and unnatural change to climate. Change in seasonal and annual temperature, precipitation, snowmelt, and runoff affect the distribution of water over large temporal and spatial scales, which impact the risk of flooding and the groundwater recharge. Anthropogenic influences and impacts increase the complexity and urgency of the challenge. The goal of this project has been to develop a decision support framework of data acquisition, digital modeling, and 3D visualization. This integrated framework consists of tools for compiling, discovering and projecting our understanding of processes that control the availability and distribution of water. The framework is intended to support the analysis of the complex interactions between processes that affect water supply, from controlled availability to either scarcity or deluge. The developed framework enables DRI to promote excellence in water resource management, particularly within the Lake Tahoe basin. In principle, this framework could be replicated for other watersheds throughout the United States. Phase II of this project builds upon the research conducted during

  13. Plumes and Blooms: Modeling the Case II Waters of the Santa Barbara Channel. Chapter 15

    NASA Technical Reports Server (NTRS)

    Siegel, D. A.; Maritorena, S.; Nelson, N. B.

    2003-01-01

    The goal of the Plumes and Blooms (PnB) project is to develop, validate and apply to imagery state-of-the-art ocean color algorithms for quantifying sediment plumes and phytoplankton blooms for the Case II environment of the Santa Barbara Channel. We conduct monthly to twice-monthly transect observations across the Santa Barbara Channel to develop an algorithm development and product validation data set. The PnB field program started in the summer of 1996. At each of the 7 PnB stations, a complete verification bio-geo-optical data set is collected. Included are redundant measures of apparent optical properties (remote sensing reflectance and diffuse attenuation spectra), as well as in situ profiles of spectral absorption, beam attenuation and backscattering coefficients. Water samples are analyzed for component in vivo absorption spectra, fluorometric chlorophyll, phytoplankton pigment (by the SDSU CHORS laboratory), and inorganic nutrient concentrations. A primary goal is to use the PnB field data set to objectively tune semi-analytical models of ocean color for this site and apply them using available satellite imagery (SeaWiFS and MODIS). In support of this goal, we have also been addressing SeaWiFS ocean color and AVHRR SST imagery. We also are using the PnB data set to address time/space variability of water masses in the Santa Barbara Channel and its relationship to the 1997/1998 El Nino. However, the comparison between PnB field observations and satellite estimates of primary products has been disappointing. We find that field estimates of water-leaving radiance, L(sub wN)(lambda), correspond poorly to satellite estimates for both SeaWiFS and MODIS local area coverage imagery. We believe this is due to poor atmospheric correction due to complex mixtures of aerosol types found in these near-coastal regions. Last, we remain active in outreach activities.

  14. Evaluation of anti-diabetic activity of Glucova Active Tablet on Type I and Type II diabetic model in rats

    PubMed Central

    Soni, Hardik; Patel, Sejal; Patel, Ghanshyam; Paranjape, Archana

    2014-01-01

    Background: Glucova Active Tablet is a proprietary Ayurvedic formulation with ingredients reported for anti-hyperglycemic, anti-hyperlipidemic activity and antioxidant properties. Objective: Evaluation of anti-diabetic activity of Glucova Active Tablet on Type I and Type II diabetic model in rats. Materials and Methods: Experimental Type I diabetes was induced in 24 albino rats with intra-peritoneal injection of streptozotocin (50 mg/kg). Type II diabetes was induced in 18 albino rats by intra-peritoneal injection of streptozotocin (35 mg/kg) along with high fat diet. The rats were divided in 5 groups for Type I model and 4 groups for Type II model. Normal control group was kept common for both experimental models. Glucova Active Tablet (108 mg/kg) treatment was provided for 28 days twice daily orally. Fasting blood glucose level, serum lipid profile and liver anti-oxidant parameters like superoxide dismutase and reduced glutathione was carried out in both experimental models. Pancreas histopathology was also done. Statistical analysis were done by ‘analysis of variance’ test followed by post hoc Tukey's test, with significant level of P < 0.05. Results and Discussion: Glucova Active Tablet showed significant effect on fasting blood glucose level. It also showed significant alteration in lipid profile and antioxidant parameters. Histopathology study revealed restoration of beta cells in pancreas in Glucova Active Tablet treated group. Conclusion: Finding of this study concludes that Glucova Active Tablet has shown promising anti-diabetic activity in Type I and Type II diabetic rats. It was also found showing good anti-hyperlipidemic activity and anti-oxidant property. PMID:24948860

  15. Stress Analysis of a Class II MO-Restored Tooth Using a 3D CT-Based Finite Element Model

    PubMed Central

    Chan, Yiu Pong; Tang, Chak Yin; Gao, Bo

    2012-01-01

    A computational method has been developed for stress analysis of a restored tooth so that experimental effort can be minimized. The objectives of this study include (i) developing a method to create a 3D FE assembly model for a restored tooth based on CT images and (ii) conducting stress analysis of the restored tooth using the 3D FE model established. To build up a solid computational model of a tooth, a method has been proposed to construct a 3D model from 2D CT-scanned images. Facilitated with CAD tools, the 3D tooth model has been virtually incorporated with a Class II MO restoration. The tooth model is triphasic, including the enamel, dentin, and pulp phases. To mimic the natural constraint on the movement of the tooth model, its corresponding mandible model has also been generated. The relative high maximum principal stress values were computed at the surface under loading and in the marginal region of the interface between the restoration and the tooth phases. PMID:22844287

  16. Electronic Structure of a CuII-Alkoxide Complex Modeling Intermediates in Copper-Catalyzed Alcohol Oxidations

    PubMed Central

    Hayes, Ellen C.; Porter, Thomas R.; Barrows, Charles J.; Kaminsky, Werner; Mayer, James M.; Stoll, Stefan

    2016-01-01

    In the copper-catalyzed oxidation of alcohols to aldehydes, a CuII-alkoxide (CuII-OR) intermediate is believed to modulate the αC-H bond strength of the deprotonated substrate to facilitate the oxidation. As a structural model for these intermediates, we characterized the electronic structure of the stable compound TptBuCuII(OCH2CF3) (TptBu = (hydro-tris (3-tert-butyl-pyrazolyl) borate) and investigated the influence of the trifluoroethoxide ligand on the electronic structure of the complex. The compound exhibits an electron paramagnetic resonance (EPR) spectrum with an unusually large gzz value of 2.44 and a small copper hyperfine coupling Azz of 40·10−4 cm−1 (120 MHz). Single-crystal electron nuclear double resonance (ENDOR) spectra show that the unpaired spin population is highly localized on the copper ion (≈ 68 %), with no more than 15 % on the ethoxide oxygen. Electronic absorption and magnetic circular dichroism (MCD) spectra show weak ligand-field transitions between 5000 and 12000 cm−1 and an intense ethoxide-to-copper charge transfer (LMCT) transition at 24000 cm−1, resulting in the red color of this complex. Resonance Raman (rR) spectroscopy reveals a Cu-O stretch mode at 592 cm−1. Quantum chemical calculations support the interpretation and assignment of the experimental data. Compared to known CuII-thiolate and CuII-alkylperoxo complexes from the literature, we found an increased σ interaction in the CuII-OR bond that results in the spectroscopic features. These insights lay the basis for further elucidating the mechanism of copper-catalyzed alcohol oxidations. PMID:26907976

  17. Electronic Structure of a Cu(II)-Alkoxide Complex Modeling Intermediates in Copper-Catalyzed Alcohol Oxidations.

    PubMed

    Hayes, Ellen C; Porter, Thomas R; Barrows, Charles J; Kaminsky, Werner; Mayer, James M; Stoll, Stefan

    2016-03-30

    In the copper-catalyzed oxidation of alcohols to aldehydes, a Cu(II)-alkoxide (Cu(II)-OR) intermediate is believed to modulate the αC-H bond strength of the deprotonated substrate to facilitate the oxidation. As a structural model for these intermediates, we characterized the electronic structure of the stable compound Tp(tBu)Cu(II)(OCH2CF3) (Tp(tBu) = hydro-tris(3-tert-butyl-pyrazolyl)borate) and investigated the influence of the trifluoroethoxide ligand on the electronic structure of the complex. The compound exhibits an electron paramagnetic resonance (EPR) spectrum with an unusually large gzz value of 2.44 and a small copper hyperfine coupling Azz of 40 × 10(-4) cm(-1) (120 MHz). Single-crystal electron nuclear double resonance (ENDOR) spectra show that the unpaired spin population is highly localized on the copper ion (≈68%), with no more than 15% on the ethoxide oxygen. Electronic absorption and magnetic circular dichroism (MCD) spectra show weak ligand-field transitions between 5000 and 12,000 cm(-1) and an intense ethoxide-to-copper charge transfer (LMCT) transition at 24,000 cm(-1), resulting in the red color of this complex. Resonance Raman (rR) spectroscopy reveals a Cu-O stretch mode at 592 cm(-1). Quantum chemical calculations support the interpretation and assignment of the experimental data. Compared to known Cu(II)-thiolate and Cu(II)-alkylperoxo complexes from the literature, we found an increased σ interaction in the Cu(II)-OR bond that results in the spectroscopic features. These insights lay the basis for further elucidating the mechanism of copper-catalyzed alcohol oxidations. PMID:26907976

  18. A model of nitrous oxide evolution from soil driven by rainfall events. I - Model structure and sensitivity. II - Model applications

    NASA Technical Reports Server (NTRS)

    Changsheng, LI; Frolking, Steve; Frolking, Tod A.

    1992-01-01

    Simulations of N2O and CO2 emissions from soils were conducted with a rain-event driven, process-oriented model (DNDC) of nitrogen and carbon cycling processes in soils. The magnitude and trends of simulated N2O (or N2O + N2) and CO2 emissions were consistent with the results obtained in field experiments. The successful simulation of these emissions from the range of soil types examined demonstrates that the DNDC will be a useful tool for the study of linkages among climate, soil-atmosphere interactions, land use, and trace gas fluxes.

  19. An exploratory study of proficient undergraduate Chemistry II students' application of Lewis's model

    NASA Astrophysics Data System (ADS)

    Lewis, Sumudu R.

    This exploratory study was based on the assumption that proficiency in chemistry must not be determined exclusively on students' declarative and procedural knowledge, but it should be also described as the ability to use variety of reasoning strategies that enrich and diversify procedural methods. The study furthermore assumed that the ability to describe the structure of a molecule using Lewis's model and use it to predict its geometry as well as some of its properties is indicative of proficiency in the essential concepts of covalent bonding and molecule structure. The study therefore inquired into the reasoning methods and procedural techniques of proficient undergraduate Chemistry II students when solving problems, which require them to use Lewis's model. The research design included an original survey, designed by the researcher for this study, and two types of interviews, with students and course instructors. The purpose of the survey was two-fold. First and foremost, the survey provided a base for the student interview selection, and second it served as the foundation for the inquiry into the strategies the student use when solving survey problems. Twenty two students were interviewed over the course of the study. The interview with six instructors allowed to identify expected prior knowledge and skills, which the students should have acquired upon completion of the Chemistry I course. The data, including videos, audios, and photographs of the artifacts produced by students during the interviews, were organized and analyzed manually and using QSR NVivo 10. The research found and described the differences between proficient and non-proficient students' reasoning and procedural strategies when using Lewis's model to describe the structure of a molecule. One of the findings clearly showed that the proficient students used a variety of cues to reason, whereas other students used one memorized cue, or an algorithm, which often led to incorrect representations in

  20. MEDSLIK-II, a Lagrangian marine oil spill model for short-term forecasting - Part 1: Theory

    NASA Astrophysics Data System (ADS)

    De Dominicis, M.; Pinardi, N.; Zodiatis, G.

    2013-03-01

    The processes of transport, diffusion and transformation of surface oil in seawater can be simulated using a Lagrangian model formalism coupled with Eulerian circulation models. This paper describes the formalism and the conceptual assumptions of a Lagrangian marine oil slick numerical model and re-writes the constitutive equations in a modern mathematical framework. The Lagrangian numerical representation of the oil slick requires three different state variables: the slick, the particle and the structural state variables. Transformation processes (evaporation, spreading, dispersion and coastal adhesion) act on the slick state variables, while particles variables are used to model the transport and diffusion processes. The slick and particle variables are recombined together to compute the oil concentration in water, a structural state variable. The mathematical and numerical formulation of oil transport, diffusion and transformation processes described in this paper, together with the many simplifying hypothesis and parameterizations, form the basis of a new, open source Lagrangian surface oil spill model, so-called MEDSLIK-II. Part 2 of this paper describes the applications of MEDSLIK-II to oil spill simulations that allow the validation of the model results and the study of the sensitivity of the simulated oil slick to different model numerical parameterizations.

  1. A Model of an Electrical Discharge in the Flance Contacts With Omega Seals at High Currents in PEP-II

    SciTech Connect

    Novokhatski, A; Seeman, J.; Sullivan, M.; /SLAC

    2008-07-11

    During PEP-II operation with high currents in the High Energy Ring (HER), elevated temperatures were found at many locations in the vacuum chamber where they have an RF seal for the flex flange. Most of these omega RF seals were badly damaged and had evidence of metal vaporization from sparks and electrical discharge. They suggest a physical model, which may explain this effect.

  2. Dynamic regime marginal structural mean models for estimation of optimal dynamic treatment regimes, Part II: proofs of results.

    PubMed

    Orellana, Liliana; Rotnitzky, Andrea; Robins, James M

    2010-03-03

    In this companion article to "Dynamic Regime Marginal Structural Mean Models for Estimation of Optimal Dynamic Treatment Regimes, Part I: Main Content" [Orellana, Rotnitzky and Robins (2010), IJB, Vol. 6, Iss. 2, Art. 7] we present (i) proofs of the claims in that paper, (ii) a proposal for the computation of a confidence set for the optimal index when this lies in a finite set, and (iii) an example to aid the interpretation of the positivity assumption.

  3. Femtomolar Zn(II) affinity in a peptide-based ligand designed to model thiolate-rich metalloprotein active sites.

    PubMed

    Petros, Amy K; Reddi, Amit R; Kennedy, Michelle L; Hyslop, Alison G; Gibney, Brian R

    2006-12-11

    Metal-ligand interactions are critical components of metalloprotein assembly, folding, stability, electrochemistry, and catalytic function. Research over the past 3 decades on the interaction of metals with peptide and protein ligands has progressed from the characterization of amino acid-metal and polypeptide-metal complexes to the design of folded protein scaffolds containing multiple metal cofactors. De novo metalloprotein design has emerged as a valuable tool both for the modular synthesis of these complex metalloproteins and for revealing the fundamental tenets of metalloprotein structure-function relationships. Our research has focused on using the coordination chemistry of de novo designed metalloproteins to probe the interactions of metal cofactors with protein ligands relevant to biological phenomena. Herein, we present a detailed thermodynamic analysis of Fe(II), Co(II), Zn(II), and[4Fe-4S]2(+/+) binding to IGA, a 16 amino acid peptide ligand containing four cysteine residues, H2N-KLCEGG-CIGCGAC-GGW-CONH2. These studies were conducted to delineate the inherent metal-ion preferences of this unfolded tetrathiolate peptide ligand as well as to evaluate the role of the solution pH on metal-peptide complex speciation. The [4Fe-4S]2(+/+)-IGA complex is both an excellent peptide-based synthetic analogue for natural ferredoxins and is flexible enough to accommodate mononuclear metal-ion binding. Incorporation of a single ferrous ion provides the FeII-IGA complex, a spectroscopic model of a reduced rubredoxin active site that possesses limited stability in aqueous buffers. As expected based on the Irving-Williams series and hard-soft acid-base theory, the Co(II) and Zn(II) complexes of IGA are significantly more stable than the Fe(II) complex. Direct proton competition experiments, coupled with determinations of the conditional dissociation constants over a range of pH values, fully define the thermodynamic stabilities and speciation of each MII-IGA complex. The

  4. Complex of manganese (II) with curcumin: Spectroscopic characterization, DFT study, model-based analysis and antiradical activity

    NASA Astrophysics Data System (ADS)

    Gorgannezhad, Lena; Dehghan, Gholamreza; Ebrahimipour, S. Yousef; Naseri, Abdolhossein; Nazhad Dolatabadi, Jafar Ezzati

    2016-04-01

    The complex formation between curcumin (Cur) and Manganese (II) chloride tetrahydrate (MnCl2.4H2O) was studied by UV-Vis and IR spectroscopy. Spectroscopic data suggest that Cur can chelate Manganese cations. A simple multi-wavelength model-based method was used to define stability constant for complexation reaction regardless of the spectra overlapping of components. Also, pure spectra and concentration profiles of all components were extracted using this method. Density functional theory (DFT) was also used to view insight into complexation mechanism. Antioxidant activity of Cur and Cur-Mn(II) complex was evaluated using 1,1-diphenyl-2-picrylhydrazyl (DPPH) scavenging method. Bond dissociation energy (BDE), the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) and Molecular electrostatic potential (MEP) of Cur and the complex also were calculated at PW91/TZ2P level of theory using ADF 2009.01 package. The experimental results show that Cur has a higher DPPH radical scavenging activity than Cur-Mn(II). This observation is theoretically justified by means of lower BDE and higher HOMO and LUMO energy values of Cur ligand as compared with those of Cur-Mn(II) complex.

  5. A new method for screening potential sII and sH hydrogen clathrate hydrate promoters with model potentials.

    PubMed

    Frankcombe, Terry J; Kroes, Geert-Jan

    2011-08-01

    A new predictive computational method for classifying clathrate hydrate promoter molecules is presented, based on the interaction energies between potential promoters and the water networks of sII and sH clathrates. The motivation for this work is identifying promoters for storing hydrogen compactly in clathrate hydrates. As a first step towards achieving this goal, we have developed a general method aimed at distinguishing between molecules that form sII clathrate hydrates and molecules that can-together with a weakly interacting help gas-form sH clathrate hydrates. The new computational method calculates differences in estimated formation energies of the sII and the sH clathrate hydrate. Model interaction potentials have been used, including the electrostatic interactions with newly calculated partial charges for all the considered potential promoter molecules. The methodology can discriminate between the clathrate structure types (sII or sH) formed by each potential promoter with good selectivity, i.e., better than achieved with a simple van der Waals diameter criterion.

  6. Synthesis, characterization, molecular modeling and antioxidant activity of (1E,5E)-1,5-bis(1-(pyridin-2-yl)ethylidene)carbonohydrazide (H2APC) and its zinc(II), cadmium(II) and mercury(II) complexes

    NASA Astrophysics Data System (ADS)

    El-Gammal, O. A.; Abu El-Reash, G. M.; Ghazy, S. E.; Radwan, A. H.

    2012-08-01

    A new series of Zn(II), Cd(II) and Hg(II) complexes of (1E,5E)-1,5-bis(1-(pyridin-2-yl)ethylidene)carbonohydrazide (H2APC) have been prepared and characterized by elemental analyses, spectral (IR, UV-visible, mass and 1H NMR) as well as magnetic and thermal measurements. The data revealed that the ligand acts a monobasic hexadentate, neutral tri- and monodentate in Zn(II), Cd(II) and Hg(II) complexes, respectively. An octahedral geometry is proposed for Zn(II) complex, a trigonal bi-pyramid for Cd(II) complex and a tetrahedral one for Hg(II) complex. The bond length, bond angle, HOMO, LUMO and charges on the atoms have been calculated to confirm the geometry of the ligand and the investigated complexes using material studio program. Kinetic parameters were determined for each thermal degradation stage of some complexes using Coats-Redfern and Horowitz-Metzger methods. The antioxidant, anti-hemolytic, and cytotoxic activities of the compounds have been screened. H2APC showed moderate antioxidant activity using ABTS and DPPH methods. With respect to erythrocyte hemolysis and in vitro Ehrlich ascites assay, H2APC exhibited the potent antioxidative activity followed by Cd(II) and Zn(II) complexes while Hg(II) complex showed very weak activity.

  7. Spatial harmonics and pattern specification in early Drosophila development. Part II. The four colour wheels model.

    PubMed

    Kauffman, S A; Goodwin, B C

    1990-06-01

    We review the evidence presented in Part I showing that transcripts and protein products of maternal, gap, pair-rule, and segment polarity genes exhibit increasingly complex, multipeaked longitudinal waveforms in the early Drosophila embryo. The central problem we address in Part II is the use the embryo makes of these wave forms to specify longitudinal pattern. Based on the fact that mutants of many of these genes generate deletions and mirror symmetrical duplications of pattern elements on length scales ranging from about half the egg to within segments, we propose that position is specified by measuring a "phase angle" by use of the ratios of two or more variables. Pictorially, such a phase angle can be thought of as a colour on a colour wheel. Any such model contains a phaseless singularity where all or many phases, or colours, come together. We suppose as well that positional values sufficiently close to the singularity are meaningless, hence a "dead zone". Duplications and deletions are accounted for by deformation of the cycle of morphogen values occurring along the antero-posterior axis. If the cycle of values surrounds the singularity and lies outside the dead zone, pattern is normal. If the curve transects the dead zone, pattern elements are deleted. If the curve lies entirely on one side of the singularity, pattern elements are deleted and others are duplicated with mirror symmetry. The existence of different wavelength transcript patterns in maternal, gap, pair-rule, and segment polarity genes and the roles of those same genes in generating deletions and mirror symmetrical duplications on a variety of length scales lead us to propose that position is measured simultaneously on at least four colour wheels, which cycle different numbers of times along the anterior-posterior axis. These yield progressively finer grained positional information. Normal pattern specification requires a unique angle, outside of the dead zone, from each of the four wheels

  8. Autoimmunity to Uroplakin II Causes Cystitis in Mice: A Novel Model of Interstitial Cystitis

    PubMed Central

    Altuntas, Cengiz Z.; Daneshgari, Firouz; Sakalar, Cagri; Goksoy, Esen; Gulen, M. Fatih; Kavran, Michael; Qin, Jun; Li, Xiaoxia; Tuohy, Vincent K.

    2011-01-01

    Background The pathophysiology of interstitial cystitis (IC) is unknown. Deficits in urothelial cell layers and autoimmune mechanisms may play a role. Objective To examine whether immunization of mice with recombinant mouse uroplakin II (rmUPK2), a bladder-specific protein, would provoke an autoimmune response sufficient to create an IC phenotype. Design, setting, and participants RmUPK2 complementary DNA was generated, transferred into a bacterial expression vector, and the generated protein was purified. Eight-week-old SWXJ female mice were immunized with rmUPK2 protein via subcutaneous injection of 200 µg of rmUPK2 protein in 200 µl of an emulsion. Measurements Mice were euthanized 5 wk after immunization. Axillary and inguinal lymph node cells were tested for antigen-specific responsiveness and cytokine production, serum isotype antibody titers against rmUPK2 were determined, and gene expression of inflammatory mediators was measured in the bladder and other organs. For functional analysis, mice were placed in urodynamic chambers for 24-h micturition frequency and total voided urine measurements. Results and limitations Immunization with rmUPK2 resulted in T-cell infiltration of the bladder urothelium and increased rmUPK2-specific serum antibody responses in the experimental autoimmune cystitis (EAC) mice models compared with controls. The ratio of bladder to body weight was increased in EAC mice. Quantitative reverse transcriptase polymerase chain reaction analysis showed elevated gene expression of tumor necrosis factor α, interferon γ, interleukin (IL)-17A, and IL-1β in bladder urothelium but not in other organs. Evaluation of 24-h micturition habits of EAC mice showed significantly increased urinary frequency (p < 0.02) and significantly decreased urine output per void (p < 0.021) when compared with control mice. Conclusions Our study showed that a bladder-specific autoimmune response sufficient to induce inflammation and EAC occurs in mice following

  9. Phylogenetic relationships and protein modelling revealed two distinct subfamilies of group II HKT genes between crop and model grasses.

    PubMed

    Ariyarathna, H A Chandima K; Francki, Michael G

    2016-07-01

    Molecular evolution of large protein families in closely related species can provide useful insights on structural functional relationships. Phylogenetic analysis of the grass-specific group II HKT genes identified two distinct subfamilies, I and II. Subfamily II was represented in all species, whereas subfamily I was identified only in the small grain cereals and possibly originated from an ancestral gene duplication post divergence from the coarse grain cereal lineage. The core protein structures were highly analogous despite there being no more than 58% amino acid identity between members of the two subfamilies. Distinctly variable regions in known functional domains, however, indicated functional divergence of the two subfamilies. The subsets of codons residing external to known functional domains predicted signatures of positive Darwinian selection potentially identifying new domains of functional divergence and providing new insights on the structural function and relationships between protein members of the two subfamilies. PMID:27203707

  10. DISPOSITION OF TCDD IN A MOUSE MODEL OF OBESITY AND TYPE II DIABETESE

    EPA Science Inventory

    Recent epidemiology studies have shown an association between type II diabetes and exposure to TCDD (2,3,7,8-tetrachlorodibenzo-p-dioxin). A possible explanation is that diabetics have a slower elimination of TCDD than non-diabetics. The objective of the present study was to ex...

  11. Community Based Model for Training Ex-Offenders in Entrepreneurial Competencies, Phase II. Final Report.

    ERIC Educational Resources Information Center

    Springfield Urban League, Inc., IL.

    An Urban League project in Springfield, Illinois, provided instruction in small business management to persons who had been convicted of a crime. Phase II of the project required designing a self-instructional workbook and tape to be used when classes were not available. A resource guide listing agencies providing assistance to business persons…

  12. FORUM - FutureTox II: In vitro Data and In Silico Models for Predictive Toxicology

    EPA Science Inventory

    FutureTox II, a Society of Toxicology Contemporary Concepts in Toxicology workshop, was held in January, 2014. The meeting goals were to review and discuss the state of the science in toxicology in the context of implementing the NRC 21st century vision of predicting in vivo resp...

  13. Understanding Shock Dynamics in the Inner Heliosphere with Modeling and Type II Radio Data: the 2010-04-03 event

    NASA Astrophysics Data System (ADS)

    Xie, H.; Odstrcil, D.; Mays, M. L.; St Cyr, O. C.; Gopalswamy, N.; Cremades, H.

    2011-12-01

    The 2010 April 03 solar event was studied using observations from STEREO A and B SECCHI, SOHO LASCO, and kilometric type II data combined with the WSA-Cone-ENLIL model. In particular, we identified the origin of the coronal mass ejection (CME) using STEREO EUVI and SOHO EIT images. A flux-rope model fit to the SECCHI A and B, and LASCO images were used to determine the CME's direction, size, and actual speed. J-maps from STEREO COR2/HI-1/HI-2 and simulations from the ENLIL model were used to study the formation and evolution of the shock in the inner heliosphere. In addition, we also studied the time-distance profile of the shock propagation from kilometric type II (kmTII) radio burst observations. Here we report on a comparison of two methods of predicting interplanetary shock arrival time: the ENLIL model and the kmTII method; and investigate whether or not using the ENLIL model density improves the kmTII rediction. We found that the ENLIL model predicted the kinematics of shock evolution well. The shock arrival times (SAT) and linear fit shock velocities in the ENLIL model agreed well with those measurements in the J-maps along both the CME leading edge and the Sun-Earth line. The model also reproduced most of the large scale structures of the shock propagation and gave the SAT prediction at Earth with an error of 1.5 hours. The kmTII method predicted the SAT at Earth with an error of 8 hours when using the ENLIL model plasma density at near Earth; but it improved to 3 hours when using the model density near the CME leading edge at 1 AU.

  14. Phase II Hydrologic Data for the Groundwater Flow and Contaminant Transport Model of Corrective Action Unit 98: Frenchman Flat, Nye County, Nevada, Rev. No.: 0

    SciTech Connect

    John McCord

    2004-12-01

    This report documents pertinent hydrologic data and data analyses as part of the Phase II Corrective Action Investigation (CAI) for Frenchman Flat (FF) Corrective Action Unit (CAU): CAU 98. The purpose of this data compilation and related analyses is to provide the primary reference to support the development of the Phase II FF CAU groundwater flow model.

  15. Phase II Contaminant Transport Parameters for the Groundwater Flow and Contaminant Transport Model of Corrective Action Unit 98: Frenchman Flat, Nye County, Nevada, Rev. No.: 0

    SciTech Connect

    DeNovio, Nicole M.; Bryant, Nathan; King, Chrissi B.; Bhark, Eric; Drellack, Sigmund L.; Pickens, John F.; Farnham, Irene; Brooks, Keely M.; Reimus, Paul; Aly, Alaa

    2005-04-01

    This report documents pertinent transport data and data analyses as part of the Phase II Corrective Action Investigation (CAI) for Frenchman Flat (FF) Corrective Action Unit (CAU) 98. The purpose of this data compilation and related analyses is to provide the primary reference to support parameterization of the Phase II FF CAU transport model.

  16. Person Heterogeneity of the BDI-II-C and Its Effects on Dimensionality and Construct Validity: Using Mixture Item Response Models

    ERIC Educational Resources Information Center

    Wu, Pei-Chen; Huang, Tsai-Wei

    2010-01-01

    This study was to apply the mixed Rasch model to investigate person heterogeneity of Beck Depression Inventory-II-Chinese version (BDI-II-C) and its effects on dimensionality and construct validity. Person heterogeneity was reflected by two latent classes that differ qualitatively. Additionally, person heterogeneity adversely affected the…

  17. TEMPORAL EVOLUTION OF THE SCATTERING POLARIZATION OF THE Ca II IR TRIPLET IN HYDRODYNAMICAL MODELS OF THE SOLAR CHROMOSPHERE

    SciTech Connect

    Carlin, E. S.; Asensio Ramos, A.; Trujillo Bueno, J.

    2013-02-10

    Velocity gradients in a stellar atmospheric plasma have an effect on the anisotropy of the radiation field that illuminates each point within the medium, and this may in principle influence the scattering line polarization that results from the induced atomic level polarization. Here, we analyze the emergent linear polarization profiles of the Ca II infrared triplet after solving the radiative transfer problem of scattering polarization in time-dependent hydrodynamical models of the solar chromosphere, taking into account the effect of the plasma macroscopic velocity on the atomic level polarization. We discuss the influence that the velocity and temperature shocks in the considered chromospheric models have on the temporal evolution of the scattering polarization signals of the Ca II infrared lines as well as on the temporally averaged profiles. Our results indicate that the increase of the linear polarization amplitudes caused by macroscopic velocity gradients may be significant in realistic situations. We also study the effect of the integration time, the microturbulent velocity, and the photospheric dynamical conditions, and discuss the feasibility of observing with large-aperture telescopes the temporal variation of the scattering polarization profiles. Finally, we explore the possibility of using a Hanle effect line-ratio technique in the IR triplet of Ca II to facilitate magnetic field diagnostics in dynamic situations.

  18. Temporal Evolution of the Scattering Polarization of the Ca II IR Triplet in Hydrodynamical Models of the Solar Chromosphere

    NASA Astrophysics Data System (ADS)

    Carlin, E. S.; Asensio Ramos, A.; Trujillo Bueno, J.

    2013-02-01

    Velocity gradients in a stellar atmospheric plasma have an effect on the anisotropy of the radiation field that illuminates each point within the medium, and this may in principle influence the scattering line polarization that results from the induced atomic level polarization. Here, we analyze the emergent linear polarization profiles of the Ca II infrared triplet after solving the radiative transfer problem of scattering polarization in time-dependent hydrodynamical models of the solar chromosphere, taking into account the effect of the plasma macroscopic velocity on the atomic level polarization. We discuss the influence that the velocity and temperature shocks in the considered chromospheric models have on the temporal evolution of the scattering polarization signals of the Ca II infrared lines as well as on the temporally averaged profiles. Our results indicate that the increase of the linear polarization amplitudes caused by macroscopic velocity gradients may be significant in realistic situations. We also study the effect of the integration time, the microturbulent velocity, and the photospheric dynamical conditions, and discuss the feasibility of observing with large-aperture telescopes the temporal variation of the scattering polarization profiles. Finally, we explore the possibility of using a Hanle effect line-ratio technique in the IR triplet of Ca II to facilitate magnetic field diagnostics in dynamic situations.

  19. Empirical calibration of the near-infrared CaII triplet - IV. The stellar population synthesis models

    NASA Astrophysics Data System (ADS)

    Vazdekis, A.; Cenarro, A. J.; Gorgas, J.; Cardiel, N.; Peletier, R. F.

    2003-04-01

    We present a new evolutionary stellar population synthesis model, which predicts spectral energy distributions for single-age single-metallicity stellar populations (SSPs) at resolution 1.5 Å (FWHM) in the spectral region of the near-infrared CaII triplet feature. The main ingredient of the model is a new extensive empirical stellar spectral library that has been recently presented by Cenarro et al., which is composed of more than 600 stars with an unprecedented coverage of the stellar atmospheric parameters. Two main products of interest for stellar population analysis are presented. The first is a spectral library for SSPs with metallicities -1.7 < [Fe/H] < +0.2, a large range of ages (0.1-18 Gyr) and initial mass function (IMF) types. They are well suited to modelling galaxy data, since the SSP spectra, with flux-calibrated response curves, can be smoothed to the resolution of the observational data, taking into account the internal velocity dispersion of the galaxy, allowing the user to analyse the observed spectrum in its own system. We also produce integrated absorption-line indices (namely CaT*, CaT and PaT) for the same SSPs in the form of equivalent widths. We find the following behaviour for the CaII triplet feature in old-aged SSPs: (i) the strength of the CaT* index does not change much with time for all metallicities for ages larger than ~3 Gyr; (ii) this index shows a strong dependence on metallicity for values below [M/H]~-0.5 and (iii) for larger metallicities this feature does not show a significant dependence either on age or on the metallicity, being more sensitive to changes in the slope of power-like IMF shapes. The SSP spectra have been calibrated with measurements for globular clusters by Armandroff & Zinn, which are well reproduced, probing the validity of using the integrated CaII triplet feature for determining the metallicities of these systems. Fitting the models to two early-type galaxies of different luminosities (NGC 4478 and 4365

  20. Modeling the adsorption of mercury(II) on (hydr)oxides. 2: {alpha}-FeOOH (goethite) and amorphous silica

    SciTech Connect

    Bonnissel-Gissinger, P.; Alnot, M.; Ehrhardt, J.J.; Lickes, J.P.; Behra, P.

    1999-07-15

    The surface complexation model is used to describe sorption experiments of inorganic mercury(II) in the presence of an amorphous silica, Aerosil 200, or an iron (hydr)oxide, the goethite {alpha}-FeOOH (Bayferrox 910). In the simulations, one assumes the formation of a monodentate surface complex {triple_bond}S{single_bond}OHgOH and {triple_bond}S{single_bond}OHgCl, when chlorides are present in solution. Participation of the complex {triple_bond}S{single_bond}OHgCl has been especially evidenced. Comparisons with other data from the literature have been made to investigate the influence of the nature of the oxide on the mechanism of mercury(II) adsorption. X-ray photoelectron spectroscopy was used to characterize the surface of the (hydr)oxides prior to adsorption and to observe when possible the mercury surface compounds.

  1. A new 3D finite element model of the IEC 60318-1 artificial ear: II. Experimental and numerical validation

    NASA Astrophysics Data System (ADS)

    Bravo, Agustín; Barham, Richard; Ruiz, Mariano; López, Juan Manuel; De Arcas, Guillermo; Alonso, Jesus

    2012-12-01

    In part I, the feasibility of using three-dimensional (3D) finite elements (FEs) to model the acoustic behaviour of the IEC 60318-1 artificial ear was studied and the numerical approach compared with classical lumped elements modelling. It was shown that by using a more complex acoustic model that took account of thermo-viscous effects, geometric shapes and dimensions, it was possible to develop a realistic model. This model then had clear advantages in comparison with the models based on equivalent circuits using lumped parameters. In fact results from FE modelling produce a better understanding about the physical phenomena produced inside ear simulator couplers, facilitating spatial and temporal visualization of the sound fields produced. The objective of this study (part II) is to extend the investigation by validating the numerical calculations against measurements on an ear simulator conforming to IEC 60318-1. For this purpose, an appropriate commercially available device is taken and a complete 3D FE model developed for it. The numerical model is based on key dimensional data obtained with a non-destructive x-ray inspection technique. Measurements of the acoustic transfer impedance have been carried out on the same device at a national measurement institute using the method embodied in IEC 60318-1. Having accounted for the actual device dimensions, the thermo-viscous effects inside narrow slots and holes and environmental conditions, the results of the numerical modelling were found to be in good agreement with the measured values.

  2. Modeling the water circulation in the North Atlantic in the scope of the CORE-II experiment

    NASA Astrophysics Data System (ADS)

    Ushakov, K. V.; Grankina, T. B.; Ibraev, R. A.

    2016-07-01

    A numerical experiment on the reproduction of the variability in the state of North Atlantic water in 1948-2007 with a spatial resolution of 0.25° has been performed using the global ocean model developed at Institute of Numerical Mathematics, Russian Academy of Sciences (INM RAS), and the Shirshov Institute of Oceanology (IO RAS) (the INM-IO model). The data on the state of the atmosphere, radiation fluxes, and bulk formulas of the CORE-II protocol are used as boundary conditions. Five successive 60-year calculation cycles have been performed in order to obtain the quasi-equilibrium state of a model ocean. For the last 20 years, the main elements of large-scale ocean circulation have been analyzed and compared with the WOA09 atlas data and the results of other models.

  3. CP violation in neutrino mixing with δ = - π / 2 in A4 Type-II seesaw model

    NASA Astrophysics Data System (ADS)

    Li, Guan-Nan; He, Xiao-Gang

    2015-11-01

    We study a class of models for neutrino mass matrix in Type-II seesaw with A4 family symmetry. The resulting neutrino mass matrix can be naturally made to respect a μ- τ exchange plus CP conjugate symmetry (GLS) with the CP violating phase δ and the mixing angle θ23 predicted to be ± π / 2 and π / 4, respectively. When GLS is explicitly broken by complex Yukawa couplings, the model predictions for δ and θ23 can be significantly modified. Should future experiments indeed determine θ23 and δCP away from the GLS limit values, one then had to consider models with broken GLS. We study several simple scenarios to show how the modifications arise w&barbelow;hen GLS is broken and how future experiments can test this class of models.

  4. A structure-based model of energy transfer reveals the principles of light harvesting in photosystem II supercomplexes.

    PubMed

    Bennett, Doran I G; Amarnath, Kapil; Fleming, Graham R

    2013-06-19

    Photosystem II (PSII) initiates photosynthesis in plants through the absorption of light and subsequent conversion of excitation energy to chemical energy via charge separation. The pigment binding proteins associated with PSII assemble in the grana membrane into PSII supercomplexes and surrounding light harvesting complex II trimers. To understand the high efficiency of light harvesting in PSII requires quantitative insight into energy transfer and charge separation in PSII supercomplexes. We have constructed the first structure-based model of energy transfer in PSII supercomplexes. This model shows that the kinetics of light harvesting cannot be simplified to a single rate limiting step. Instead, substantial contributions arise from both excitation diffusion through the antenna pigments and transfer from the antenna to the reaction center (RC), where charge separation occurs. Because of the lack of a rate-limiting step, fitting kinetic models to fluorescence lifetime data cannot be used to derive mechanistic insight on light harvesting in PSII. This model will clarify the interpretation of chlorophyll fluorescence data from PSII supercomplexes, grana membranes, and leaves.

  5. Primordial 4He abundance: a determination based on the largest sample of H II regions with a methodology tested on model H II regions

    NASA Astrophysics Data System (ADS)

    Izotov, Y. I.; Stasińska, G.; Guseva, N. G.

    2013-10-01

    We verified the validity of the empirical method to derive the 4He abundance used in our previous papers by applying it to CLOUDY (v13.01) models. Using newly published He i emissivities for which we present convenient fits as well as the output CLOUDY case B hydrogen and He i line intensities, we found that the empirical method is able to reproduce the input CLOUDY 4He abundance with an accuracy of better than 1%. The CLOUDY output data also allowed us to derive the non-recombination contribution to the intensities of the strongest Balmer hydrogen Hα, Hβ, Hγ, and Hδ emission lines and the ionisation correction factors for He. With these improvements we used our updated empirical method to derive the 4He abundances and to test corrections for several systematic effects in a sample of 1610 spectra of low-metallicity extragalactic H ii regions, the largest sample used so far. From this sample we extracted a subsample of 111 H ii regions with Hβ equivalent width EW(Hβ) ≥ 150 Å, with excitation parameter x = O2+/O ≥ 0.8, and with helium mass fraction Y derived with an accuracy better than 3%. With this subsample we derived the primordial 4He mass fraction Yp = 0.254 ± 0.003 from linear regression Y - O/H. The derived value of Yp is higher at the 68% confidence level (CL) than that predicted by the standard big bang nucleosynthesis (SBBN) model, possibly implying the existence of different types of neutrino species in addition to the three known types of active neutrinos. Using the most recently derived primordial abundances D/H = (2.60 ± 0.12) × 10-5 and Yp = 0.254 ± 0.003 and the χ2 technique, we found that the best agreement between abundances of these light elements is achieved in a cosmological model with baryon mass density Ωbh2 = 0.0234 ± 0.0019 (68% CL) and an effective number of the neutrino species Neff = 3.51 ± 0.35 (68% CL). Based on observations collected at the European Southern Observatory, Chile, programs 073.B-0283(A), 081.C-0113(A

  6. Modeling Lost-Particle Backgrounds in PEP-II Using LPTURTLE

    SciTech Connect

    Fieguth, T.; Barlow, R.; Kozanecki, W.; /DAPNIA, Saclay

    2005-05-17

    Background studies during the design, construction, commissioning, operation and improvement of BaBar and PEP-II have been greatly influenced by results from a program referred to as LPTURTLE (Lost Particle TURTLE) which was originally conceived for the purpose of studying gas background for SLC. This venerable program is still in use today. We describe its use, capabilities and improvements and refer to current results now being applied to BaBar.

  7. Comparison of original EuroSCORE, EuroSCORE II and STS risk models in a Turkish cardiac surgical cohort†

    PubMed Central

    Kunt, Ayse Gul; Kurtcephe, Murat; Hidiroglu, Mete; Cetin, Levent; Kucuker, Aslihan; Bakuy, Vedat; Ruchan Akar, Ahmet; Sener, Erol

    2013-01-01

    OBJECTIVES The aim of this study was to compare additive and logistic European System for Cardiac Operative Risk Evaluation (EuroSCORE), EuroSCORE II and the Society of Thoracic Surgeons (STS) models in calculating mortality risk in a Turkish cardiac surgical population. METHODS The current patient population consisted of 428 patients who underwent isolated coronary artery bypass grafting (CABG) between 2004 and 2012, extracted from the TurkoSCORE database. Observed and predicted mortalities were compared for the additive/logistic EuroSCORE, EuroSCORE II and STS risk calculator. The area under the receiver operating characteristics curve (AUC) values were calculated for these models to compare predictive power. RESULTS The mean patient age was 74.5 ± 3.9 years at the time of surgery, and 35.0% were female. For the entire cohort, actual hospital mortality was 7.9% (n = 34; 95% confidence interval [CI] 5.4–10.5). However, the additive EuroSCORE-predicted mortality was 6.4% (P = 0.23 vs observed; 95% CI 6.2–6.6), logistic EuroSCORE-predicted mortality was 7.9% (P = 0.98 vs observed; 95% CI 7.3–8.6), EuroSCORE II- predicted mortality was 1.7% (P = 0.00 vs observed; 95% CI 1.6–1.8) and STS predicted mortality was 5.8% (P = 0.10 vs observed; 95% CI 5.4–6.2). The mean predictive performance of the analysed models for the entire cohort was fair, with 0.7 (95% CI 0.60–0.79). AUC values for additive EuroSCORE, logistic EuroSCORE, EuroSCORE II and STS risk calculator were 0.70 (95% CI 0.60–0.79), 0.70 (95% CI 0.59–0.80), 0.72 (95% CI 0.62–0.81) and 0.62 (95% CI 0.51–0.73), respectively. CONCLUSIONS EuroSCORE II significantly underestimated mortality risk for Turkish cardiac patients, whereas additive and logistic EuroSCORE and STS risk calculators were well calibrated. PMID:23403767

  8. Spectroscopic characterization and molecular modeling of novel palladium(II) complexes with carbazates and hydrazides

    NASA Astrophysics Data System (ADS)

    Sousa, L. M.; Corbi, P. P.; Formiga, A. L. B.; Lancellotti, Marcelo; Marzano, I. M.; Pereira-Maia, E. C.; Von Poelhsitz, G.; Guerra, W.

    2015-10-01

    Palladium(II) complexes of the type trans-[Pd(L)2Cl2], where L = 4-methoxybenzylcarbazate (4-MC), benzyl carbazate (BC), 4-fluorophenoxyacetic acid hydrazide (4-FH), 3-methoxybenzoic acid hydrazide (3-MH), ethyl carbazate (EC) and tert-butyl carbazate (TC) were synthesized by the slow addition of the ligand to K2PdCl4 previously dissolved in water or ethanol. These complexes were characterized by elemental analyses, conductivity measurements, TG/DTA, FT-IR, mass spectrometric and NMR spectroscopy (solution and solid-state). All coordination compounds exhibit a square planar coordination geometry in which the palladium(II) ion coordinates to two nitrogen atoms and two chlorine atoms. The structures of the palladium(II) complexes were optimized and theoretical data show that the trans isomer is more stable, in accordance with the experimental data. Preliminary in vitro tests of some these new palladium complexes in a chronic myelogenous leukemia cell line (k562 cells) are also reported.

  9. Elucidating the reactivity of Pt(II) complexes with (O,S) bidentate ligands towards DNA model systems.

    PubMed

    Mügge, Carolin; Musumeci, Domenica; Michelucci, Elena; Porru, Francesca; Marzo, Tiziano; Massai, Lara; Messori, Luigi; Weigand, Wolfgang; Montesarchio, Daniela

    2016-07-01

    In the search for novel platinum-based anticancer therapeutic agents, we have recently established a structural motif of (O,S) bidentate ligands bound to a Pt(II) metal center which is effective against various cancer cell lines. Aiming at further enhancing the cytotoxicity of metal-based drugs, the identification of potential biological targets and elucidation of the mode of action of selected lead compounds is of utmost importance. Here we report our studies on the DNA interaction of three representative Pt(II) complexes of the investigated series, using various model systems and analytical techniques. In detail, CD spectroscopy as well as ESI-MS and MS(2) techniques were applied to gain an overall picture of the binding properties of this class of (O,S) bidentate Pt(II) compounds with defined oligonucleotide sequences in single strand, duplex or G-quadruplex form, as well as with the nucleobase 9-methylguanine. On the whole, it was demonstrated that the tested compounds interact with DNA and produce conformational changes of different extents depending on the sequence and structure of the examined oligonucleotide. Guanine was established as the preferential target within the DNA sequence, but in the absence or unavailability of guanines, alternative binding sites can be addressed. The implications of these results are thoroughly discussed. PMID:26921982

  10. Heavy metals in wastewater: Modelling the hydroxide precipitation of copper(II) from wastewater using lime as the precipitant

    SciTech Connect

    Baltpurvins, K.A.; Burns, R.C.; Lawrance, G.A.

    1996-12-31

    The effect of effluent composition (Cl{sup {minus}}, SO{sub 4}{sup 2{minus}} or CO{sub 3}{sup 2{minus}}) on the efficiency of the hydroxide precipitation of Cu(II) modelling lime (CaO) as the precipitant has been predicted using the solubility domain approach and has been experimentally validated. Solubility domains were based on the phases that were found to be solubility-limiting for systems representing potential effluent chemical composition limits. The generated solubility domains generally encompassed the experimentally observed solubilities, thereby providing effluent treatment quality assurance ranges for the hydroxide precipitation process. The presence of gypsum (CaSO{sub 4{center_dot}}2H{sub 2}O) and calcite (CaCO{sub 3}) as secondary precipitates had little effect on the observed residual Cu(II) solubilities, with Cu(II) mobility being governed by the least-soluble kinetically precipitated (rather than thermodynamically favored) phase in the system under study.

  11. Theoretical Modeling of the Magnetic Behavior of Thiacalix[4]arene Tetranuclear Mn(II)2Gd(III)2 and Co(II)2Eu(III)2 Complexes.

    PubMed

    Aldoshin, Sergey M; Sanina, Nataliya A; Palii, Andrew V; Tsukerblat, Boris S

    2016-04-01

    In view of a wide perspective of 3d-4f complexes in single-molecule magnetism, here we propose an explanation of the magnetic behavior of the two thiacalix[4]arene tetranuclear heterometallic complexes Mn(II)2Gd(III)2 and Co(II)2Eu(III)2. The energy pattern of the Mn(II)2Gd(III)2 complex evaluated in the framework of the isotropic exchange model exhibits a rotational band of the low-lying spin excitations within which the Landé intervals are affected by the biquadratic spin-spin interactions. The nonmonotonic temperature dependence of the χT product observed for the Mn(II)2Gd(III)2 complex is attributed to the competitive influence of the ferromagnetic Mn-Gd and antiferromagnetic Mn-Mn exchange interactions, the latter being stronger (J(Mn, Mn) = -1.6 cm(-1), Js(Mn, Gd) = 0.8 cm(-1), g = 1.97). The model for the Co(II)2Eu(III)2 complex includes uniaxial anisotropy of the seven-coordinate Co(II) ions and an isotropic exchange interaction in the Co(II)2 pair, while the Eu(III) ions are diamagnetic in their ground states. Best-fit analysis of χT versus T showed that the anisotropic contribution (arising from a large zero-field splitting in Co(II) ions) dominates (weak-exchange limit) in the Co(II)2Eu(III)2 complex (D = 20.5 cm(-1), J = -0.4 cm(-1), gCo = 2.22). This complex is concluded to exhibit an easy plane of magnetization (arising from the Co(II) pair). It is shown that the low-lying part of the spectrum can be described by a highly anisotropic effective spin-(1)/2 Hamiltonian that is deduced for the Co(II)2 pair in the weak-exchange limit.

  12. Establishment of a vascular endothelial cell-reactive type II NKT cell clone from a rat model of autoimmune vasculitis.

    PubMed

    Iinuma, Chihiro; Waki, Masashi; Kawakami, Ai; Yamaguchi, Madoka; Tomaru, Utano; Sasaki, Naomi; Masuda, Sakiko; Matsui, Yuki; Iwasaki, Sari; Baba, Tomohisa; Kasahara, Masanori; Yoshiki, Takashi; Paletta, Daniel; Herrmann, Thomas; Ishizu, Akihiro

    2015-02-01

    We previously generated a rat model that spontaneously developed small vessel vasculitis (SVV). In this study, a T cell clone reactive with rat vascular endothelial cells (REC) was established and named VASC-1. Intravenous injection of VASC-1 induced SVV in normal recipients. VASC-1 was a TCRαβ/CD3-positive CD4/CD8 double-negative T cell clone with expression of NKG2D. The cytokine mRNA profile under unstimulated condition was positive for IL-4 and IFN-γ but negative for IL-2 and IL-10. After interaction with REC, the mRNA expression of IL-2, IL-5 and IL-6 was induced in VASC-1, which was inhibited by blocking of CD1d on the REC surface. Although the protein levels of these cytokines seemed to be lower than the detection limit in the culture medium, IFN-γ was detectable. The production of IFN-γ from the VASC-1 stimulated with LPS-pre-treated REC was inhibited by the CD1d blockade on the REC. These findings indicated VASC-1 as an NKT cell clone. The NKT cell pool includes two major subsets, namely types I and II. Type I NKT cells are characterized by expression of semi-invariant TCRs and the potential to bind to marine sponge-derived α-galactosylceramide (α-GalCer) loaded on CD1d; whereas, type II NKT cells do not manifest these characteristics. VASC-1 exhibited a usage of TCR other than the type I invariant TCR α chain and did not bind to α-GalCer-loaded CD1d; therefore, it was determined as a type II NKT cell clone. The collective evidence suggested that REC-reactive type II NKT cells could be involved in the pathogenesis of SVV in rats.

  13. MEDSLIK-II, a Lagrangian marine surface oil spill model for short-term forecasting - Part 1: Theory

    NASA Astrophysics Data System (ADS)

    De Dominicis, M.; Pinardi, N.; Zodiatis, G.; Lardner, R.

    2013-11-01

    The processes of transport, diffusion and transformation of surface oil in seawater can be simulated using a Lagrangian model formalism coupled with Eulerian circulation models. This paper describes the formalism and the conceptual assumptions of a Lagrangian marine surface oil slick numerical model and rewrites the constitutive equations in a modern mathematical framework. The Lagrangian numerical representation of the oil slick requires three different state variables: the slick, the particle and the structural state variables. Transformation processes (evaporation, spreading, dispersion and coastal adhesion) act on the slick state variables, while particle variables are used to model the transport and diffusion processes. The slick and particle variables are recombined together to compute the oil concentration in water, a structural state variable. The mathematical and numerical formulation of oil transport, diffusion and transformation processes described in this paper, together with the many simplifying hypothesis and parameterizations, form the basis of a new, open source Lagrangian surface oil spill model, the so-called MEDSLIK-II, based on its precursor MEDSLIK (Lardner et al., 1998, 2006; Zodiatis et al., 2008a). Part 2 of this paper describes the applications of the model to oil spill simulations that allow the validation of the model results and the study of the sensitivity of the simulated oil slick to different model numerical parameterizations.

  14. Constraining the reservoir model of an injected CO2 plume with crosswell CASSM at the Frio-II brine plot

    SciTech Connect

    Daley, T.M.; Ajo-Franklin, J.; Doughty, C.A.

    2011-02-15

    Crosswell CASSM (continuous active-source seismic monitoring) data was acquired as part of the Frio-II brine pilot CO{sub 2} injection experiment. To gain insight into the CO{sub 2} plume evolution, we have integrated the 3D multiphase flow modeling code TOUGH2 with seismic simulation codes via a petrophysical model that predicts seismic velocity for a given CO{sub 2} saturation. Results of forward seismic modeling based on the CO{sub 2} saturation distribution produced by an initial TOUGH2 model compare poorly with the CASSM data, indicating that the initial flow model did not capture the actual CO{sub 2} plume dynamics. Updates to the TOUGH2 model required to better match the CASSM field data indicate vertical flow near the injection well, with increased horizontal plume growth occurring at the top of the reservoir sand. The CASSM continuous delay time data are ideal for constraining the modeled spatiotemporal evolution of the CO{sub 2} plume and allow improvement in reservoir model and estimation of CO{sub 2} plume properties.

  15. Theoretical model of Case-II diffusion based on molecular-dynamics study of methanol in PMMA

    NASA Astrophysics Data System (ADS)

    Miao, Jiayuan; Tsige, Mesfin; Taylor, Philip

    In Case-II diffusion, a sharp diffusion front moves at a nearly constant speed. An obstacle to the theoretical prediction of the form of this front lies in the large mismatch between the time scale of atomic motion, which is measured in femtoseconds, and the time scale of diffusion in a macroscopic sample, which is measured in millions of seconds. We attempt to overcome this limitation by using the short-time results of atomistic molecular-dynamics simulations to construct a stochastic model valid over all time scales. The ability of this model to yield Case-II diffusion behavior was confirmed, and it was then developed into a continuum mathematical model in which the diffusivity D has a strong dependence on the concentration of the penetrant. We anticipate that solution of the appropriate non-linear diffusion equation will yield an accurate portrayal of the characteristics of the diffusion process. Work supported by the Petroleum Research Fund of the American Chemical Society.

  16. Modelling Energy Loss Mechanisms and a Determination of the Electron Energy Scale for the CDF Run II W Mass Measurement

    SciTech Connect

    Riddick, Thomas

    2012-06-15

    The calibration of the calorimeter energy scale is vital to measuring the mass of the W boson at CDF Run II. For the second measurement of the W boson mass at CDF Run II, two independent simulations were developed. This thesis presents a detailed description of the modification and validation of Bremsstrahlung and pair production modelling in one of these simulations, UCL Fast Simulation, comparing to both geant4 and real data where appropriate. The total systematic uncertainty on the measurement of the W boson mass in the W → eve channel from residual inaccuracies in Bremsstrahlung modelling is estimated as 6.2 ±3.2 MeV/c2 and the total systematic uncertainty from residual inaccuracies in pair production modelling is estimated as 2.8± 2.7 MeV=c2. Two independent methods are used to calibrate the calorimeter energy scale in UCL Fast Simulation; the results of these two methods are compared to produce a measurement of the Z boson mass as a cross-check on the accuracy of the simulation.

  17. First Infilling of the Venda Nova II Unlined High-Pressure Tunnel: Observed Behaviour and Numerical Modelling

    NASA Astrophysics Data System (ADS)

    Lamas, Luís N.; Leitão, Noemí S.; Esteves, Carlos; Plasencia, Nadir

    2014-05-01

    The underground structures of the Venda Nova II reversible hydroelectric power scheme present features that make it an interesting case study. Worthy of mention are the inclination and length of the unlined pressure tunnel, the high water head and the great depth of the powerhouse cavern. In projects of this type, the main effect of the internal water pressure in the pressure tunnel is the establishment of seepage from the tunnel into the rock mass, which can reach the adits and the powerhouse cavern. This seepage is influenced by several factors, such as the geometry of the underground openings, the rock mass properties—namely, the joints characteristics—and the stress state resulting from the excavation and from the internal water pressure. This article presents the main features of the underground structures of the Venda Nova II scheme and a detailed description of the observed behaviour during the first infilling of the pressure tunnel. A three-dimensional multi-laminated numerical model of the rock mass hydromechanical behaviour was developed to help understand the observed behaviour. The model assumptions in regard to the geometry of the openings, the jointing pattern, the rock mass hydraulic and mechanical behaviour, as well as the hydromechanical interaction, are described. Results obtained with the numerical model are presented and compared with the observed behaviour. Finally, the validity and importance of the numerical tools for the interpretation of the rock mass hydromechanical behaviour is discussed.

  18. Evaluation of regional climate simulations over the CORDEX-EA-II domain using the COSMO-CLM model

    NASA Astrophysics Data System (ADS)

    Zhou, Weidan; Tang, Jianping; Wang, Xueyuan; Wang, Shuyu; Niu, Xiaorui; Wang, Yuan

    2016-05-01

    The COSMO-CLM (CCLM) model is applied to perform regional climate simulation over the second phase of CORDEX-East Asia (CORDEX-EA-II) domain in this study. Driven by the ERAInterim reanalysis data, the model was integrated from 1988 to 2010 with a high resolution of 0.22°. The model's ability to reproduce mean climatology and climatic extremes is evaluated based on various aspects. The CCLM model is capable of capturing the basic features of the East Asia climate, including the seasonal mean patterns, interannual variations, annual cycles and climate extreme indices for both surface air temperature and precipitation. Some biases are evident in certain areas and seasons. Warm and wet biases appear in the arid and semi-arid areas over the northwestern and northern parts of the domain. The simulated climate over the Tibetan Plateau is colder and wetter than the observations, while South China, East China, and India are drier. The model biases may be caused by the simulated anticyclonic and cyclonic biases in low-level circulations, the simulated water vapor content biases, and the inadequate physical parameterizations in the CCLM model. A parallel 0.44° simulation is conducted and the comparison results show some added value introduced by the higher resolution 0.22° simulation. As a result, the CCLM model could be an adequate member for the next stage of the CORDEX-EA project, while further studies should be encouraged.

  19. Two-Higgs-doublet type-II and -III models and t→ c h at the LHC

    NASA Astrophysics Data System (ADS)

    Arhrib, A.; Benbrik, R.; Chen, Chuan-Hung; Gomez-Bock, Melina; Semlali, Souad

    2016-06-01

    We study the constraints of the generic two-Higgs-doublet model (2HDM) type-III and the impacts of the new Yukawa couplings. For comparisons, we revisit the analysis in the 2HDM type-II. To understand the influence of all involving free parameters and to realize their correlations, we employ a χ -square fitting approach by including theoretical and experimental constraints, such as the S, T, and U oblique parameters, the production of standard model Higgs and its decay to γ γ , WW^*/ZZ^*, τ ^+τ ^-, etc. The errors of the analysis are taken at 68, 95.5, and 99.7 % confidence levels. Due to the new Yukawa couplings being associated with \\cos (β -α ) and sin (β -α ), we find that the allowed regions for sin α and tan β in the type-III model can be broader when the dictated parameter χ _F is positive; however, for negative χ _F, the limits are stricter than those in the type-II model. By using the constrained parameters, we find that the deviation from the SM in h→ Zγ can be of mathcal{O}(10 %). Additionally, we also study the top-quark flavor-changing processes induced at the tree level in the type-III model and find that when all current experimental data are considered, we get Br(t→ c(h, H) )< 10^{-3} for m_h=125.36 and m_H=150 GeV, and Br(t→ cA) slightly exceeds 10^{-3} for m_A =130 GeV.

  20. [A computer model of "sense of humor". II. Realization in neuronal nets].

    PubMed

    Suslov, I M

    1992-01-01

    The Hopfield model of neural networks can be adapted for solving the "linguistic problems", i.e. the processing of a continuous succession of polysemantic images. The realization of "a sense of humor" in such a model is possible.

  1. SCIENTIFIC UNCERTAINTIES IN ATMOSPHERIC MERCURY MODELS II: SENSITIVITY ANALYSIS IN THE CONUS DOMAIN

    EPA Science Inventory

    In this study, we present the response of model results to different scientific treatments in an effort to quantify the uncertainties caused by the incomplete understanding of mercury science and by model assumptions in atmospheric mercury models. Two sets of sensitivity simulati...

  2. METHANOGENESIS AND SULFATE REDUCTION IN CHEMOSTATS: II. MODEL DEVELOPMENT AND VERIFICATION

    EPA Science Inventory

    A comprehensive dynamic model is presented that simulates methanogenesis and sulfate reduction in a continuously stirred tank reactor (CSTR). This model incorporates the complex chemistry of anaerobic systems. A salient feature of the model is its ability to predict the effluent ...

  3. Model for oxygen recombination on silicon-dioxide surfaces. II - Implications toward reentry heating

    NASA Technical Reports Server (NTRS)

    Jumper, E. J.; Seward, W. A.

    1992-01-01

    This paper briefly reviews the model for recombination of oxygen on a silicon-dioxide surface presented in detail in a previous paper. New data supporting the model is also presented. The ramifications of the model toward the production of excited molecular oxygen is examined as it pertains to surface heating. A reentry simulation is given and compared to STS-2 reentry data, and conclusions are drawn as to the implications of the recombination model toward reentry heating. A possible buffering of the heating above a critical temperature associated with the physics of the model is also discussed.

  4. Prediction of the copper (II) ions dynamic removal from a medium by using mathematical models with analytical solution.

    PubMed

    Borba, Carlos Eduardo; da Silva, Edson Antônio; Fagundes-Klen, Márcia R; Kroumov, Alexander D; Guirardello, Reginaldo

    2008-03-21

    A copper (II) ions biosorption by Sargassum sp. biomass was studied in a fixed bed column at 30 degrees C and pH 3.5. The experimental curves were obtained for the following feed concentrations -2.08, 4.16, 6.42 and 12.72mmol/L of the copper ions. The mathematical models developed by Thomas and Bohart-Adams were used for description of ions sorption process in the column. The models principle hypothesis is that the mass transfer controlling stage of the process is the adsorption kinetics between sorbate and adsorbent. The phenomena such as intraparticle diffusion, a mass transfer external resistance and axial dispersion effects were out of considerations. Some of the models parameters were experimentally determined (rho(B), epsilon, u(0), C(0)) and the others were evaluated on the bases of the experimental data (k(a1), k(a2)). The unique fitting parameter in all models was the adsorption kinetic constant. The identification procedure was based on the least square statistical method. Simulation results show that the models describe well a copper ions sorption process in a fixed bed column. The used models can be considered as useful tools for adsorption process design and optimization in fixed bed column by using algae biomass of Sargassum sp. as an adsorbent.

  5. Elastic and Piezoelectric Properties of Boron Nitride Nanotube Composites. Part II; Finite Element Model

    NASA Technical Reports Server (NTRS)

    Kim, H. Alicia; Hardie, Robert; Yamakov, Vesselin; Park, Cheol

    2015-01-01

    This paper is the second part of a two-part series where the first part presents a molecular dynamics model of a single Boron Nitride Nanotube (BNNT) and this paper scales up to multiple BNNTs in a polymer matrix. This paper presents finite element (FE) models to investigate the effective elastic and piezoelectric properties of (BNNT) nanocomposites. The nanocomposites studied in this paper are thin films of polymer matrix with aligned co-planar BNNTs. The FE modelling approach provides a computationally efficient way to gain an understanding of the material properties. We examine several FE models to identify the most suitable models and investigate the effective properties with respect to the BNNT volume fraction and the number of nanotube walls. The FE models are constructed to represent aligned and randomly distributed BNNTs in a matrix of resin using 2D and 3D hollow and 3D filled cylinders. The homogenisation approach is employed to determine the overall elastic and piezoelectric constants for a range of volume fractions. These models are compared with an analytical model based on Mori-Tanaka formulation suitable for finite length cylindrical inclusions. The model applies to primarily single-wall BNNTs but is also extended to multi-wall BNNTs, for which preliminary results will be presented. Results from the Part 1 of this series can help to establish a constitutive relationship for input into the finite element model to enable the modeling of multiple BNNTs in a polymer matrix.

  6. Phase II Testing of Liquid Cooling Garments Using a Sweating Manikin, Controlled by a Human Physiological Model

    NASA Technical Reports Server (NTRS)

    Paul, Heather; Trevino, Luis; Bue,Grant; Rugh, John

    2006-01-01

    An Advanced Automotive Manikin (ADAM) developed at the National Renewable Energy Laboratory (NREL) is used to evaluate NASA's liquid cooling garments (LCGs) used in advanced space suits for extravehicular applications. The manikin has 120 separate heated/sweating zones and is controlled by a finite element physiological model of the human thermoregulatory system. Previous testing showed the thermal sensation and comfort followed the expected trends as the LCG inlet fluid temperature was changed. The Phase II test data demonstrates the repeatability of ADAM by retesting the baseline LCG. Skin and core temperature predictions using ADAM in an LCG/Arctic suit combination are compared to NASA physiological data to validate the manikin/model. Additional LCG configurations are assessed using the manikin and compared to the baseline LCG. Results can extend to other personal protective clothing, including HAZMAT suits, nuclear/biological/chemical protective suits, and fire protection suits.

  7. Bianisotropic-critical-state model to study flux cutting in type-II superconductors at parallel geometry

    NASA Astrophysics Data System (ADS)

    Romero-Salazar, C.

    2016-04-01

    A critical-state model is postulated that incorporates, for the first time, the structural anisotropy and flux-line cutting effect in a type-II superconductor. The model is constructed starting from the theoretical scheme of Romero-Salazar and Pérez-Rodríguez to study the anisotropy induced by flux cutting. Here, numerical calculations of the magnetic induction and static magnetization are presented for samples under an alternating magnetic field, orthogonal to a static dc-bias one. The interplay of the two anisotropies is analysed by comparing the numerical results with available experimental data for an yttrium barium copper oxide (YBCO) plate, and a vanadium-titanium (VTi) strip, subjected to a slowly oscillating field {H}y({H}z) in the presence of a static field {H}z({H}y).

  8. Validating the Serpent Model of FiR 1 Triga Mk-II Reactor by Means of Reactor Dosimetry

    NASA Astrophysics Data System (ADS)

    Viitanen, Tuomas; Leppänen, Jaakko

    2016-02-01

    A model of the FiR 1 Triga Mk-II reactor has been previously generated for the Serpent Monte Carlo reactor physics and burnup calculation code. In the current article, this model is validated by comparing the predicted reaction rates of nickel and manganese at 9 different positions in the reactor to measurements. In addition, track-length estimators are implemented in Serpent 2.1.18 to increase its performance in dosimetry calculations. The usage of the track-length estimators is found to decrease the reaction rate calculation times by a factor of 7-8 compared to the standard estimator type in Serpent, the collision estimators. The differences in the reaction rates between the calculation and the measurement are below 20%.

  9. Dynamical behavior of a rumor transmission model with Holling-type II functional response in emergency event

    NASA Astrophysics Data System (ADS)

    Huo, Liang'an; Jiang, Jiehui; Gong, Sixing; He, Bing

    2016-05-01

    Rumor transmission has become an important issue in emergency event. In this paper, a rumor transmission model with Holling-type II functional response was proposed, which provides excellent explanations of the scientific knowledge effect with rumor spreading. By a global analysis of the model and studying the stability of the rumor-free equilibrium and the rumor-endemic equilibrium, we found that the number of infective individuals equal to zero or positive integer as time went on. A numerical simulation is carried out to illustrate the feasibility of our main results. The results will provide the theoretical support to rumor control in emergency event and also provide decision makers references for the public opinions management.

  10. Analysis of a predator-prey model with Holling II functional response concerning impulsive control strategy

    NASA Astrophysics Data System (ADS)

    Liu, Bing; Teng, Zhidong; Chen, Lansun

    2006-08-01

    According to biological and chemical control strategy for pest control, we investigate the dynamic behavior of a Holling II functional response predator-prey system concerning impulsive control strategy-periodic releasing natural enemies and spraying pesticide at different fixed times. By using Floquet theorem and small amplitude perturbation method, we prove that there exists a stable pest-eradication periodic solution when the impulsive period is less than some critical value. Further, the condition for the permanence of the system is also given. Numerical results show that the system we consider can take on various kinds of periodic fluctuations and several types of attractor coexistence and is dominated by periodic, quasiperiodic and chaotic solutions, which implies that the presence of pulses makes the dynamic behavior more complex. Finally, we conclude that our impulsive control strategy is more effective than the classical one if we take chemical control efficiently.

  11. Modeling of Iron K Lines: Radiative and Auger Decay Data for Fe II-Fe IX

    NASA Technical Reports Server (NTRS)

    Palmeri, P.; Mendoza, C.; Kallman, T. R.; Bautista, M. A.; Melendez, M.

    2003-01-01

    A detailed analysis of the radiative and Auger de-excitation channels of K-shell vacancy states in Fe II-Fe IX has been carried out. Level energies, wavelengths, A-values, Auger rates and fluorescence yields have been calculated for the lowest fine-structure levels populated by photoionization of the ground state of the parent ion. Different branching ratios, namely K alpha 2/K alpha 1, K beta/K alpha, KLM/KLL, KMM/KLL, and the total K-shell fluorescence yields, omega(sub k), obtained in the present work have been compared with other theoretical data and solid-state measurements, finding good general agreement with the latter. The Kalpha 2/K alpha l ratio is found to be sensitive to the excitation mechanism. From these comparisons it has been possible to estimate an accuracy of approx.10% for the present transition probabilities.

  12. Microscopic Modeling of Intersubband Optical Processes in Type II Semiconductor Quantum Wells: Linear Absorption

    NASA Technical Reports Server (NTRS)

    Li, Jian-Zhong; Kolokolov, Kanstantin I.; Ning, Cun-Zheng

    2003-01-01

    Linear absorption spectra arising from intersubband transitions in semiconductor quantum well heterostructures are analyzed using quantum kinetic theory by treating correlations to the first order within Hartree-Fock approximation. The resulting intersubband semiconductor Bloch equations take into account extrinsic dephasing contributions, carrier-longitudinal optical phonon interaction and carrier-interface roughness interaction which is considered with Ando s theory. As input for resonance lineshape calculation, a spurious-states-free 8-band kp Hamiltonian is used, in conjunction with the envelop function approximation, to compute self-consistently the energy subband structure of electrons in type II InAs/AlSb single quantum well structures. We demonstrate the interplay of nonparabolicity and many-body effects in the mid-infrared frequency range for such heterostructures.

  13. Use of ELVIS II platform for random process modelling and analysis of its probability density function

    NASA Astrophysics Data System (ADS)

    Maslennikova, Yu. S.; Nugmanov, I. S.

    2016-08-01

    The problem of probability density function estimation for a random process is one of the most common in practice. There are several methods to solve this problem. Presented laboratory work uses methods of the mathematical statistics to detect patterns in the realization of random process. On the basis of ergodic theory, we construct algorithm for estimating univariate probability density distribution function for a random process. Correlational analysis of realizations is applied to estimate the necessary size of the sample and the time of observation. Hypothesis testing for two probability distributions (normal and Cauchy) is used on the experimental data, using χ2 criterion. To facilitate understanding and clarity of the problem solved, we use ELVIS II platform and LabVIEW software package that allows us to make the necessary calculations, display results of the experiment and, most importantly, to control the experiment. At the same time students are introduced to a LabVIEW software package and its capabilities.

  14. A dynamic model for PC4 coactivator function in RNA polymerase II transcription

    PubMed Central

    Malik, Sohail; Guermah, Mohamed; Roeder, Robert G.

    1998-01-01

    Human positive cofactor (PC4) acts as a general coactivator for activator-dependent transcription by RNA polymerase II. Here we show that PC4 coactivator function, in contrast to basal (activator-independent) transcription, is dependent both on TATA binding protein (TBP)-associated factors (TAFs) in TFIID and on TFIIH. Surprisingly, PC4 strongly represses transcription initiation by minimal preinitiation complexes in the absence of TAFs and TFIIH, while simultaneously promoting the formation of these complexes. Furthermore, TFIIH and TAFII250, the largest subunit of TFIID, can both phosphorylate PC4. These results provide evidence for an inactive, PC4-induced intermediate in preinitiation complex assembly and point to TFIIH and TAF requirements for its progression into a functional preinitiation complex. Thus PC4 coactivator activity is realized in a stepwise series of events reminiscent of prokaryotic activation pathways involving conversion of inactive RNA polymerase-promoter complexes to an initiation-competent state. PMID:9482861

  15. Signal classification using global dynamical models, Part II: SONAR data analysis

    SciTech Connect

    Kremliovsky, M.; Kadtke, J.

    1996-06-01

    In Part I of this paper, we described a numerical method for nonlinear signal detection and classification which made use of techniques borrowed from dynamical systems theory. Here in Part II of the paper, we will describe an example of data analysis using this method, for data consisting of open ocean acoustic (SONAR) recordings of marine mammal transients, supplied from NUWC sources. The purpose here is two-fold: first to give a more operational description of the technique and provide rules-of-thumb for parameter choices; and second to discuss some new issues raised by the analysis of non-ideal (real-world) data sets. The particular data set considered here is quite non-stationary, relatively noisy, is not clearly localized in the background, and as such provides a difficult challenge for most detection/classification schemes. {copyright} {ital 1996 American Institute of Physics.}

  16. A theory of drug tolerance and dependence II: the mathematical model.

    PubMed

    Peper, Abraham

    2004-08-21

    The preceding paper presented a model of drug tolerance and dependence. The model assumes the development of tolerance to a repeatedly administered drug to be the result of a regulated adaptive process. The oral detection and analysis of exogenous substances is proposed to be the primary stimulus for the mechanism of drug tolerance. Anticipation and environmental cues are in the model considered secondary stimuli, becoming primary in dependence and addiction or when the drug administration bypasses the natural-oral-route, as is the case when drugs are administered intravenously. The model considers adaptation to the effect of a drug and adaptation to the interval between drug taking autonomous tolerance processes. Simulations with the mathematical model demonstrate the model's behaviour to be consistent with important characteristics of the development of tolerance to repeatedly administered drugs: the gradual decrease in drug effect when tolerance develops, the high sensitivity to small changes in drug dose, the rebound phenomenon and the large reactions following withdrawal in dependence. The present paper discusses the mathematical model in terms of its design. The model is a nonlinear, learning feedback system, fully satisfying control theoretical principles. It accepts any form of the stimulus-the drug intake-and describes how the physiological processes involved affect the distribution of the drug through the body and the stability of the regulation loop. The mathematical model verifies the proposed theory and provides a basis for the implementation of mathematical models of specific physiological processes. PMID:15246786

  17. A theory of drug tolerance and dependence II: the mathematical model.

    PubMed

    Peper, Abraham

    2004-08-21

    The preceding paper presented a model of drug tolerance and dependence. The model assumes the development of tolerance to a repeatedly administered drug to be the result of a regulated adaptive process. The oral detection and analysis of exogenous substances is proposed to be the primary stimulus for the mechanism of drug tolerance. Anticipation and environmental cues are in the model considered secondary stimuli, becoming primary in dependence and addiction or when the drug administration bypasses the natural-oral-route, as is the case when drugs are administered intravenously. The model considers adaptation to the effect of a drug and adaptation to the interval between drug taking autonomous tolerance processes. Simulations with the mathematical model demonstrate the model's behaviour to be consistent with important characteristics of the development of tolerance to repeatedly administered drugs: the gradual decrease in drug effect when tolerance develops, the high sensitivity to small changes in drug dose, the rebound phenomenon and the large reactions following withdrawal in dependence. The present paper discusses the mathematical model in terms of its design. The model is a nonlinear, learning feedback system, fully satisfying control theoretical principles. It accepts any form of the stimulus-the drug intake-and describes how the physiological processes involved affect the distribution of the drug through the body and the stability of the regulation loop. The mathematical model verifies the proposed theory and provides a basis for the implementation of mathematical models of specific physiological processes.

  18. AERMOD: A DISPERSION MODEL FOR INDUSTRIAL SOURCE APPLICATIONS PART II: MODEL PERFORMANCE AGAINST 17 FIELD STUDY DATABASES

    EPA Science Inventory

    The formulations of the AMS/EPA Regulatory Model Improvement Committee's applied air dispersion model (AERMOD) are described. This is the second in a series of three articles. Part I describes the model's methods for characterizing the atmospheric boundary layer and complex ter...

  19. Understanding Shock Dynamics in the Inner Heliosphere with Modeling and Type II Radio Data: the 2010-04-03 Event

    NASA Technical Reports Server (NTRS)

    Xie, Hong Na; Odstrcil, Dusan; Mays, L.; Cyr, O. C. St.; Gopalswamy, N.; Cremades, H.

    2012-01-01

    The 2010 April 03 solar event was studied using observations from STEREO SECCHI, SOHO LASCO, and Wind kilometric Type II data (kmTII) combined with WSA-Cone-ENLIL model simulations performed at the Community Coordinated Modeling Center (CCMC). In particular, we identified the origin of the coronal mass ejection (CME) using STEREO EUVI and SOHO EIT images. A flux-rope model was fit to the SECCHI A and B, and LASCO images to determine the CMEs direction, size, and actual speed. J-maps from STEREO COR2HI-1HI-2 and simulations fromCCMC were used to study the formation and evolution of the shock in the inner heliosphere. In addition, we also studied the time-distance profile of the shock propagation from kmTII radio burst observations. The J-maps together with in-situ datafrom the Wind spacecraft provided an opportunity to validate the simulation results andthe kmTII prediction. Here we report on a comparison of two methods of predictinginterplanetary shock arrival time: the ENLIL model and the kmTII method; andinvestigate whether or not using the ENLIL model density improves the kmTIIprediction. We found that the ENLIL model predicted the kinematics of shock evolutionwell. The shock arrival times (SAT) and linear-fit shock velocities in the ENLILmodel agreed well with those measurements in the J-maps along both the CME leading edge and the Sun-Earth line. The ENLIL model also reproduced most of the largescale structures of the shock propagation and gave the SAT prediction at Earth with an error of 17 hours. The kmTII method predicted the SAT at Earth with an error of 15 hours when using n0 4.16 cm3, the ENLIL model plasma density near Earth; but itimproved to 2 hours when using n0 6.64 cm3, the model density near the CMEleading edge at 1 AU.

  20. Modeling of the HiPco process for carbon nanotube production. II. Reactor-scale analysis

    NASA Technical Reports Server (NTRS)

    Gokcen, Tahir; Dateo, Christopher E.; Meyyappan, M.

    2002-01-01

    The high-pressure carbon monoxide (HiPco) process, developed at Rice University, has been reported to produce single-walled carbon nanotubes from gas-phase reactions of iron carbonyl in carbon monoxide at high pressures (10-100 atm). Computational modeling is used here to develop an understanding of the HiPco process. A detailed kinetic model of the HiPco process that includes of the precursor, decomposition metal cluster formation and growth, and carbon nanotube growth was developed in the previous article (Part I). Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. The diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by the Boudouard reaction with metal catalysts. Based on the detailed model simulations, a reduced kinetic model was also developed in Part I for use in reactor-scale flowfield calculations. Here this reduced kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance. Carbon nanotube growth is examined with respect to several process variables (peripheral jet temperature, reactor pressure, and Fe(CO)5 concentration) with the use of the axisymmetric model, and the computed results are compared with existing experimental data. The model yields most of the qualitative trends observed in the experiments and helps to understanding the fundamental processes in HiPco carbon nanotube production.

  1. Improving the modelling of redshift-space distortions - II. A pairwise velocity model covering large and small scales

    NASA Astrophysics Data System (ADS)

    Bianchi, Davide; Percival, Will J.; Bel, Julien

    2016-09-01

    We develop a model for the redshift-space correlation function, valid for both dark matter particles and halos on scales >5 h-1Mpc. In its simplest formulation, the model requires the knowledge of the first three moments of the line-of-sight pairwise velocity distribution plus two well-defined dimensionless parameters. The model is obtained by extending the Gaussian-Gaussianity prescription for the velocity distribution, developed in a previous paper, to a more general concept allowing for local skewness, which is required to match simulations. We compare the model with the well known Gaussian streaming model and the more recent Edgeworth streaming model. Using N-body simulations as a reference, we show that our model gives a precise description of the redshift-space clustering over a wider range of scales. We do not discuss the theoretical prescription for the evaluation of the velocity moments, leaving this topic to further investigation.

  2. On the quasi-steady aerodynamics of normal hovering flight part II: model implementation and evaluation.

    PubMed

    Nabawy, Mostafa R A; Crowther, William J

    2014-05-01

    This paper introduces a generic, transparent and compact model for the evaluation of the aerodynamic performance of insect-like flapping wings in hovering flight. The model is generic in that it can be applied to wings of arbitrary morphology and kinematics without the use of experimental data, is transparent in that the aerodynamic components of the model are linked directly to morphology and kinematics via physical relationships and is compact in the sense that it can be efficiently evaluated for use within a design optimization environment. An important aspect of the model is the method by which translational force coefficients for the aerodynamic model are obtained from first principles; however important insights are also provided for the morphological and kinematic treatments that improve the clarity and efficiency of the overall model. A thorough analysis of the leading-edge suction analogy model is provided and comparison of the aerodynamic model with results from application of the leading-edge suction analogy shows good agreement. The full model is evaluated against experimental data for revolving wings and good agreement is obtained for lift and drag up to 90° incidence. Comparison of the model output with data from computational fluid dynamics studies on a range of different insect species also shows good agreement with predicted weight support ratio and specific power. The validated model is used to evaluate the relative impact of different contributors to the induced power factor for the hoverfly and fruitfly. It is shown that the assumption of an ideal induced power factor (k = 1) for a normal hovering hoverfly leads to a 23% overestimation of the generated force owing to flapping. PMID:24554578

  3. Probing cosmology with weak lensing selected clusters. II. Dark energy and f(R) gravity models

    NASA Astrophysics Data System (ADS)

    Shirasaki, Masato; Hamana, Takashi; Yoshida, Naoki

    2016-02-01

    Ongoing and future wide-field galaxy surveys can be used to locate a number of clusters of galaxies with cosmic shear measurement alone. We study constraints on cosmological models using statistics of weak lensing selected galaxy clusters. We extend our previous theoretical framework to model the statistical properties of clusters in variants of cosmological models as well as in the standard ΛCDM model. Weak lensing selection of clusters does not rely on conventional assumptions such as the relation between luminosity and mass and/or hydrostatic equilibrium, but a number of observational effects compromise robust identification. We use a large set of realistic mock weak lensing catalogs as well as analytic models to perform a Fisher analysis and make a forecast for constraining two competing cosmological models, the wCDM model and f(R) model proposed by Hu and Sawicki (2007, Phys. Rev. D, 76, 064004), with our lensing statistics. We show that weak lensing selected clusters are excellent probes of cosmology when combined with cosmic shear power spectrum even in the presence of galaxy shape noise and masked regions. With the information from weak lensing selected clusters, the precision of cosmological parameter estimates can be improved by a factor of ˜1.6 and ˜8 for the wCDM model and f(R) model, respectively. The Hyper Suprime-Cam survey with sky coverage of 1250 degrees squared can constrain the equation of state of dark energy w0 with a level of Δw0 ˜ 0.1. It can also constrain the additional scalar degree of freedom in the f(R) model with a level of |fR0| ˜ 5 × 10-6, when constraints from cosmic microwave background measurements are incorporated. Future weak lensing surveys with sky coverage of 20000 degrees squared will place tighter constraints on w0 and |fR0| even without cosmic microwave background measurements.

  4. On the quasi-steady aerodynamics of normal hovering flight part II: model implementation and evaluation.

    PubMed

    Nabawy, Mostafa R A; Crowther, William J

    2014-05-01

    This paper introduces a generic, transparent and compact model for the evaluation of the aerodynamic performance of insect-like flapping wings in hovering flight. The model is generic in that it can be applied to wings of arbitrary morphology and kinematics without the use of experimental data, is transparent in that the aerodynamic components of the model are linked directly to morphology and kinematics via physical relationships and is compact in the sense that it can be efficiently evaluated for use within a design optimization environment. An important aspect of the model is the method by which translational force coefficients for the aerodynamic model are obtained from first principles; however important insights are also provided for the morphological and kinematic treatments that improve the clarity and efficiency of the overall model. A thorough analysis of the leading-edge suction analogy model is provided and comparison of the aerodynamic model with results from application of the leading-edge suction analogy shows good agreement. The full model is evaluated against experimental data for revolving wings and good agreement is obtained for lift and drag up to 90° incidence. Comparison of the model output with data from computational fluid dynamics studies on a range of different insect species also shows good agreement with predicted weight support ratio and specific power. The validated model is used to evaluate the relative impact of different contributors to the induced power factor for the hoverfly and fruitfly. It is shown that the assumption of an ideal induced power factor (k = 1) for a normal hovering hoverfly leads to a 23% overestimation of the generated force owing to flapping.

  5. PREDICTING ER BINDING AFFINITY FOR EDC RANKING AND PRIORITIZATION: MODEL II

    EPA Science Inventory

    The training set used to derive a common reactivity pattern (COREPA) model for estrogen receptor (ER) binding affinity in Model I (see Abstract I in this series) was extended to include 47 rat estrogen receptor (rER) relative binding affinity (RBA) measurements in addition to the...

  6. Evaluation of Vocational Technical Education. Phase II. A Skeletal Model with Suggested Research and Development Activities.

    ERIC Educational Resources Information Center

    New Educational Directions, Crawfordsville, IN.

    Phase 2 of this project presents a skeletal model for evaluating vocational education programs which can be applied to secondary, post-secondary, and adult education programs. The model addresses 13 main components of the vocational education system: descriptive information, demonstration of need, student recruitment and selection, curriculum,…

  7. Low-temperature charging of lithium-ion cells Part II: Model reduction and application

    NASA Astrophysics Data System (ADS)

    Remmlinger, Jürgen; Tippmann, Simon; Buchholz, Michael; Dietmayer, Klaus

    2014-05-01

    Lithium-ion cells, especially when used in electric vehicles at varying operation conditions, require a sophisticated battery management to ensure an optimal operation regarding operation limits, performance, and maximum lifetime. In some cases, the best trade-off between these conflictive goals can only be reached by considering internal, non-measurable cell characteristics. This article presents a data-driven model-reduction method for a strict electrochemical model. The model describes the charging process of a lithium-ion cell and possibly occurring degradation effects in a large temperature range and is presented in Part I of this contribution. The model-reduction process is explained in detail, and the gained model is compared to the original electrochemical model showing a very high approximation quality. This reduced model offers a very low computation complexity and is therefore suitable for the implementation in a battery management system (BMS). Based on this model, an advanced charging strategy is presented and evaluated for possible reductions in charging times especially at low temperatures.

  8. A REGIONAL ATMOSPHERIC FATE AND TRANSPORT MODEL FOR ATRAZINE PART II: EVALUATION

    EPA Science Inventory

    The Community Multiscale Air Quality (CMAQ) modeling system has been adapted to simulate the fate and transport of atrazine. The simulation spans April to mid-July 1995 for a domain encompassing the United States and southern Canada east of the Rocky Mountains. Model results ...

  9. Assessing Wildlife Habitat Value of New England Salt Marshes: II. Model Testing and Validation

    EPA Science Inventory

    We test a previously described model to assess the wildlife habitat value of New England salt marshes by comparing modeled habitat values and scores with bird abundance and species richness at sixteen salt marshes in Narragansett Bay, Rhode Island USA. Assessment scores ranged f...

  10. The 1995 revision of the joint US/UK geomagnetic field models. II: Main field

    USGS Publications Warehouse

    Quinn, J.M.; Coleman, R.J.; Macmillan, S.; Barraclough, D.R.

    1997-01-01

    This paper presents the 1995 main-field revision of the World Magnetic Model (WMM-95). It is based on Project MAGNET high-level (??? 15,000 ft.) vector aeromagnetic survey data collected between 1988 and 1994 and on scalar total intensity data collected by the Polar Orbiting Geomagnetic Survey (POGS) satellite during the period 1991 through 1993. The spherical harmonic model produced from these data describes that portion of the Earth's magnetic field generated internal to the Earth's surface at the 1995.0 Epoch. When combined with the spherical harmonic model of the Earth's secular variation described in paper I, the Earth's main magnetic field is fully characterized between the years 1995 and 2000. Regional magnetic field models for the conterminous United States, Alaska and, Hawaii were generated as by-products of the global modeling process.

  11. River Water Quality Model no. 1 (RWQM1): II. Biochemical process equations.

    PubMed

    Reichert, P; Borchardt, D; Henze, M; Rauch, W; Shanahan, P; Somlyódy, L; Vanrolleghem, P

    2001-01-01

    In this paper, biochemical process equations are presented as a basis for water quality modelling in rivers under aerobic and anoxic conditions. These equations are not new, but they summarise parts of the development over the past 75 years. The primary goals of the presentation are to stimulate communication among modellers and field-oriented researchers of river water quality and of wastewater treatment, to facilitate practical application of river water quality modelling, and to encourage the use of elemental mass balances for the derivation of stoichiometric coefficients of biochemical transformation processes. This paper is part of a series of three papers. In the first paper, the general modelling approach is described; in the present paper, the biochemical process equations of a complex model are presented; and in the third paper, recommendations are given for the selection of a reasonable submodel for a specific application.

  12. Modeling of fluidized-bed combustion of coal: Phase II, final reports. Volume 1. Model evolution and development

    SciTech Connect

    Louis, J.F.; Tung, S.E.

    1980-10-01

    The Energy Laboratory of the Massachusetts Institute of Technology (M.I.T.), under Department of Energy (DOE) sponsorship, has been engaged in the development of a comprehensive mechanistic model of Fluidized Bed Combustors (FBC). The primary aims of this modeling effort are the generation and to the extent possible, validation of an analytical framework for the design and scale-up of fluidized bed combustors. In parallel with this modeling effort, M.I.T. also embarked upon the development of an FBC-Data Base Management System (FBC-DBMS) aimed at facilitating the coordination, interpretation and utilization of the experimental data that are or will become available from diverse sources, as well as in the identification of areas of large uncertainty or having a paucity of experimental results. The synergistic operation of the FBC-Model and FBC-Data Base promises to offer a powerful tool for the design and optimization of FBC's and represents the ultimate goal of the M.I.T. effort. The modeling effort was initially focused upon evaluation and application of state-of-the-art models. The initial system model was divided into five basic components: fluid dynamics, combustion, sulfur capture, heat transfer and emissions. Due to the technical complexity of modeling FBC operation and the initial primitive nature of models for these components, it was deemed necessary to be able to incorporate evolutionary improvements in understanding and correlating FBC phenomena: the M.I.T. system model is, therefore, modular in nature, i.e., each sub-model can be replaced by an updated or equivalent sub-model without necessitating reprogramming of the entire system model.

  13. Assessing the wildlife habitat value of New England salt marshes: II. Model testing and validation.

    PubMed

    McKinney, Richard A; Charpentier, Michael A; Wigand, Cathleen

    2009-07-01

    We tested a previously described model to assess the wildlife habitat value of New England salt marshes by comparing modeled habitat values and scores with bird abundance and species richness at sixteen salt marshes in Narragansett Bay, Rhode Island USA. As a group, wildlife habitat value assessment scores for the marshes ranged from 307-509, or 31-67% of the maximum attainable score. We recorded 6 species of wading birds (Ardeidae; herons, egrets, and bitterns) at the sites during biweekly survey. Species richness (r (2)=0.24, F=4.53, p=0.05) and abundance (r (2)=0.26, F=5.00, p=0.04) of wading birds significantly increased with increasing assessment score. We optimized our assessment model for wading birds by using Akaike information criteria (AIC) to compare a series of models comprised of specific components and categories of our model that best reflect their habitat use. The model incorporating pre-classification, wading bird habitat categories, and natural land surrounding the sites was substantially supported by AIC analysis as the best model. The abundance of wading birds significantly increased with increasing assessment scores generated with the optimized model (r (2)=0.48, F=12.5, p=0.003), demonstrating that optimizing models can be helpful in improving the accuracy of the assessment for a given species or species assemblage. In addition to validating the assessment model, our results show that in spite of their urban setting our study marshes provide substantial wildlife habitat value. This suggests that even small wetlands in highly urbanized coastal settings can provide important wildlife habitat value if key habitat attributes (e.g., natural buffers, habitat heterogeneity) are present.

  14. VizieR Online Data Catalog: SSP in NIR. II. Synthesis models (Meneses-Goytia+, 2015)

    NASA Astrophysics Data System (ADS)

    Meneses-Goytia, S.; Peletier, R. F.; Trager, S. C.; Vazdekis, A.

    2015-08-01

    The present Single Stellar Populations (SSP) models are derived from my Ph.D.'s thesis and this paper. The following nomenclature is used throughout the paper and the website (http://smg.astro-research.net/ssp-models/the-models/) to describe the models, e.g. MarS models use the M08 isochrones (Mar) and the Salpeter (S) IMF. General information about the models is given in table1. For further information, please refer to the paper. Each set of models and their corresponding predictions are available in the website and VIZIER. The spectral energy distributions (SEDs) can be downloaded in a zip-file from those pages in ascii format . The spectral energy distributions (SEDs) can be downloaded in a zip-file from t hose pages in ascii format . The nomenclature of each SED is as follows: isochroneIMFsedXXXXHZX.XXXXXXXXXTgXX.XXXXXXXe+XX - where XXXX tells whether those models contain C-stars or no (COMBO or NOCS respectively) H is the spectral band in which normalization occurred Z_X.XXXXXXXXX is the metallicity in terms of Z Tg_XX.XXXXXXXe+XX is the age in years. Each set of models contains MarS - 96 SEDs GirS - 96 SEDs BaSS - 116 SEDs We have also included in the websites the Integrated colours and line-strength indices from all our models (MarS, GirS and BaSS). The SEDs were convolved to a velocity dispersion of 350km/s before calculating indices. (5 data files).

  15. Using DFT methodology for more reliable predictive models: Design of inhibitors of Golgi α-Mannosidase II.

    PubMed

    Bobovská, Adela; Tvaroška, Igor; Kóňa, Juraj

    2016-05-01

    Human Golgi α-mannosidase II (GMII), a zinc ion co-factor dependent glycoside hydrolase (E.C.3.2.1.114), is a pharmaceutical target for the design of inhibitors with anti-cancer activity. The discovery of an effective inhibitor is complicated by the fact that all known potent inhibitors of GMII are involved in unwanted co-inhibition with lysosomal α-mannosidase (LMan, E.C.3.2.1.24), a relative to GMII. Routine empirical QSAR models for both GMII and LMan did not work with a required accuracy. Therefore, we have developed a fast computational protocol to build predictive models combining interaction energy descriptors from an empirical docking scoring function (Glide-Schrödinger), Linear Interaction Energy (LIE) method, and quantum mechanical density functional theory (QM-DFT) calculations. The QSAR models were built and validated with a library of structurally diverse GMII and LMan inhibitors and non-active compounds. A critical role of QM-DFT descriptors for the more accurate prediction abilities of the models is demonstrated. The predictive ability of the models was significantly improved when going from the empirical docking scoring function to mixed empirical-QM-DFT QSAR models (Q(2)=0.78-0.86 when cross-validation procedures were carried out; and R(2)=0.81-0.83 for a testing set). The average error for the predicted ΔGbind decreased to 0.8-1.1kcalmol(-1). Also, 76-80% of non-active compounds were successfully filtered out from GMII and LMan inhibitors. The QSAR models with the fragmented QM-DFT descriptors may find a useful application in structure-based drug design where pure empirical and force field methods reached their limits and where quantum mechanics effects are critical for ligand-receptor interactions. The optimized models will apply in lead optimization processes for GMII drug developments. PMID:27035259

  16. Development and Evaluation of a Reactive-Dispersive Plume Model: TexAQS II 2006 Case Study

    NASA Astrophysics Data System (ADS)

    Kim, Yong Hoon; Kim, Hyun Soo; Song, Chul Han

    2015-04-01

    We describe the development and evaluation of a reactive-dispersive plume model (RDPM) that combines a photo-chemistry model with a plume dilution driven by turbulent dispersion of a power-plant plume. The plume transport and turbulent dispersion are derived from a Gaussian plume model and the plume chemistry model uses 71 HxOy-NxOy-CH4 chemistry-related reactions and 184 NMHC-related reactions. Emissions from large-scale point sources have continuously increased due to the rapid industrial growth. To extensively understand and assess atmospheric impacts of the power-plant emissions, a general RDPM was applied to simultaneously simulate the dynamics and photo-chemistry of the Texas power-plant plumes. During the second Texas Air Quality Study 2006 (TexAQS II 2006) on 16 September 2006, pollutant concentrations were measured by NOAA WP-3D aircraft with successive transects across power-plant plumes in Texas, USA. The simulation performances of the RDPM were evaluated by a comparison study, using the observation data obtained from the measurements of a NOAA WP-3D flight during TexAQS II 2006 airborne field campaign. On 16 September, the WP-3D aircraft observed mainly meteorological parameters and particulate species concentrations, traversing the Monticello and Welsh power-plant plumes four times from transects A to D. In addition, some meteorological variables in an initial condition for model simulation were obtained from the Weather Research and Forecasting (WRF) model output for the specific objects. These power-plant plume cases were selected in this study, because a large number of nitrogen oxides and sulfur dioxide concentrations inside the power-plant plumes were measured without any interruption of other emission sources. For the Monticello and Welsh power-plant plumes, the model-predicted concentrations showed good agreements with the observed concentrations of ambient species (e.g., nitrogen oxides, ozone, sulfur dioxide, etc.) at the four transects. Based

  17. Structural investigation of mM Ni(II) complex isomers using transmission XAFS: the significance of model development.

    PubMed

    Islam, M Tauhidul; Chantler, Christopher T; Cheah, Mun Hon; Tantau, Lachlan J; Tran, Chanh Q; Best, Stephen P

    2015-11-01

    High-accuracy transmission XAFS determined using the hybrid technique has been used to refine the geometries of bis(N-n-propyl-salicylaldiminato) nickel(II) (n-pr Ni) and bis(N-i-propyl-salicylaldiminato) nickel(II) (i-pr Ni) complexes which have approximately square planar and tetrahedral metal coordination. Multiple-scattering formalisms embedded in FEFF were used for XAFS modelling of the complexes. Here it is shown that an IFEFFIT-like package using weighting from experimental uncertainty converges to a well defined XAFS model. Structural refinement of (i-pr Ni) was found to yield a distorted tetrahedral geometry providing an excellent fit, χr(2) = 2.94. The structure of (n-pr Ni) is best modelled with a distorted square planar geometry, χr(2) = 3.27. This study demonstrates the insight that can be obtained from the propagation of uncertainty in XAFS analysis and the consequent confidence which can be obtained in hypothesis testing and in analysis of alternate structures ab initio. It also demonstrates the limitations of this (or any other) data set by defining the point at which signal becomes embedded in noise or amplified uncertainty, and hence can justify the use of a particular k-range for one data set or a different range for another. It is demonstrated that, with careful attention to data collection, including the correction of systematic errors with statistical analysis of uncertainty (the hybrid method), it is possible to obtain reliable structural information from dilute solutions using transmission XAFS data. PMID:26524313

  18. Systems approach to excitation-energy and electron transfer reaction networks in photosystem II complex: model studies for chlorophyll a fluorescence induction kinetics.

    PubMed

    Matsuoka, Takeshi; Tanaka, Shigenori; Ebina, Kuniyoshi

    2015-09-01

    Photosystem II (PS II) is a protein complex which evolves oxygen and drives charge separation for photosynthesis employing electron and excitation-energy transfer processes over a wide timescale range from picoseconds to milliseconds. While the fluorescence emitted by the antenna pigments of this complex is known as an important indicator of the activity of photosynthesis, its interpretation was difficult because of the complexity of PS II. In this study, an extensive kinetic model which describes the complex and multi-timescale characteristics of PS II is analyzed through the use of the hierarchical coarse-graining method proposed in the authors׳ earlier work. In this coarse-grained analysis, the reaction center (RC) is described by two states, open and closed RCs, both of which consist of oxidized and neutral special pairs being in quasi-equilibrium states. Besides, the PS II model at millisecond scale with three-state RC, which was studied previously, could be derived by suitably adjusting the kinetic parameters of electron transfer between tyrosine and RC. Our novel coarse-grained model of PS II can appropriately explain the light-intensity dependent change of the characteristic patterns of fluorescence induction kinetics from O-J-I-P, which shows two inflection points, J and I, between initial point O and peak point P, to O-J-D-I-P, which shows a dip D between J and I inflection points.

  19. Numerical simulation of widening and bed deformation of straight sand-bed rivers. II: Model evaluation

    USGS Publications Warehouse

    Darby, S.E.; Thorne, Colin R.; Simon, A.

    1996-01-01

    In this paper the numerical model presented in the companion paper is tested and applied. Assessment of model accuracy was based on two approaches. First, predictions of evolution of a 13.5 km reach of the South Fork of the Forked Deer River, in west Tennessee, were compared to observations over a 24-yr period. Results suggest that although the model was able to qualitatively predict trends of widening and deepening, quantitative predictions were not reliable. Simulated widths and depths were within 15% of the corresponding observed values, but observed change in these parameters at the study sites were also close to these values. Simulated rates of depth adjustment were within 15% of observed rates, but observed rates of channel widening at the study sites were approximately three times those simulated by the model. In the second approach, the model was used to generate relationships between stable channel width and bank-full discharge. The model was able to successfully replicate the form of empirically derived regime-width equations. Simulations were used to demonstrate the model's ability to obtain more realistic predictions of bed evolution in widening channels.

  20. Prediction and assimilation of surf-zone processes using a Bayesian network: Part II: Inverse models

    USGS Publications Warehouse

    Plant, Nathaniel G.; Holland, K. Todd

    2011-01-01

    A Bayesian network model has been developed to simulate a relatively simple problem of wave propagation in the surf zone (detailed in Part I). Here, we demonstrate that this Bayesian model can provide both inverse modeling and data-assimilation solutions for predicting offshore wave heights and depth estimates given limited wave-height and depth information from an onshore location. The inverse method is extended to allow data assimilation using observational inputs that are not compatible with deterministic solutions of the problem. These inputs include sand bar positions (instead of bathymetry) and estimates of the intensity of wave breaking (instead of wave-height observations). Our results indicate that wave breaking information is essential to reduce prediction errors. In many practical situations, this information could be provided from a shore-based observer or from remote-sensing systems. We show that various combinations of the assimilated inputs significantly reduce the uncertainty in the estimates of water depths and wave heights in the model domain. Application of the Bayesian network model to new field data demonstrated significant predictive skill (R2 = 0.7) for the inverse estimate of a month-long time series of offshore wave heights. The Bayesian inverse results include uncertainty estimates that were shown to be most accurate when given uncertainty in the inputs (e.g., depth and tuning parameters). Furthermore, the inverse modeling was extended to directly estimate tuning parameters associated with the underlying wave-process model. The inverse estimates of the model parameters not only showed an offshore wave height dependence consistent with results of previous studies but the uncertainty estimates of the tuning parameters also explain previously reported variations in the model parameters.

  1. A dynamical systems analysis of afferent control in a neuromechanical model of locomotion: II. Phase asymmetry

    NASA Astrophysics Data System (ADS)

    Spardy, Lucy E.; Markin, Sergey N.; Shevtsova, Natalia A.; Prilutsky, Boris I.; Rybak, Ilya A.; Rubin, Jonathan E.

    2011-10-01

    In this paper we analyze a closed loop neuromechanical model of locomotor rhythm generation. The model is composed of a spinal central pattern generator (CPG) and a single-joint limb, with CPG outputs projecting via motoneurons to muscles that control the limb and afferent signals from the muscles feeding back to the CPG. In a preceding companion paper (Spardy et al 2011 J. Neural Eng. 8 065003), we analyzed how the model generates oscillations in the presence or absence of feedback, identified curves in a phase plane associated with the limb that signify where feedback levels induce phase transitions within the CPG, and explained how increasing feedback strength restores oscillations in a model representation of spinal cord injury; from these steps, we derived insights about features of locomotor rhythms in several scenarios and made predictions about rhythm responses to various perturbations. In this paper, we exploit our analytical observations to construct a reduced model that retains important characteristics from the original system. We prove the existence of an oscillatory solution to the reduced model using a novel version of a Melnikov function, adapted for discontinuous systems, and also comment on the uniqueness and stability of this solution. Our analysis yields a deeper understanding of how the model must be tuned to generate oscillations and how the details of the limb dynamics shape overall model behavior. In particular, we explain how, due to the feedback signals in the model, changes in the strength of a tonic supra-spinal drive to the CPG yield asymmetric alterations in the durations of different locomotor phases, despite symmetry within the CPG itself.

  2. Modeling of the HiPco process for carbon nanotube production. II. Reactor-scale analysis.

    PubMed

    Gökçen, Tahir; Dateo, Christopher E; Meyyappan, M

    2002-10-01

    The high-pressure carbon monoxide (HiPco) process, developed at Rice University, has been reported to produce single-walled carbon nanotubes from gas-phase reactions of iron carbonyl in carbon monoxide at high pressures (10-100 atm). Computational modeling is used here to develop an understanding of the HiPco process. A detailed kinetic model of the HiPco process that includes of the precursor, decomposition metal cluster formation and growth, and carbon nanotube growth was developed in the previous article (Part I). Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. The diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by the Boudouard reaction with metal catalysts. Based on the detailed model simulations, a reduced kinetic model was also developed in Part I for use in reactor-scale flowfield calculations. Here this reduced kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance. Carbon nanotube growth is examined with respect to several process variables (peripheral jet temperature, reactor pressure, and Fe(CO)5 concentration) with the use of the axisymmetric model, and the computed results are compared with existing experimental data. The model yields most of the qualitative trends observed in the experiments and helps to understanding the fundamental processes in HiPco carbon nanotube production. PMID:12908292

  3. Numerical modeling of beam-environment interactions in the PEP-II B-Factory

    SciTech Connect

    Ng, C.K.; Ko, K.; Li, Z.; Lin, X.E.

    1996-11-01

    The PEP-II B-Factory is designed to operate at high currents with many bunches (1658) to achieve the luminosity required for physics studies. Interactions of a beam with its environment in a storage ring raise various issues of concern for accelerator physics, mechanical design and device performance. First, for accelerator physics, wakefields generated by interactions of a beam with beamline components, if not properly controlled, will drive single-bunch and coupled-bunch instabilities. The total broad-band impedance of the ring cannot exceed a budget limited by single-bunch effects. The growth rate of a coupled-bunch mode contributed from narrow-band impedance should be smaller than the damping rate due to synchrotron radiation; otherwise, suppression by feedback control will be necessary. Second, the energy loss by a beam at a beamline component in the form of higher-order-mode (HOM) power leads to additional heating on the component, and to TE mode radiation through openings on vacuum chamber walls. Last, calculations of transfer and beam impedances of pickup and kicker devices are essential for improving their performance and for identifying trapped modes. To address these issues quantitatively requires numerical simulations of each beamline component which include the realistic geometry and the relevant physics involved in the particular beam-environment interactions.

  4. Model-Based Assessment of Alternative Study Designs in Pediatric Trials. Part II: Bayesian Approaches.

    PubMed

    Smania, G; Baiardi, P; Ceci, A; Cella, M; Magni, P

    2016-08-01

    This study presents a pharmacokinetic-pharmacodynamic based clinical trial simulation framework for evaluating the performance of a fixed-sample Bayesian design (BD) and two alternative Bayesian sequential designs (BSDs) (i.e., a non-hierarchical (NON-H) and a semi-hierarchical (SEMI-H) one). Prior information was elicited from adult trials and weighted based on the expected similarity of response to treatment between the pediatric and adult populations. Study designs were evaluated in terms of: type I and II errors, sample size per arm (SS), trial duration (TD), and estimate precision. No substantial differences were observed between NON-H and SEMI-H. BSDs require, on average, smaller SS and TD compared to the BD, which, on the other hand, guarantees higher estimate precision. When large differences between children and adults are expected, BSDs can return very large SS. Bayesian approaches appear to outperform their frequentist counterparts in the design of pediatric trials even when little weight is given to prior information from adults. PMID:27530374

  5. Low-frequency oscillations in radiative-convective systems. Part II: An idealized model

    SciTech Connect

    Hu, Q. |; Randall, D.A.

    1995-02-15

    A simple model is used to examine the hypothesis that nonlinear interactions among atmospheric radiation, cumulus convection, and the surface moisture flux can result in a stationary, low-frequency (30-60 day period) oscillating heat source in the tropical atmosphere. The model produces low-frequency oscillations of temperature, moisture, and precipitation. The mechanism that produces these oscillations is identified through analyses of the model and its results. The relevance of this mechanism to understanding the observed Madden-Julian oscillation in the tropical atmosphere over the Indian and western Pacific Oceans is discussed. 17 refs., 12 figs., 2 tabs.

  6. Modeling Contamination Migration on the Chandra X-ray Observatory - II

    NASA Technical Reports Server (NTRS)

    O'Dell, Stephen L.; Swartz, Douglas A.; Tice, Neil W.; Plucinsky, Paul P.; Grant, Catherine E.; Marshall, Herman L.; Vikhlinin, Alexey A.; Tennant, Allyn F.

    2013-01-01

    During its first 14 years of operation, the cold (about -60C) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X-ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low-energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition have changed. This evolution has motivated further analysis of contamination migration within and near the ACIS cavity. To this end, the current study employs a higher-fidelity geometric model of the ACIS cavity, detailed thermal modeling based upon temperature data, and a refined model of the molecular transport.

  7. Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.

    PubMed

    Jongbloed, Linda S; García-López, Diego; van Heck, Richard; Siegler, Maxime A; Carbó, Jorge J; van der Vlugt, Jarl Ivar

    2016-08-15

    Coordination of the reactive phosphinitopyridylphenyl PONCPh ligand L(H) to NiBr2 initially yields paramagnetic brown NiBr2(L(H)) (1), but addition of triethylamine results in fast and facile cyclometalation at Ni(II), giving NiBr(κ(3)-P,N,C-L) (2) as well-defined species. This is a rare example of direct cyclometalation at Ni(II) from a C-H bond in a ligand structure other than encumbering ligands (e.g., ECE pincers). Diamagnetic yellow complex 2 reacts instantaneously with HBF4 to give purple [NiBr(κ(3)-P,N-L(H))]BF4 (3). A very unusual (an)agostic Ni(CPh-H) interaction in the solid-state structure of 3 was unequivocally demonstrated using single-crystal X-ray crystallography and was interpreted by density functional theory calculations (quantum theory of atoms in molecules and electron localization function analysis). These compounds may be viewed as models for key intermediates in the Ni-catalyzed C-H functionalization of arenes. PMID:27479533

  8. Application of nonlocal models to nano beams. Part II: Thickness length scale effect.

    PubMed

    Kim, Jun-Sik

    2014-10-01

    Applicability of nonlocal models to nano-beams is discussed in terms of the Eringen's nonlocal Euler-Bernoulli (EB) beam model. In literature, most work has taken the axial coordinate derivative in the Laplacian operator presented in nonlocal elasticity. This causes that the non-locality always makes the beam soften as compared to the local counterpart. In this paper, the thickness scale effect is solely considered to investigate if the nonlocal model can simulate stiffening effect. Taking the thickness derivative in the Laplacian operator leads to the presence of a surface stress state. The governing equation derived is compared to that of the EB model with the surface stress. The results obtained reveal that the nonlocality tends to decrease the bending moment stiffness whereas to increase the bending rigidity in the governing equation. This tendency also depends on the surface conditions. PMID:25942832

  9. The brain decade in debate: II. Panic or anxiety? From animal models to a neurobiological basis.

    PubMed

    Andreatini, R; Blanchard, C; Blanchard, R; Brandão, M L; Carobrez, A P; Griebel, G; Guimarães, F S; Handley, S L; Jenck, F; Leite, J R; Rodgers, J; Schenberg, L C; Da Cunha, C; Graeff, F G

    2001-02-01

    This article is a transcription of an electronic symposium sponsored by the Brazilian Society of Neuroscience and Behavior (SBNeC). Invited researchers from the European Union, North America and Brazil discussed two issues on anxiety, namely whether panic is a very intense anxiety or something else, and what aspects of clinical anxiety are reproduced by animal models. Concerning the first issue, most participants agreed that generalized anxiety and panic disorder are different on the basis of clinical manifestations, drug response and animal models. Also, underlying brain structures, neurotransmitter modulation and hormonal changes seem to involve important differences. It is also common knowledge that existing animal models generate different types of fear/anxiety. A challenge for future research is to establish a good correlation between animal models and nosological classification.

  10. Reliability of a new biokinetic model of zirconium in internal dosimetry: part II, parameter sensitivity analysis.

    PubMed

    Li, Wei Bo; Greiter, Matthias; Oeh, Uwe; Hoeschen, Christoph

    2011-12-01

    The reliability of biokinetic models is essential for the assessment of internal doses and a radiation risk analysis for the public and occupational workers exposed to radionuclides. In the present study, a method for assessing the reliability of biokinetic models by means of uncertainty and sensitivity analysis was developed. In the first part of the paper, the parameter uncertainty was analyzed for two biokinetic models of zirconium (Zr); one was reported by the International Commission on Radiological Protection (ICRP), and one was developed at the Helmholtz Zentrum München-German Research Center for Environmental Health (HMGU). In the second part of the paper, the parameter uncertainties and distributions of the Zr biokinetic models evaluated in Part I are used as the model inputs for identifying the most influential parameters in the models. Furthermore, the most influential model parameter on the integral of the radioactivity of Zr over 50 y in source organs after ingestion was identified. The results of the systemic HMGU Zr model showed that over the first 10 d, the parameters of transfer rates between blood and other soft tissues have the largest influence on the content of Zr in the blood and the daily urinary excretion; however, after day 1,000, the transfer rate from bone to blood becomes dominant. For the retention in bone, the transfer rate from blood to bone surfaces has the most influence out to the endpoint of the simulation; the transfer rate from blood to the upper larger intestine contributes a lot in the later days; i.e., after day 300. The alimentary tract absorption factor (fA) influences mostly the integral of radioactivity of Zr in most source organs after ingestion.

  11. Lagrangian theory of structure formation in relativistic cosmology. II. Average properties of a generic evolution model

    NASA Astrophysics Data System (ADS)

    Buchert, Thomas; Nayet, Charly; Wiegand, Alexander

    2013-06-01

    Kinematical and dynamical properties of a generic inhomogeneous cosmological model, spatially averaged with respect to free-falling (generalized fundamental) observers, are investigated for the matter model “irrotational dust.” Paraphrasing a previous Newtonian investigation, we present a relativistic generalization of a backreaction model based on volume-averaging the “relativistic Zel’dovich approximation.” In this model we investigate the effect of “kinematical backreaction” on the evolution of cosmological parameters as they are defined in an averaged inhomogeneous cosmology, and we show that the backreaction model interpolates between orthogonal symmetry properties by covering subcases of the plane-symmetric solution, the Lemaître-Tolman-Bondi solution and the Szekeres solution. We so obtain a powerful model that lays the foundations for quantitatively addressing curvature inhomogeneities as they would be interpreted as “dark energy” or “dark matter” in a quasi-Newtonian cosmology. The present model, having a limited architecture due to an assumed Friedmann-Lemaître-Robertson-Walker background, is nevertheless capable of replacing 1/4 of the needed amount for dark energy on domains of 200 Mpc in diameter for typical (one-sigma) fluctuations in a cold dark matter initial power spectrum. However, the model is far from explaining dark energy on larger scales (spatially), where a 6% effect on 400 Mpc domains is identified that can be traced back to an on average negative intrinsic curvature today. One drawback of the quantitative results presented is the fact that the epoch when backreaction is effective on large scales and leads to volume acceleration lies in the future. We discuss this issue in relation to the initial spectrum, the dark matter problem, the coincidence problem, and the fact that large-scale dark energy is an effect on the past light cone (not spatial), and we pinpoint key elements of future research.

  12. Mathematical modeling of cement paste microstructure by mosaic pattern. Part II. Application

    SciTech Connect

    Tennis, P.D.; Xi, Y.; Jennings, H.M.

    1997-07-01

    A model based on mosaic pattern analysis is shown to have the potential to describe the complex shapes and spatial distribution of phases in the microstructures of multiphase materials. Several characteristics of both micrographs of portland cement pastes and images generated using the few parameters of the model are determined and, for the most part, agreement is good. The advantage is that spatial features of the microstructures can be captured by a few parameters. {copyright} {ital 1997 Materials Research Society.}

  13. Predictive modeling of infrared radiative heating in tomato dry-peeling process: Part II. Model validation and sensitivity analysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A predictive mathematical model was developed to simulate heat transfer in a tomato undergoing double sided infrared (IR) heating in a dry-peeling process. The aims of this study were to validate the developed model using experimental data and to investigate different engineering parameters that mos...

  14. Appendicularian ecophysiology. II. Modeling nutrition, metabolism, growth and reproduction of the appendicularian Oikopleura dioica

    NASA Astrophysics Data System (ADS)

    Lombard, Fabien; Sciandra, Antoine; Gorsky, Gabriel

    2009-11-01

    A model has been developed to simulate the growth of an individual appendicularian ( Oikopleura dioica) from egg to spawning. This model uses a new set of experimental data presented in a companion paper in this volume and estimates growth rates and generation times as well as clearance rates, house and fecal pellet production and reproductive capacity at different temperatures and food concentrations. According to the model outputs, the weight of a single house represents 11.5% of the individual's total weight, a lower value than previously estimated. The relative weight of one fecal pellet varies as a function of food concentration. The model also confirms that the minimum food concentration for growth is about 20-30 µg C l - 1 and that growth is maximal for a 100 µg C l - 1 feeding concentration. The limits of the growth optimum in relation to food concentration and temperature can be considered as a first description of the fundamental ecological niche of appendicularians. This model can be used both for predicting (1) the impact of in situ observed populations on the pico- and nanoseston and (2) the production of large aggregates. These two pieces of information are often needed for large-scale biogeochemical models.

  15. Computational models of music perception and cognition II: Domain-specific music processing

    NASA Astrophysics Data System (ADS)

    Purwins, Hendrik; Grachten, Maarten; Herrera, Perfecto; Hazan, Amaury; Marxer, Ricard; Serra, Xavier

    2008-09-01

    In Part I [Purwins H, Herrera P, Grachten M, Hazan A, Marxer R, Serra X. Computational models of music perception and cognition I: The perceptual and cognitive processing chain. Physics of Life Reviews 2008, in press, doi:10.1016/j.plrev.2008.03.004], we addressed the study of cognitive processes that underlie auditory perception of music, and their neural correlates. The aim of the present paper is to summarize empirical findings from music cognition research that are relevant to three prominent music theoretic domains: rhythm, melody, and tonality. Attention is paid to how cognitive processes like category formation, stimulus grouping, and expectation can account for the music theoretic key concepts in these domains, such as beat, meter, voice, consonance. We give an overview of computational models that have been proposed in the literature for a variety of music processing tasks related to rhythm, melody, and tonality. Although the present state-of-the-art in computational modeling of music cognition definitely provides valuable resources for testing specific hypotheses and theories, we observe the need for models that integrate the various aspects of music perception and cognition into a single framework. Such models should be able to account for aspects that until now have only rarely been addressed in computational models of music cognition, like the active nature of perception and the development of cognitive capacities from infancy to adulthood.

  16. Modeling the influence of cyclodextrins on oral absorption of low solubility drugs: II. Experimental validation.

    PubMed

    Gamsiz, Ece Dilber; Miller, Lee; Thombre, Avinash G; Ahmed, Imran; Carrier, Rebecca Lyn

    2010-02-01

    A model was developed for predicting the influence of cyclodextrins (CDs) delivered as a physical mixture with drug on oral absorption. CDs are cyclic oligosaccharides which form inclusion complexes with many drugs and are often used as solubilizing agents. The purpose of this work is to compare the simulation predictions with in vitro as well as in vivo experimental results to test the model's ability to capture the influence of CD on key processes in the gastrointestinal (GI) tract environment. Dissolution and absorption kinetics of low solubility drugs (Naproxen and Nifedipine) were tested in the presence and absence of CD in a simulated gastrointestinal environment. Model predictions were also compared with in vivo experimental results (Glibenclamide and Carbamazepine) from the literature to demonstrate the model's ability to predict oral bioavailability. Comparisons of simulation and experimental results indicate that a model incorporating the influence of CD (delivered as a physical mixture) on dissolution kinetics and binding of neutral drug can predict trends in the influence of CD on bioavailability. Overall, a minimal effect of CD dosed as a physical mixture was observed and predicted. Modeling may aid in enabling rational design of CD containing formulations.

  17. Pulsations of rapidly rotating stars. II. Realistic modelling for intermediate-mass stars

    NASA Astrophysics Data System (ADS)

    Ouazzani, R.-M.; Roxburgh, I. W.; Dupret, M.-A.

    2015-07-01

    Context. Very high precision seismic space missions such as CoRoT and Kepler provide the means for testing the modelling of transport processes in stellar interiors. For some stars, such as δ Scuti, γ Doradus, and Be stars, the observed pulsation spectra are modified by rotation to such an extent that it prevents any fruitful interpretation. Aims: Our aim is to characterise acoustic pulsation spectra of realistic stellar models in order to be able to interpret asteroseismic data from such stars. Methods: The 2D oscillation code ACOR, which treats rotation in a non-perturbative manner, is used to study pulsation spectra of highly distorted evolved models of stars. Two-dimensional models of stars are obtained by a self-consistent method that distorts spherically averaged stellar models a posteriori, at any stage of evolution, and for any type of rotation law. Results: Four types of modes are calculated in a very dense frequency spectrum, among which are island modes. The regularity of the island modes spectrum is confirmed and yields a new set of quantum numbers, with which an échelle diagram can be built. Mixed gravito-acoustic modes are calculated in rapidly rotating models for the first time.

  18. Explicit Finite Element Modeling of Multilayer Composite Fabric for Gas Turbine Engine Containment Systems, Phase II. Part 3; Material Model Development and Simulation of Experiments

    NASA Technical Reports Server (NTRS)

    Simmons, J.; Erlich, D.; Shockey, D.

    2009-01-01

    A team consisting of Arizona State University, Honeywell Engines, Systems & Services, the National Aeronautics and Space Administration Glenn Research Center, and SRI International collaborated to develop computational models and verification testing for designing and evaluating turbine engine fan blade fabric containment structures. This research was conducted under the Federal Aviation Administration Airworthiness Assurance Center of Excellence and was sponsored by the Aircraft Catastrophic Failure Prevention Program. The research was directed toward improving the modeling of a turbine engine fabric containment structure for an engine blade-out containment demonstration test required for certification of aircraft engines. The research conducted in Phase II began a new level of capability to design and develop fan blade containment systems for turbine engines. Significant progress was made in three areas: (1) further development of the ballistic fabric model to increase confidence and robustness in the material models for the Kevlar(TradeName) and Zylon(TradeName) material models developed in Phase I, (2) the capability was improved for finite element modeling of multiple layers of fabric using multiple layers of shell elements, and (3) large-scale simulations were performed. This report concentrates on the material model development and simulations of the impact tests.

  19. DO-BOD modeling of River Yamuna for national capital territory, India using STREAM II, a 2D water quality model.

    PubMed

    Sharma, Deepshikha; Singh, Ram Karan

    2009-12-01

    The study illustrates the utility of STREAM II as a modeling package to determine the pollution load due to organic matter in the River Yamuna during its course through the National Capital Territory that is Delhi, India. The study was done for a period from 1995-2005. Model simulates the dissolved oxygen and biochemical oxygen demand parameters in a two-dimensional fashion by performing the numerical solution to a set of differential equations representing aquatic life with the help of Crank-Nicholson finite difference method. The model was simulated and calibrated through the field water-quality primary data and the secondary data which were taken from Central Pollution Control Board. The main reasons for the high river pollution is increasing population of Delhi and other states, leading to generation of huge amounts of domestic sewage into the river Yamuna. The model gave a good agreement between calibrated and observed data, thus, actualizing the validity of the model. However, discrepancies noticed during model calibrations were attributed to the assumptions adopted in the model formulation and to lack of field data. PMID:19020982

  20. DO-BOD modeling of River Yamuna for national capital territory, India using STREAM II, a 2D water quality model.

    PubMed

    Sharma, Deepshikha; Singh, Ram Karan

    2009-12-01

    The study illustrates the utility of STREAM II as a modeling package to determine the pollution load due to organic matter in the River Yamuna during its course through the National Capital Territory that is Delhi, India. The study was done for a period from 1995-2005. Model simulates the dissolved oxygen and biochemical oxygen demand parameters in a two-dimensional fashion by performing the numerical solution to a set of differential equations representing aquatic life with the help of Crank-Nicholson finite difference method. The model was simulated and calibrated through the field water-quality primary data and the secondary data which were taken from Central Pollution Control Board. The main reasons for the high river pollution is increasing population of Delhi and other states, leading to generation of huge amounts of domestic sewage into the river Yamuna. The model gave a good agreement between calibrated and observed data, thus, actualizing the validity of the model. However, discrepancies noticed during model calibrations were attributed to the assumptions adopted in the model formulation and to lack of field data.

  1. The modelling of an SF6 arc in a supersonic nozzle: II. Current zero behaviour of the nozzle arc

    NASA Astrophysics Data System (ADS)

    Zhang, Q.; Liu, J.; Yan, J. D.; Fang, M. T. C.

    2016-08-01

    The present work (part II) forms the second part of an investigation into the behaviour of SF6 nozzle arc. It is concerned with the aerodynamic and electrical behaviour of a transient nozzle arc under a current ramp specified by a rate of current decay (di/dt) before current zero and a voltage ramp (dV/dt) after current zero. The five flow models used in part I [1] for cold gas flow and DC nozzle arcs have been applied to study the transient arc at three stagnation pressures (P 0) and two values of di/dt for the current ramp, representing a wide range of arcing conditions. An analysis of the physical mechanisms encompassed in each flow model is given with an emphasis on the adequacy of a particular model in describing the rapidly varying arc around current zero. The critical rate of rise of recovery voltage (RRRV) is found computationally and compared with test results of Benenson et al [2]. For transient nozzle arcs, the RRRV is proportional to the square of P 0, rather than to the square root of P 0 for DC nozzle arcs. The physical mechanisms responsible for the strong dependence of RRRV on P 0 have been investigated. The relative merits of the flow models employed are discussed.

  2. The Development of Midlatitude Cirrus Models for MODIS Using FIRE-I, FIRE-II, and ARM In Situ Data

    NASA Technical Reports Server (NTRS)

    Nasiri, Shaima L.; Baum, Bryan A.; Heymsfield, Andrew J.; Yang, Ping; Poellot, Michael R.; Kratz, David P.; Hu, Yong-Xiang

    2002-01-01

    Detailed in situ data from cirrus clouds have been collected during dedicated field Campaigns, but the use of the size and habit distribution data has been lagging in the development of more realistic cirrus scattering models. In this study, the authors examine the use of in situ cirrus data collected during three field campaigns to develop more realistic midlatitude cirrus microphysical models. Data are used from the First International Satellite Cloud Climatology Project (ISCCP) Regional Experiment (FIRE)-I (1986) and FIRE-II (1991) campaigns and from a recent Atmospheric Radiation Measurement (ARM) Program campaign held in March-April of 2000. The microphysical models are based on measured vertical distributions of both particle size and particle habit and are used to develop new scattering models for a suite of moderate-resolution imaging spectroradiometer (MODIS) bands spanning visible. near-infrared, and infrared wavelengths. The sensitivity of the resulting scattering properties to the underlying assumptions of the assumed particle size and habit distributions are examined. It is found that the near-infrared bands are sensitive not only to the discretization of the size distribution but also to the assumed habit distribution. In addition. the results indicate that the effective diameter calculated from a given size distribution tends to be sensitive to the number of size bins that are used to discretize the data and also to the ice-crystal habit distribution.

  3. Exchange interactions in [2 × 2] Cu(II) grids: on the reliability of the fitting spin models.

    PubMed

    Calzado, Carmen J; Evangelisti, Stefano

    2014-02-21

    This paper reports a theoretical analysis of the electronic structure and magnetic properties of a ferromagnetic Cu(II) [2 × 2] grid. The calculations confirm a quintet (S = 2) ground state and an energy-level distribution of the magnetic states in accordance with Heisenberg behaviour. The whole set of first- and second-neighbour magnetic coupling constants has been evaluated, all in agreement with the structure and arrangement of the Cu 3dx(2) - y(2) magnetic orbitals. The results indicate that the dominant interaction in the system is the ferromagnetic coupling between the nearest Cu sites. The calculated J values suggest a C(2v) spin-spin interaction pattern, instead of the D(4h) model employed in the magnetic data fit. However, both spin models provide similar plots of the thermal dependence of the susceptibility and magnetic moment data. This study highlights the fact that the spin models resulting from the fittings can be just effective models, capable of correctly reproducing the macroscopic properties, although not always in accordance with the microscopic interactions governing these properties.

  4. Black liquor combustion validated recovery boiler modeling: Final year report. Volume 2 (Appendices I, section 5 and II, section 1)

    SciTech Connect

    Grace, T.M.; Frederick, W.J.; Salcudean, M.; Wessel, R.A.

    1998-08-01

    This project was initiated in October 1990, with the objective of developing and validating a new computer model of a recovery boiler furnace using a computational fluid dynamics (CFD) code specifically tailored to the requirements for solving recovery boiler flows, and using improved submodels for black liquor combustion based on continued laboratory fundamental studies. The key tasks to be accomplished were as follows: (1) Complete the development of enhanced furnace models that have the capability to accurately predict carryover, emissions behavior, dust concentrations, gas temperatures, and wall heat fluxes. (2) Validate the enhanced furnace models, so that users can have confidence in the predicted results. (3) Obtain fundamental information on aerosol formation, deposition, and hardening so as to develop the knowledge base needed to relate furnace model outputs to plugging and fouling in the convective sections of the boiler. (4) Facilitate the transfer of codes, black liquid submodels, and fundamental knowledge to the US kraft pulp industry. Volume 2 contains the last section of Appendix I, Radiative heat transfer in kraft recovery boilers, and the first section of Appendix II, The effect of temperature and residence time on the distribution of carbon, sulfur, and nitrogen between gaseous and condensed phase products from low temperature pyrolysis of kraft black liquor.

  5. Stability of the human respiratory control system. II. Analysis of a three-dimensional delay state-space model.

    PubMed

    Batzel, J J; Tran, H T

    2000-07-01

    A number of mathematical models of the human respiratory control system have been developed since 1940 to study a wide range of features of this complex system. Among them, periodic breathing (including Cheyne-Stokes respiration and apneustic breathing) is a collection of regular but involuntary breathing patterns that have important medical implications. The hypothesis that periodic breathing is the result of delay in the feedback signals to the respiratory control system has been studied since the work of Grodins et al. in the early 1950's [1]. The purpose of this paper is to study the stability characteristics of a feedback control system of five differential equations with delays in both the state and control variables presented by Khoo et al. [4] in 1991 for modeling human respiration. The paper is divided in two parts. Part I studies a simplified mathematical model of two nonlinear state equations modeling arterial partial pressures of O2 and CO2 and a peripheral controller. Analysis was done on this model to illuminate the effect of delay on the stability. It shows that delay dependent stability is affected by the controller gain, compartmental volumes and the manner in which changes in the ventilation rate is produced (i.e., by deeper breathing or faster breathing). In addition, numerical simulations were performed to validate analytical results. Part II extends the model in Part I to include both peripheral and central controllers. This, however, necessitates the introduction of a third state equation modeling CO2 levels in the brain. In addition to analytical studies on delay dependent stability, it shows that the decreased cardiac output (and hence increased delay) resulting from the congestive heart condition can induce instability at certain control gain levels. These analytical results were also confirmed by numerical simulations. PMID:10958416

  6. Spectroscopic investigation of new water soluble Mn(II)(2) and Mg(II)(2) complexes for the substrate binding models of xylose/glucose isomerases.

    PubMed

    Patra, Ayan; Bera, Manindranath

    2014-01-30

    In methanol, the reaction of stoichiometric amounts of Mn(OAc)(2)·4H(2)O and the ligand H(3)hpnbpda [H(3)hpnbpda=N,N'-bis(2-pyridylmethyl)-2-hydroxy-1,3-propanediamine-N,N'-diacetic acid] in the presence of NaOH, afforded a new water soluble dinuclear manganese(II) complex, [Mn2(hpnbpda)(μ-OAc)] (1). Similarly, the reaction of Mg(OAc)(2)·4H(2)O and the ligand H3hpnbpda in the presence of NaOH, in methanol, yielded a new water soluble dinuclear magnesium(II) complex, [Mg2(hpnbpda)(μ-OAc)(H2O)2] (2). DFT calculations have been performed for the structural optimization of complexes 1 and 2. The DFT optimized structure of complex 1 shows that two manganese(II) centers are in a distorted square pyramidal geometry, whereas the DFT optimized structure of complex 2 reveals that two magnesium(II) centers adopt a six-coordinate distorted octahedral geometry. To understand the mode of substrate binding and the mechanistic details of the active site metals in xylose/glucose isomerases (XGI), we have investigated the binding interactions of biologically important monosaccharides d-glucose and d-xylose with complexes 1 and 2, in aqueous alkaline solution by a combined approach of FTIR, UV-vis, fluorescence, and (13)C NMR spectroscopic techniques. Fluorescence spectra show the binding-induced gradual decrease in emission of complexes 1 and 2 accompanied by a significant blue shift upon increasing the concentration of sugar substrates. The binding modes of d-glucose and d-xylose with complex 2 are indicated by their characteristic coordination induced shift (CIS) values in (13)C NMR spectra for C1 and C2 carbon atoms.

  7. Towards an accurate and computationally-efficient modelling of Fe(II)-based spin crossover materials.

    PubMed

    Vela, Sergi; Fumanal, Maria; Ribas-Arino, Jordi; Robert, Vincent

    2015-07-01

    The DFT + U methodology is regarded as one of the most-promising strategies to treat the solid state of molecular materials, as it may provide good energetic accuracy at a moderate computational cost. However, a careful parametrization of the U-term is mandatory since the results may be dramatically affected by the selected value. Herein, we benchmarked the Hubbard-like U-term for seven Fe(ii)N6-based pseudo-octahedral spin crossover (SCO) compounds, using as a reference an estimation of the electronic enthalpy difference (ΔHelec) extracted from experimental data (T1/2, ΔS and ΔH). The parametrized U-value obtained for each of those seven compounds ranges from 2.37 eV to 2.97 eV, with an average value of U = 2.65 eV. Interestingly, we have found that this average value can be taken as a good starting point since it leads to an unprecedented mean absolute error (MAE) of only 4.3 kJ mol(-1) in the evaluation of ΔHelec for the studied compounds. Moreover, by comparing our results on the solid state and the gas phase of the materials, we quantify the influence of the intermolecular interactions on the relative stability of the HS and LS states, with an average effect of ca. 5 kJ mol(-1), whose sign cannot be generalized. Overall, the findings reported in this manuscript pave the way for future studies devoted to understand the crystalline phase of SCO compounds, or the adsorption of individual molecules on organic or metallic surfaces, in which the rational incorporation of the U-term within DFT + U yields the required energetic accuracy that is dramatically missing when using bare-DFT functionals.

  8. Binaural processing model based on contralateral inhibition. II. Dependence on spectral parameters.

    PubMed

    Breebaart, J; van de Par, S; Kohlrausch, A

    2001-08-01

    This and two accompanying articles [Breebaart et al., J. Acoust. Soc. Am. 110, 1074-1088 (2001); 110, 1105-1117 (2001)] describe a computational model for the signal processing in the binaural auditory system. The model consists of several stages of monaural and binaural preprocessing combined with an optimal detector. In the present article the model is tested and validated by comparing its predictions with experimental data for binaural discrimination and masking conditions as a function of the spectral parameters of both masker and signal. For this purpose, the model is used as an artificial observer in a three-interval, forced-choice adaptive procedure. All model parameters were kept constant for all simulations described in this and the subsequent article. The effects of the following experimental parameters were investigated: center frequency of both masker and target, bandwidth of masker and target, the interaural phase relations of masker and target, and the level of the masker. Several phenomena that occur in binaural listening conditions can be accounted for. These include the wider effective binaural critical bandwidth observed in band-widening NoS(pi) conditions, the different masker-level dependence of binaural detection thresholds for narrow- and for wide-band maskers, the unification of IID and ITD sensitivity with binaural detection data, and the dependence of binaural thresholds on frequency. PMID:11519577

  9. Surface complexation modeling of Cd(II) sorption to montmorillonite, bacteria, and their composite

    NASA Astrophysics Data System (ADS)

    Wang, Ning; Du, Huihui; Huang, Qiaoyun; Cai, Peng; Rong, Xingmin; Feng, Xionghan; Chen, Wenli

    2016-10-01

    Surface complexation modeling (SCM) has emerged as a powerful tool for simulating heavy metal adsorption processes on the surface of soil solid components under different geochemical conditions. The component additivity (CA) approach is one of the strategies that have been widely used in multicomponent systems. In this study, potentiometric titration, isothermal adsorption, zeta potential measurement, and extended X-ray absorption fine-structure (EXAFS) spectra analysis were conducted to investigate Cd adsorption on 2 : 1 clay mineral montmorillonite, on Gram-positive bacteria Bacillus subtilis, and their mineral-organic composite. We developed constant capacitance models of Cd adsorption on montmorillonite, bacterial cells, and mineral-organic composite. The adsorption behavior of Cd on the surface of the composite was well explained by CA-SCM. Some deviations were observed from the model simulations at pH < 5, where the values predicted by the model were lower than the experimental results. The Cd complexes of X2Cd, SOCd+, R-COOCd+, and R-POCd+ were the predominant species on the composite surface over the pH range of 3 to 8. The distribution ratio of the adsorbed Cd between montmorillonite and bacterial fractions in the composite as predicted by CA-SCM closely coincided with the estimated value of EXAFS at pH 6. The model could be useful for the prediction of heavy metal distribution at the interface of multicomponents and their risk evaluation in soils and associated environments.

  10. A partitioner-centric model for SAMR partitioning trade-off optimization : Part II.

    SciTech Connect

    Steensland, Johan; Ray, Jaideep

    2004-03-01

    Optimal partitioning of structured adaptive mesh applications necessitates dynamically determining and optimizing for the most time-inhibiting factor, such as data migration and communication volume. However, a trivial monitoring of an application evaluates the current partitioning rather than the inherent properties of the grid hierarchy. We present a model that given a structured adaptive grid, determines ab initio to what extent the partitioner should focus on reducing the amount of data migration to reduce execution time. This model contributes to the meta-partitioner, our ultimate aim of being able to select and configure the optimal partitioner based on the dynamic properties of the grid hierarchy and the computer. We validate the predictions of this model by comparing them with actual measurements (via traces) from four different adaptive simulations. The results show that the proposed model generally captures the inherent optimization-need in SAMR applications. We conclude that our model is a useful contribution, since tracking and adapting to the dynamic behavior of such applications lead to potentially large decreases in execution times.

  11. Electromagnetic backscattering from one-dimensional drifting fractal sea surface II: Electromagnetic backscattering model

    NASA Astrophysics Data System (ADS)

    Tao, Xie; William, Perrie; Shang-Zhuo, Zhao; He, Fang; Wen-Jin, Yu; Yi-Jun, He

    2016-07-01

    Sea surface current has a significant influence on electromagnetic (EM) backscattering signals and may constitute a dominant synthetic aperture radar (SAR) imaging mechanism. An effective EM backscattering model for a one-dimensional drifting fractal sea surface is presented in this paper. This model is used to simulate EM backscattering signals from the drifting sea surface. Numerical results show that ocean currents have a significant influence on EM backscattering signals from the sea surface. The normalized radar cross section (NRCS) discrepancies between the model for a coupled wave-current fractal sea surface and the model for an uncoupled fractal sea surface increase with the increase of incidence angle, as well as with increasing ocean currents. Ocean currents that are parallel to the direction of the wave can weaken the EM backscattering signal intensity, while the EM backscattering signal is intensified by ocean currents propagating oppositely to the wave direction. The model presented in this paper can be used to study the SAR imaging mechanism for a drifting sea surface. Project supported by the National Natural Science Foundation of China (Grant No. 41276187), the Global Change Research Program of China (Grant No. 2015CB953901), the Priority Academic Program Development of Jiangsu Higher Education Institutions, China, the Program for the Innovation Research and Entrepreneurship Team in Jiangsu Province, China, the Canadian Program on Energy Research and Development, and the Canadian World Class Tanker Safety Service Program.

  12. Universal tight binding model for chemical reactions in solution and at surfaces. II. Water.

    PubMed

    Lozovoi, A Y; Sheppard, T J; Pashov, D L; Kohanoff, J J; Paxton, A T

    2014-07-28

    A revised water model intended for use in condensed phase simulations in the framework of the self consistent polarizable ion tight binding theory is constructed. The model is applied to water monomer, dimer, hexamers, ice, and liquid, where it demonstrates good agreement with theoretical results obtained by more accurate methods, such as DFT and CCSD(T), and with experiment. In particular, the temperature dependence of the self diffusion coefficient in liquid water predicted by the model, closely reproduces experimental curves in the temperature interval between 230 K and 350 K. In addition, and in contrast to standard DFT, the model properly orders the relative densities of liquid water and ice. A notable, but inevitable, shortcoming of the model is underestimation of the static dielectric constant by a factor of two. We demonstrate that the description of inter and intramolecular forces embodied in the tight binding approximation in quantum mechanics leads to a number of valuable insights which can be missing from ab initio quantum chemistry and classical force fields. These include a discussion of the origin of the enhanced molecular electric dipole moment in the condensed phases, and a detailed explanation for the increase of coordination number in liquid water as a function of temperature and compared with ice--leading to insights into the anomalous expansion on freezing. The theory holds out the prospect of an understanding of the currently unexplained density maximum of water near the freezing point.

  13. Universal tight binding model for chemical reactions in solution and at surfaces. II. Water

    SciTech Connect

    Lozovoi, A. Y.; Sheppard, T. J.; Kohanoff, J. J.; Pashov, D. L.; Paxton, A. T.

    2014-07-28

    A revised water model intended for use in condensed phase simulations in the framework of the self consistent polarizable ion tight binding theory is constructed. The model is applied to water monomer, dimer, hexamers, ice, and liquid, where it demonstrates good agreement with theoretical results obtained by more accurate methods, such as DFT and CCSD(T), and with experiment. In particular, the temperature dependence of the self diffusion coefficient in liquid water predicted by the model, closely reproduces experimental curves in the temperature interval between 230 K and 350 K. In addition, and in contrast to standard DFT, the model properly orders the relative densities of liquid water and ice. A notable, but inevitable, shortcoming of the model is underestimation of the static dielectric constant by a factor of two. We demonstrate that the description of inter and intramolecular forces embodied in the tight binding approximation in quantum mechanics leads to a number of valuable insights which can be missing from ab initio quantum chemistry and classical force fields. These include a discussion of the origin of the enhanced molecular electric dipole moment in the condensed phases, and a detailed explanation for the increase of coordination number in liquid water as a function of temperature and compared with ice—leading to insights into the anomalous expansion on freezing. The theory holds out the prospect of an understanding of the currently unexplained density maximum of water near the freezing point.

  14. X-ray irradiated model stellar atmospheres. II. Comprehensive treatment of Compton scattering

    NASA Astrophysics Data System (ADS)

    Madej, J.; Rózańska, A.

    2000-11-01

    We present equations and details of the computer code for model atmosphere computations, in which we include both nonzero external illumination by very hard X-rays, and Compton scattering opacity and emissivity. We assume both radiative and hydrostatic equilibrium, and LTE equation of state. The code solves simultaneously transfer of thermal radiation emitted by a hot main sequence stellar atmosphere and incident hard X-rays of photon energy approaching electron rest mass. The equation of radiative transfer and remaining equations of equilibrium contain Compton scattering terms appropriate for scattering of photons of arbitrarily large initial energies. In our paper we consider Compton scattering of photons of energy up to 400 keV on free electrons in fully relativistic thermal motion. In this paper we consider illumination of a B3 V type star by isotropic X-rays of diluted thermal spectral distribution with temperature Trad=108 K. Two series of models are computed, hydrogen-helium models and iron rich models. Our results demonstrate, that the external illumination causes extreme temperature rise at least in the uppermost layers. Outgoing spectra exhibit: big UV bump, numerous H, He, and Fe b-f opacity jumps mostly in emission, and also reflected incident spectrum with Compton cut-off. The model spectra also reflect qualitatively spectral properties of the active galactic nuclei (AGN).

  15. Analytical model for non-thermal pressure in galaxy clusters - II. Comparison with cosmological hydrodynamics simulation

    NASA Astrophysics Data System (ADS)

    Shi, Xun; Komatsu, Eiichiro; Nelson, Kaylea; Nagai, Daisuke

    2015-03-01

    Turbulent gas motion inside galaxy clusters provides a non-negligible non-thermal pressure support to the intracluster gas. If not corrected, it leads to a systematic bias in the estimation of cluster masses from X-ray and Sunyaev-Zel'dovich (SZ) observations assuming hydrostatic equilibrium, and affects interpretation of measurements of the SZ power spectrum and observations of cluster outskirts from ongoing and upcoming large cluster surveys. Recently, Shi & Komatsu developed an analytical model for predicting the radius, mass, and redshift dependence of the non-thermal pressure contributed by the kinetic random motions of intracluster gas sourced by the cluster mass growth. In this paper, we compare the predictions of this analytical model to a state-of-the-art cosmological hydrodynamics simulation. As different mass growth histories result in different non-thermal pressure, we perform the comparison on 65 simulated galaxy clusters on a cluster-by-cluster basis. We find an excellent agreement between the modelled and simulated non-thermal pressure profiles. Our results open up the possibility of using the analytical model to correct the systematic bias in the mass estimation of galaxy clusters. We also discuss tests of the physical picture underlying the evolution of intracluster non-thermal gas motions, as well as a way to further improve the analytical modelling, which may help achieve a unified understanding of non-thermal phenomena in galaxy clusters.

  16. Electromagnetic backscattering from one-dimensional drifting fractal sea surface II: Electromagnetic backscattering model

    NASA Astrophysics Data System (ADS)

    Tao, Xie; William, Perrie; Shang-Zhuo, Zhao; He, Fang; Wen-Jin, Yu; Yi-Jun, He

    2016-07-01

    Sea surface current has a significant influence on electromagnetic (EM) backscattering signals and may constitute a dominant synthetic aperture radar (SAR) imaging mechanism. An effective EM backscattering model for a one-dimensional drifting fractal sea surface is presented in this paper. This model is used to simulate EM backscattering signals from the drifting sea surface. Numerical results show that ocean currents have a significant influence on EM backscattering signals from the sea surface. The normalized radar cross section (NRCS) discrepancies between the model for a coupled wave-current fractal sea surface and the model for an uncoupled fractal sea surface increase with the increase of incidence angle, as well as with increasing ocean currents. Ocean currents that are parallel to the direction of the wave can weaken the EM backscattering signal intensity, while the EM backscattering signal is intensified by ocean currents propagating oppositely to the wave direction. The model presented in this paper can be used to study the SAR imaging mechanism for a drifting sea surface. Project supported by the National Natural Science Foundation of China (Grant No. 41276187), the Global Change Research Program of China (Grant No. 2015CB953901), the Priority Academic Program Development of Jiangsu Higher Education Institutions, China, the Program for the Innovation Research and Entrepreneurship Team in Jiangsu Province, China, the Canadian Program on Energy Research and Development, and the Canadian World Class Tanker Safety Service Program.

  17. The clustering of baryonic matter. II: halo model and hydrodynamic simulations

    SciTech Connect

    Fedeli, C.; Semboloni, E.; Velliscig, M.; Daalen, M. Van; Schaye, J.; Hoekstra, H. E-mail: sembolon@strw.leidenuniv.nl E-mail: daalen@strw.leidenuniv.nl E-mail: hoekstra@strw.leidenuniv.nl

    2014-08-01

    We recently developed a generalization of the halo model in order to describe the spatial clustering properties of each mass component in the Universe, including hot gas and stars. In this work we discuss the complementarity of the model with respect to a set of cosmological simulations including hydrodynamics of different kinds. We find that the mass fractions and density profiles measured in the simulations do not always succeed in reproducing the simulated matter power spectra, the reason being that the latter encode information from a much larger range in masses than that accessible to individually resolved structures. In other words, this halo model allows one to extract information on the growth of structures from the spatial clustering of matter, that is complementary with the information coming from the study of individual objects. We also find a number of directions for improvement of the present implementation of the model, depending on the specific application one has in mind. The most relevant one is the necessity for a scale dependence of the bias of the diffuse gas component, which will be interesting to test with future detections of the Warm-Hot Intergalactic Medium. This investigation confirms the possibility to gain information on the physics of galaxy and cluster formation by studying the clustering of mass, and our next work will consist of applying the halo model to use future high-precision cosmic shear surveys to this end.

  18. Polarization leakage in epoch of reionization windows - II. Primary beam model and direction-dependent calibration

    NASA Astrophysics Data System (ADS)

    Asad, K. M. B.; Koopmans, L. V. E.; Jelić, V.; Ghosh, A.; Abdalla, F. B.; Brentjens, M. A.; de Bruyn, A. G.; Ciardi, B.; Gehlot, B. K.; Iliev, I. T.; Mevius, M.; Pandey, V. N.; Yatawatta, S.; Zaroubi, S.

    2016-11-01

    Leakage of diffuse polarized emission into Stokes I caused by the polarized primary beam of the instrument might mimic the spectral structure of the 21-cm signal coming from the epoch of reionization (EoR) making their separation difficult. Therefore, understanding polarimetric performance of the antenna is crucial for a successful detection of the EoR signal. Here, we have calculated the accuracy of the nominal model beam of Low Frequency ARray (LOFAR) in predicting the leakage from Stokes I to Q, U by comparing them with the corresponding leakage of compact sources actually observed in the 3C 295 field. We have found that the model beam has errors of ≤10 per cent on the predicted levels of leakage of ˜1 per cent within the field of view, i.e. if the leakage is taken out perfectly using this model the leakage will reduce to 10-3 of the Stokes I flux. If similar levels of accuracy can be obtained in removing leakage from Stokes Q, U to I, we can say, based on the results of our previous paper, that the removal of this leakage using this beam model would ensure that the leakage is well below the expected EoR signal in almost the whole instrumental k-space of the cylindrical power spectrum. We have also shown here that direction-dependent calibration can remove instrumentally polarized compact sources, given an unpolarized sky model, very close to the local noise level.

  19. Universal tight binding model for chemical reactions in solution and at surfaces. II. Water

    NASA Astrophysics Data System (ADS)

    Lozovoi, A. Y.; Sheppard, T. J.; Pashov, D. L.; Kohanoff, J. J.; Paxton, A. T.

    2014-07-01

    A revised water model intended for use in condensed phase simulations in the framework of the self consistent polarizable ion tight binding theory is constructed. The model is applied to water monomer, dimer, hexamers, ice, and liquid, where it demonstrates good agreement with theoretical results obtained by more accurate methods, such as DFT and CCSD(T), and with experiment. In particular, the temperature dependence of the self diffusion coefficient in liquid water predicted by the model, closely reproduces experimental curves in the temperature interval between 230 K and 350 K. In addition, and in contrast to standard DFT, the model properly orders the relative densities of liquid water and ice. A notable, but inevitable, shortcoming of the model is underestimation of the static dielectric constant by a factor of two. We demonstrate that the description of inter and intramolecular forces embodied in the tight binding approximation in quantum mechanics leads to a number of valuable insights which can be missing from ab initio quantum chemistry and classical force fields. These include a discussion of the origin of the enhanced molecular electric dipole moment in the condensed phases, and a detailed explanation for the increase of coordination number in liquid water as a function of temperature and compared with ice—leading to insights into the anomalous expansion on freezing. The theory holds out the prospect of an understanding of the currently unexplained density maximum of water near the freezing point.

  20. Evaluating Impacts of CO2 Intrusion into an Unconsolidated Aquifer: II. Modeling Results

    SciTech Connect

    Zheng, Liange; Qafoku, Nikolla; Lawter, Amanda R.; Wang, Guohui; Shao, Hongbo; Brown, Christopher F.

    2015-08-04

    Large scale deployment of CO2 geological sequestration requires the assessment of the risks. One of the potential risks is the impact of CO2 leakage on shallow groundwater overlying the sequestration site.The understanding of the key chemical processes and parameters are critical for building numerical models for risk assessment. Model interpretation of laboratory and field tests is an effective way to enhance such understanding. Column experiments in which CO2 charged synthetic groundwater flowed through a column packed with material from High Plains aquifer was conducted and concentration of several constituents in the effluent water was analyzed. In this paper, reactive transport model was developed to interpret the observed concentration changes, attempting to shed light on the chemical reactions and key parameters that control the concentration changes of these constituents. The reactive transport model catches the concentration changes of pH, Ca, Mg, Ba, Sr, Cs, As and Pb fairly well. Calcite dissolution and Ca-driven cation exchange reactions are the major drivers for the concentration changes of Ca, Ba, Sr, and Cs. The pH-driven adsorption/desorption reactions lead to a concentration increase of As and Pb. The volume fraction and reactive surface area of calcite, CEC and sorption capacity are key parameters in determining the magnitude of concentration increase. Model results also show that the dissolution of calcite with Ba impurity could be an alternative explanation of the increase in Ba concentration.

  1. Minimal agent based model for financial markets II. Statistical properties of the linear and multiplicative dynamics

    NASA Astrophysics Data System (ADS)

    Alfi, V.; Cristelli, M.; Pietronero, L.; Zaccaria, A.

    2009-02-01

    We present a detailed study of the statistical properties of the Agent Based Model introduced in paper I [Eur. Phys. J. B, DOI: 10.1140/epjb/e2009-00028-4] and of its generalization to the multiplicative dynamics. The aim of the model is to consider the minimal elements for the understanding of the origin of the stylized facts and their self-organization. The key elements are fundamentalist agents, chartist agents, herding dynamics and price behavior. The first two elements correspond to the competition between stability and instability tendencies in the market. The herding behavior governs the possibility of the agents to change strategy and it is a crucial element of this class of models. We consider a linear approximation for the price dynamics which permits a simple interpretation of the model dynamics and, for many properties, it is possible to derive analytical results. The generalized non linear dynamics results to be extremely more sensible to the parameter space and much more difficult to analyze and control. The main results for the nature and self-organization of the stylized facts are, however, very similar in the two cases. The main peculiarity of the non linear dynamics is an enhancement of the fluctuations and a more marked evidence of the stylized facts. We will also discuss some modifications of the model to introduce more realistic elements with respect to the real markets.

  2. Continuous fixed bed adsorption of Cu(II) by halloysite nanotube-alginate hybrid beads: an experimental and modelling study.

    PubMed

    Wang, Yanyan; Zhang, Xiang; Wang, Qiuru; Zhang, Bing; Liu, Jindun

    2014-01-01

    We used natural resources of halloysite nanotubes and alginate to prepare a novel porous adsorption material of organic-inorganic hybrid beads. The adsorption behaviour of Cu(II) onto the hybrid beads was examined by a continuous fixed bed column adsorption experiment. Meanwhile, the factors affecting the adsorption capacity such as bed height, influent concentration and flow rate were investigated. The adsorption capacity (Q0) reached 74.13 mg/g when the initial inlet concentration was 100 mg/L with a bed height of 12 cm and flow rate of 3 ml/min. The Thomas model and bed-depth service time fitted well with the experimental data. In the regeneration experiment, the hybrid beads retained high adsorption capacity after three adsorption-desorption cycles. Over the whole study, the new hybrid beads showed excellent adsorption and regeneration properties as well as favourable stability. PMID:25051464

  3. Interaction of Iron II Complexes with B-DNA. Insights from Molecular Modeling, Spectroscopy and Cellular Biology.

    NASA Astrophysics Data System (ADS)

    Gattuso, Hugo; Duchanois, Thibaut; Besancenot, Vanessa; Barbieux, Claire; Assfeld, Xavier; Becuwe, Philippe; Gros, Philippe; Grandemange, Stephanie; Monari, Antonio

    2015-12-01

    We report the characterization of the interaction between B-DNA and three terpyridin iron II complexes. Relatively long time-scale molecular dynamics is used in order to characterize the stable interaction modes. By means of molecular modeling and UV-vis spectroscopy, we prove that they may lead to stable interactions with the DNA duplex. Furthermore, the presence of larger π-conjugated moieties also leads to the appearance of intercalation binding mode. Non-covalent stabilizing interactions between the iron complexes and the DNA are also characterized and evidenced by the analysis of the gradient of the electronic density. Finally, the structural deformations induced on the DNA in the different binding modes are also evidenced. The synthesis and chemical characterization of the three complexes is reported, as well as their absorption spectra in presence of DNA duplexes to prove the interaction with DNA. Finally, their effects on human cell cultures have also been evidenced to further enlighten their biological effects.

  4. Mechanisms of aberrant organization of growth plates in conditional transgenic mouse model of spondyloepiphyseal dysplasia associated with the R992C substitution in collagen II.

    PubMed

    Arita, Machiko; Fertala, Jolanta; Hou, Cheryl; Steplewski, Andrzej; Fertala, Andrzej

    2015-01-01

    Mutations in collagen II, a main structural protein of cartilage, are associated with various forms of spondyloepiphyseal dysplasia (SED), whose main features include aberrations of linear growth. Here, we analyzed the pathomechanisms responsible for growth alterations in transgenic mice with conditional expression of the R992C collagen II mutation. Specifically, we studied the alterations of the growth plates of mutant mice in which chondrocytes lacked their typical columnar arrangement. Our studies demonstrated that chondrocytes expressing the thermolabile R992C mutant collagen II molecules endured endoplasmic reticulum stress, had atypical polarization, and had reduced proliferation. Moreover, we demonstrated aberrant organization and morphology of primary cilia. Analyses of the extracellular collagenous deposits in mice expressing the R992C mutant collagen II molecules indicated their poor formation and distribution. By contrast, transgenic mice expressing wild-type collagen II and mice in which the expression of the transgene encoding the R992C collagen II was switched off were characterized by normal growth, and the morphology of their growth plates was correct. Our study with the use of a conditional mouse SED model not only indicates a direct relation between the observed aberration of skeletal tissues and the presence of mutant collagen II, but also identifies cellular and matrix elements of the pathomechanism of SED.

  5. Recent developments in modeling of hot rolling processes: Part II - Applications

    NASA Astrophysics Data System (ADS)

    Hirt, Gerhard; Bambach, Markus; Seuren, Simon; Henke, Thomas; Lohmar, Johannes

    2013-05-01

    This publication gives a short overview of current developments in modeling and simulation of hot rolling processes of metals at the Institute of Metal Forming of RWTH Aachen University. It is based on the fundamentals treated in Part I also contained in this conference issue. It features applications in the field of fast on-line models, where a fast multi-stage rolling model and an analytical approach for predicting the through-thickness shear distribution are presented. In addition, a new concept for sensitivity analysis by automatic differentiation is introduced and discussed. Finally, applications of rolling simulations in the field of integrated computational materials engineering are presented with a focus on TWIP and linepipe steels as well as aluminum.

  6. International Space Station Human Behavior and Performance Competency Model: Volume II

    NASA Technical Reports Server (NTRS)

    Schmidt, Lacey

    2008-01-01

    This document further defines the behavioral markers identified in the document "Human Behavior and Performance Competency Model" Vol. I. The Human Behavior and Performance (HBP) competencies were recommended as requirements to participate in international long duration missions, and form the basis for determining the HBP training curriculum for long duration crewmembers. This document provides details, examples, knowledge areas, and affective skills to support the use of the HBP competencies in training and evaluation. This document lists examples and details specific to HBP competencies required of astronauts/cosmonauts who participate in ISS expedition and other international long-duration missions. Please note that this model does not encompass all competencies required. While technical competencies are critical for crewmembers, they are beyond the scope of this document. Additionally, the competencies in this model (and subsequent objectives) are not intended to limit the internal activities or training programs of any international partner.

  7. Made-to-measure galaxy models - II. Elliptical and lenticular galaxies

    NASA Astrophysics Data System (ADS)

    Long, R. J.; Mao, Shude

    2012-04-01

    We take a sample of 24 elliptical and lenticular galaxies previously analysed by the SAURON project using three integral dynamical models created with Schwarzschild method, and re-analyse them using the made-to-measure (M2M) method of dynamical modelling. We obtain good agreement between the two methods in determining the dynamical mass-to-light ratios (M/L values) for the galaxies with over 80 per cent of ratios differing by <10 per cent and over 95 per cent differing by <20 per cent. We show that ?. For the global velocity dispersion anisotropy parameter δ, we find similar values but with fewer of the M2M models tangentially anisotropic by comparison with their SAURON Schwarzschild counterparts. Our investigation is the largest comparative application of the M2M method to date.

  8. Modeling Contamination Migration on the Chandra X-ray Observatory II

    NASA Technical Reports Server (NTRS)

    O'Dell, Steve; Swartz, Doug; Tice, Neil; Plucinsky, Paul; Grant, Catherine; Marshall, Herman; Vikhlinin, Alexey

    2013-01-01

    During its first 14 years of operation, the cold (about -60degC) optical blocking filter of the Advanced CCD Imaging Spectrometer (ACIS), aboard the Chandra X-ray Observatory, has accumulated a growing layer of molecular contamination that attenuates low-energy x rays. Over the past few years, the accumulation rate, spatial distribution, and composition may have changed, perhaps partially related to changes in the operating temperature of the ACIS housing. This evolution of the accumulation of the molecular contamination has motivated further analysis of contamination migration on the Chandra X-ray Observatory, particularly within and near the ACIS cavity. To this end, the current study employs a higher-fidelity geometric model of the ACIS cavity, detailed thermal modeling based upon monitored temperature data, and an accordingly refined model of the molecular transport.

  9. Fluctuating currents in stochastic thermodynamics. II. Energy conversion and nonequilibrium response in kinesin models.

    PubMed

    Altaner, Bernhard; Wachtel, Artur; Vollmer, Jürgen

    2015-10-01

    Unlike macroscopic engines, the molecular machinery of living cells is strongly affected by fluctuations. Stochastic thermodynamics uses Markovian jump processes to model the random transitions between the chemical and configurational states of these biological macromolecules. A recently developed theoretical framework [A. Wachtel, J. Vollmer, and B. Altaner, Phys. Rev. E 92, 042132 (2015)] provides a simple algorithm for the determination of macroscopic currents and correlation integrals of arbitrary fluctuating currents. Here we use it to discuss energy conversion and nonequilibrium response in different models for the molecular motor kinesin. Methodologically, our results demonstrate the effectiveness of the algorithm in dealing with parameter-dependent stochastic models. For the concrete biophysical problem our results reveal two interesting features in experimentally accessible parameter regions: the validity of a nonequilibrium Green-Kubo relation at mechanical stalling as well as a negative differential mobility for superstalling forces.

  10. Three-dimensional modeling of diesel engine intake flow, combustion and emissions-II

    SciTech Connect

    Reitz, R.D.; Rutland, C.J.

    1993-09-01

    A three-dimensional computer code, KIVA, is being modified to include state-of-the-art submodels for diesel engine flow and combustion. Improved and/or new submodels which have already been implemented and previously reported are: Wall heat transfer with unsteadiness and compressibility, laminar-turbulent characteristic time combustion with unburned HC and Zeldo`vich NO{sub x}, and spray/wall impingement with rebounding and sliding drops. Progress on the implementation of improved spray drop drag and drop breakup models, the formulation and testing of a multistep kinetics ignition model and preliminary soot modeling results are described in this report. In addition, the use of a block structured version of KIVA to model the intake flow process is described. A grid generation scheme has been developed for modeling realistic (complex) engine geometries, and computations have been made of intake flow in the ports and combustion chamber of a two-intake-valve engine. The research also involves the use of the code to assess the effects of subprocesses on diesel engine performance. The accuracy of the predictions is being tested by comparisons with engine experiments. To date, comparisons have been made with measured engine cylinder pressure, temperature and heat flux data, and the model results are in good agreement with the experiments. Work is in progress that will allow validation of in-cylinder flow and soot formation predictions. An engine test facility is described that is being used to provide the needed validation data. Test results have been obtained showing the effect of injection rate and split injections on engine performance and emissions.

  11. Enthalpy-Based Thermal Evolution of Loops: II. Improvements to the Model

    NASA Technical Reports Server (NTRS)

    Cargill, P. J.; Bradshaw, S. J.; Klimchuk, J. A.

    2011-01-01

    This paper further develops the zero-dimensional (0D) hydrodynamic coronal loop model "Enthalpy-based Thermal Evolution of Loops" (EBTEL) originally proposed by Klimchuk et al (2008), which studies the plasma response to evolving coronal heating. It has typically been applied to impulsive heating events. The basis of EBTEL is the modelling of mass exchange between the corona and transition region and chromosphere in response to heating variations, with the key parameter being the ratio of transition region to coronal radiation. We develop new models for this parameter that now include gravitational stratification and a physically motivated approach to radiative cooling. A number of examples are presented, including nanoflares in short and long loops, and a small flare. It is found that while the evolution of the loop temperature is rather insensitive to the details of the model, accurate tracking of the density requires the inclusion of our new features. In particular, we are able to now obtain highly over-dense loops in the late cooling phase and decreases to the coronal density arising due to stratification. The 0D results are compared to a 1D hydro code (Hydrad). The agreement is acceptable, with the exception of the flare case where some versions of Hydrad can give significantly lower densities. This is attributed to the method used to model the chromosphere in a flare. EBTEL is suitable for general use as a tool for (a) quick-look results of loop evolution in response to a given heating function and (b) situations where the modelling of hundreds or thousands of elemental loops is needed. A single run takes a few seconds on a contemporary laptop.

  12. Surface complexation modeling of Cu(II) adsorption on mixtures of hydrous ferric oxide and kaolinite

    PubMed Central

    Lund, Tracy J; Koretsky, Carla M; Landry, Christopher J; Schaller, Melinda S; Das, Soumya

    2008-01-01

    Background The application of surface complexation models (SCMs) to natural sediments and soils is hindered by a lack of consistent models and data for large suites of metals and minerals of interest. Furthermore, the surface complexation approach has mostly been developed and tested for single solid systems. Few studies have extended the SCM approach to systems containing multiple solids. Results Cu adsorption was measured on pure hydrous ferric oxide (HFO), pure kaolinite (from two sources) and in systems containing mixtures of HFO and kaolinite over a wide range of pH, ionic strength, sorbate/sorbent ratios and, for the mixed solid systems, using a range of kaolinite/HFO ratios. Cu adsorption data measured for the HFO and kaolinite systems was used to derive diffuse layer surface complexation models (DLMs) describing Cu adsorption. Cu adsorption on HFO is reasonably well described using a 1-site or 2-site DLM. Adsorption of Cu on kaolinite could be described using a simple 1-site DLM with formation of a monodentate Cu complex on a variable charge surface site. However, for consistency with models derived for weaker sorbing cations, a 2-site DLM with a variable charge and a permanent charge site was also developed. Conclusion Component additivity predictions of speciation in mixed mineral systems based on DLM parameters derived for the pure mineral systems were in good agreement with measured data. Discrepancies between the model predictions and measured data were similar to those observed for the calibrated pure mineral systems. The results suggest that quantifying specific interactions between HFO and kaolinite in speciation models may not be necessary. However, before the component additivity approach can be applied to natural sediments and soils, the effects of aging must be further studied and methods must be developed to estimate reactive surface areas of solid constituents in natural samples. PMID:18783619

  13. Contact of clay-liner materials with acidic tailings. II. Chemical modeling

    SciTech Connect

    Peterson, S.R.; Krupka, K.M.

    1981-09-01

    The ion speciation-solubility model WATEQ3 was used to model original aqueous solutions and solutions resulting from liner materials contacted with uranium mill tailings, synthetic mill tailings or H/sub 2/SO/sub 4/. The modeling results indicate solution species which are in apparent equilibrium with respect to particular solids. These solids provide potential solubility controls for their corresponding dissolved constituents. The disequilibrium indices computed by WATEQ3 indicate amorphic Fe(OH)/sub 3/(A), Al0HO/sub 4/, alunite (KA1/sub 3/(SO/sub 4/)/sub 2/(OH)/sub 6/), gypsum (CaSO/sub 4/ . 2H/sub 2/O), celestite (SrSO/sub 4/), anglesite (PbSO/sub 4/) and MnHPO/sub 4/ may have precipitated in the contacted liner materials and may also provide solubility controls for their dissolved constituents. The disequilibrium indices also show that the solutions resulting from the interaction of Highland Mill tailings are oversaturated with K-, H-, and Na-jarosites ((K,H,Na)Fe/sub 3/(SO/sub 4/)/sub 2/(OH)/sub 6/). Because jarosite has been identified by x-ray diffraction as a precipitate in these reacted liner materials, it would appear that there is a kinetic barrier which prohibits jarosite from being an effective solubility control. Results of this study also show that the solubilities of many solid phases were pH dependent. This exploratory use of geochemical modeling has demonstrated its capability to test solubility hypotheses for clay liners reacted with tailings solutions and to guide the analyses of important constituents and parameters for these solutions. Geochemical modeling can be used, in parallel with characterization techniques for the solid phases, to support the presence of the solid phase and to guide the search for further solid phases. Geochemical modeling is also an effective tool in delineating the chemical causes for changes in permeability of liner materials.

  14. Interaction of a Ni(II) tetraazaannulene complex with elongated fullerenes as simple models for carbon nanotubes.

    PubMed

    Henao-Holguín, Laura Verónica; Basiuk, Vladimir A

    2015-06-01

    Nickel(II) complex of 5,14-dihydro-6,8,15,17-tetramethyldibenzo[b,i][1,4,8,11] tetraazacyclotetradecine (NiTMTAA), which can be employed for noncovalent functionalization of carbon nanotubes (CNTs), represents a more complex and interesting case in terms of structure of the resulting nanohybrids, as compared to the related materials functionalized with porphyrins and phthalocyanines. Due to its saddle shape, the NiTMTAA molecule adsorbed can adopt different, energetically non-equivalent orientations with respect to CNT, depending on whether CH3 or C6H4 groups contact the latter. The main goal of the present work was to provide information on the interactions of NiTMTAA with simple single-walled CNT (SWNT) models accessible for dispersion-corrected DFT calculations. For reasons of comparison, we employed three such functionals: M06-2X and LC-BLYP as implemented in Gaussian 09 package, and PBE-G as implemented in Materials Studio 6.0. In order to roughly estimate the effect of nanotube chirality on the interaction strenght, we considered two short closed-end SWNT models (also referred to as 'elongated fullerenes'), one armchair and one zigzag, derived from C60 and C80 hemispheres. In addition, we calculated similar complexes with C60, as well as I h and D 5h isomers of C80. The results were analyzed in terms of optimized geometries, formation energies, HOMO-LUMO gap energies, and intermolecular separations. Graphical Abstract Interaction of Ni(II) tetraazaannulene complex with elongated fullerenes.

  15. A mathematical model of ethanol fermentation from cheese whey. II. Simulation and comparison with experimental data

    SciTech Connect

    Wang, Chen-Jen; Bajpai, R.K.

    1997-12-31

    A cybernetic model for microbial growth on mixed substrates was used to simulate the anaerobic fermentation of cheese whey and multiple sugars in semisynthetic media by Kluyveromyces marxianus CBS 397. The model simulations quite successfully predicted the observed behavior in batch and during transients in continuous operation, in single-substrate systems as well as in media involving multiple substrates, and in semisynthetic and reconstituted cheese whey solutions. The results of simulations and their comparison with the experimental data are presented. 7 refs., 11 figs., 2 tabs.

  16. The Macroscopic Entrainment Processes of Simulated Cumulus Ensemble. Part II: Testing the Entraining-Plume Model.

    NASA Astrophysics Data System (ADS)

    Lin, Chichung; Arakawa, Akio

    1997-04-01

    According to Part I of this paper, it seems that ignoring the contribution from descendent cloud air in a cloud model for cumulus parameterization (CMCP), such as the spectral cumulus ensemble model in the Arakawa-Schubert parameterization, is an acceptable simplification for tropical deep convection. Since each subensemble in the spectral cumulus ensemble model is formally analogous to an entraining plume, the latter is examined using the simulated data from a cloud-resolving model (CRM). The authors first follow the analysis procedure of Warner. With the data from a nonprecipitating experiment, the authors show that the entraining-plume model cannot simultaneously predict the mean liquid water profile and cloud top height of the clouds simulated by the CRM. However, the mean properties of active elements of clouds, which are characterized by strong updrafts, can be described by an entraining plume of similar top height.With the data from a precipitating experiment, the authors examine the spectral cumulus ensemble model using the Paluch diagram. It is found that the spectral cumulus ensemble model appears adequate if different types of clouds in the spectrum are interpreted as subcloud elements with different entrainment characteristics. The resolved internal structure of clouds can thus be viewed as a manifestation of a cloud spectrum. To further investigate whether the fractional rate of entrainment is an appropriate parameter for characterizing cloud types in the spectral cumulus ensemble model, the authors stratify the simulated saturated updrafts (subcloud elements) into different types according to their eventual heights and calculate the cloud mass flux and mean moist static energy for each type. Entrainment characteristics are then inferred through the cloud mass flux and in-cloud moist static energy. It is found that different types of subcloud elements have distinguishable thermodynamic properties and entrainment characteristics. However, for each cloud

  17. [Succession caused by beaver (Castor fiber L.) life activity: II. A refined Markov model].

    PubMed

    Logofet; Evstigneev, O I; Aleinikov, A A; Morozova, A O

    2015-01-01

    The refined Markov model of cyclic zoogenic successions caused by beaver (Castor fiber L.) life activity represents a discrete chain of the following six states: flooded forest, swamped forest, pond, grassy swamp, shrubby swamp, and wet forest, which correspond to certain stages of succession. Those stages are defined, and a conceptual scheme of probable transitions between them for one time step is constructed from the knowledge of beaver behaviour in small river floodplains of "Bryanskii Les" Reserve. We calibrated the corresponding matrix of transition probabilities according to the optimization principle: minimizing differences between the model outcome and reality; the model generates a distribution of relative areas corresponding to the stages of succession, that has to be compared to those gained from case studies in the Reserve during 2002-2006. The time step is chosen to equal 2 years, and the first-step data in the sum of differences are given various weights, w (between 0 and 1). The value of w = 0.2 is selected due to its optimality and for some additional reasons. By the formulae of finite homogeneous Markov chain theory, we obtained the main results of the calibrated model, namely, a steady-state distribution of stage areas, indexes of cyclicity, and the mean durations (M(j)) of succession stages. The results of calibration give an objective quantitative nature to the expert knowledge of the course of succession and get a proper interpretation. The 2010 data, which are not involved in the calibration procedure, enabled assessing the quality of prediction by the homogeneous model in short-term (from the 2006 situation): the error of model area distribution relative to the distribution observed in 2010 falls into the range of 9-17%, the best prognosis being given by the least optimal matrices (rejected values of w). This indicates a formally heterogeneous nature of succession processes in time. Thus, the refined version of the homogeneous Markov chain

  18. Three-dimensional modeling of ionized gas. II. Spectral energy distributions of massive and very massive stars in stationary and time-dependent modeling of the ionization of metals in H II regions

    NASA Astrophysics Data System (ADS)

    Weber, J. A.; Pauldrach, A. W. A.; Hoffmann, T. L.

    2015-11-01

    Context. H II regions play a crucial role in the measurement of the chemical composition of the interstellar medium and provide fundamental data about element abundances that constrain models of galactic chemical evolution. Discrepancies that still exist between observed emission line strengths and those predicted by nebular models can be partly attributed to the spectral energy distributions (SEDs) of the sources of ionizing radiation used in the models as well as to simplifying assumptions made in nebular modeling. Aims: One of the main influences on the nebular spectra is the metallicity, both nebular and stellar, which shows large variations even among nearby galaxies. Although nebular modeling often involves testing of different nebular metallicities against their influence on the predicted spectra, adequate grids of stellar atmospheres and realistic SEDs for different metallicities are still lacking. This is unfortunate because the influence of stellar metallicity on nebular line strength ratios, via its effect on the SEDs, is of similar importance as variations in the nebular metallicity. To overcome this deficiency we have computed a grid of model atmosphere SEDs for massive and very massive O-type stars covering a range of metallicities from significantly subsolar (0.1 Z⊙) to supersolar (2 Z⊙). Methods: The SEDs have been computed using a state-of-the-art model atmosphere code that takes into account the attenuation of the ionizing flux by the spectral lines of all important elements and the hydrodynamics of the radiatively driven winds and their influence on the SEDs. For the assessment of the SEDs in nebular simulations we have developed a (heretofore not available) 3D radiative transfer code that includes a time-dependent treatment of the metal ionization. Results: Using the SEDs in both 1D and 3D nebular models we explore the relative influence of stellar metallicity, gas metallicity, and inhomogeneity of the gas on the nebular ionization structure

  19. A New Look at Stratospheric Sudden Warmings. Part II: Evaluation of Numerical Model Simulations

    NASA Technical Reports Server (NTRS)

    Charlton, Andrew J.; Polvani, Lorenza M.; Perlwitz, Judith; Sassi, Fabrizio; Manzini, Elisa; Shibata, Kiyotaka; Pawson, Steven; Nielsen, J. Eric; Rind, David

    2007-01-01

    The simulation of major midwinter stratospheric sudden warmings (SSWs) in six stratosphere-resolving general circulation models (GCMs) is examined. The GCMs are compared to a new climatology of SSWs, based on the dynamical characteristics of the events. First, the number, type, and temporal distribution of SSW events are evaluated. Most of the models show a lower frequency of SSW events than the climatology, which has a mean frequency of 6.0 SSWs per decade. Statistical tests show that three of the six models produce significantly fewer SSWs than the climatology, between 1.0 and 2.6 SSWs per decade. Second, four process-based diagnostics are calculated for all of the SSW events in each model. It is found that SSWs in the GCMs compare favorably with dynamical benchmarks for SSW established in the first part of the study. These results indicate that GCMs are capable of quite accurately simulating the dynamics required to produce SSWs, but with lower frequency than the climatology. Further dynamical diagnostics hint that, in at least one case, this is due to a lack of meridional heat flux in the lower stratosphere. Even though the SSWs simulated by most GCMs are dynamically realistic when compared to the NCEP-NCAR reanalysis, the reasons for the relative paucity of SSWs in GCMs remains an important and open question.

  20. A General Pressure Gradient Formulation for Ocean Models - Part II: Energy, Momentum, and Bottom Torque Consistency

    NASA Technical Reports Server (NTRS)

    Song, Y.; Wright, D.

    1998-01-01

    A formulation of the pressure gradient force for use in models with topography-following coordinates is proposed and diagnostically analyzed by Song. We investigate numerical consistency with respect to global energy conservation, depth-integrated momentum changes, and the represent of the bottom pressure torque.

  1. The Raspberry model for hydrodynamic interactions revisited. II. The effect of confinement

    NASA Astrophysics Data System (ADS)

    de Graaf, Joost; Peter, Toni; Fischer, Lukas P.; Holm, Christian

    2015-08-01

    The so-called "raspberry" model refers to the hybrid lattice-Boltzmann (LB) and Langevin molecular dynamics schemes for simulating the dynamics of suspensions of colloidal particles, originally developed by Lobaskin and Dünweg [New J. Phys. 6, 54 (2004)], wherein discrete surface points are used to achieve fluid-particle coupling. In this paper, we present a follow up to our study of the effectiveness of the raspberry model in reproducing hydrodynamic interactions in the Stokes regime for spheres arranged in a simple-cubic crystal [Fischer et al., J. Chem. Phys. 143, 084107 (2015)]. Here, we consider the accuracy with which the raspberry model is able to reproduce such interactions for particles confined between two parallel plates. To this end, we compare our LB simulation results to established theoretical expressions and finite-element calculations. We show that there is a discrepancy between the translational and rotational mobilities when only surface coupling points are used, as also found in Part I of our joint publication. We demonstrate that adding internal coupling points to the raspberry can be used to correct said discrepancy in confining geometries as well. Finally, we show that the raspberry model accurately reproduces hydrodynamic interactions between a spherical colloid and planar walls up to roughly one LB lattice spacing.

  2. Interstellar Neutral Helium in the Heliosphere from IBEX Observations. II. The Warsaw Test Particle Model (WTPM)

    NASA Astrophysics Data System (ADS)

    Sokół, J. M.; Kubiak, M. A.; Bzowski, M.; Swaczyna, P.

    2015-10-01

    We have developed a refined and optimized version of the Warsaw Test Particle Model of interstellar neutral gas in the heliosphere, specially tailored for analysis of IBEX-Lo observations. The former version of the model was used in the analysis of neutral He observed by IBEX that resulted in an unexpected conclusion that the interstellar neutral He flow vector was different than previously thought and that a new population of neutral He, dubbed the Warm Breeze, exists in the heliosphere. It was also used in the reanalysis of Ulysses observations that confirmed the original findings on the flow vector, but suggested a significantly higher temperature. The present version of the model has two strains targeted for different applications, based on an identical paradigm, but differing in the implementation and in the treatment of ionization losses. We present the model in detail and discuss numerous effects related to the measurement process that potentially modify the resulting flux of ISN He observed by IBEX, and identify those of them that should not be omitted in the simulations to avoid biasing the results. This paper is part of a coordinated series of papers presenting the current state of analysis of IBEX-Lo observations of ISN He. Details of the analysis method are presented by Swaczyna et al. and results of the analysis are presented by Bzowski et al.

  3. Knowledge representation and qualitative simulation of salmon redd functioning. Part II: qualitative model of redds.

    PubMed

    Guerrin, F; Dumas, J

    2001-02-01

    This paper describes a qualitative model of the functioning of salmon redds (spawning areas of salmon) and its impact on mortality rates of early stages. For this, we use Qsim, a qualitative simulator, which appeared adequate for representing available qualitative knowledge of freshwater ecology experts (see Part I of this paper). Since the number of relevant variables was relatively large, it appeared necessary to decompose the model into two parts, corresponding to processes occurring at separate time-scales. A qualitative clock allows us to submit the simulation of salmon developmental stages to the calculation of accumulated daily temperatures (degree-days), according to the clock ticks and a water temperature regime set by the user. Therefore, this introduces some way of real-time dating and duration in a purely qualitative model. Simulating both sub-models, either separately or by means of alternate transitions, allows us to generate the evolutions of variables of interest, such as the mortality rates according to two factors (flow of oxygenated water and plugging of gravel interstices near the bed surface), under various scenarios. PMID:11267738

  4. The Rossby Centre Regional Atmospheric Climate Model part II: application to the Arctic climate.

    PubMed

    Jones, Colin G; Wyser, Klaus; Ullerstig, Anders; Willén, Ulrika

    2004-06-01

    The Rossby Centre regional climate model (RCA2) has been integrated over the Arctic Ocean as part of the international ARCMIP project. Results have been compared to observations derived from the SHEBA data set. The standard RCA2 model overpredicts cloud cover and downwelling longwave radiation, during the Arctic winter. This error was improved by introducing a new cloud parameterization, which significantly improves the annual cycle of cloud cover. Compensating biases between clear sky downwelling longwave radiation and longwave radiation emitted from cloud base were identified. Modifications have been introduced to the model radiation scheme that more accurately treat solar radiation interaction with ice crystals. This leads to a more realistic representation of cloud-solar radiation interaction. The clear sky portion of the model radiation code transmits too much solar radiation through the atmosphere, producing a positive bias at the top of the frequent boundary layer clouds. A realistic treatment of the temporally evolving albedo, of both sea-ice and snow, appears crucial for an accurate simulation of the net surface energy budget. Likewise, inclusion of a prognostic snow-surface temperature seems necessary, to accurately simulate near-surface thermodynamic processes in the Arctic.

  5. System for the Analysis of Global Energy Markets - Vol. II, Model Documentation

    EIA Publications

    2003-01-01

    The second volume provides a data implementation guide that lists all naming conventions and model constraints. In addition, Volume 1 has two appendixes that provide a schematic of the System for the Analysis of Global Energy Markets (SAGE) structure and a listing of the source code, respectively.

  6. Forward Modeling of Standing Kink Modes in Coronal Loops. II. Applications

    NASA Astrophysics Data System (ADS)

    Yuan, Ding; Van Doorsselaere, Tom

    2016-04-01

    Magnetohydrodynamic waves are believed to play a significant role in coronal heating, and could be used for remote diagnostics of solar plasma. Both the heating and diagnostic applications rely on a correct inversion (or backward modeling) of the observables into the thermal and magnetic structures of the plasma. However, due to the limited availability of observables, this is an ill-posed issue. Forward modeling is designed to establish a plausible mapping of plasma structuring into observables. In this study, we set up forward models of standing kink modes in coronal loops and simulate optically thin emissions in the extreme ultraviolet bandpasses, and then adjust plasma parameters and viewing angles to match three events of transverse loop oscillations observed by the Solar Dynamics Observatory/Atmospheric Imaging Assembly. We demonstrate that forward models could be effectively used to identify the oscillation overtone and polarization, to reproduce the general profile of oscillation amplitude and phase, and to predict multiple harmonic periodicities in the associated emission intensity and loop width variation.

  7. Primitive models of chemical association. II. Polymerization into flexible chain molecules of prescribed length

    SciTech Connect

    Kalyuzhnyi, Y.V. |; Lin, C.; Stell, G.

    1997-02-01

    The structural properties of the totally flexible sticky two-point (S2P) model for polymerization into chain molecules of fixed length are studied. The model is represented by an n-component mixture of hard spheres of the same size with species 2,{hor_ellipsis},n{minus}1 bearing two attractive sticky sites A and B, randomly distributed on the surface. The hard spheres of species 1 and n have only one site per particle, site B for species 1 and site A for species n. Due to the specific choice for the attractive interaction, which is present only between site B of the particles of species a and site A of the particles of species a+1, this version of the S2P model represents an associating fluid that polymerizes into freely jointed tangent hard-sphere chain molecules. The correlation functions of this model are studied at all degrees of association using a recently obtained general solution of the polymer Percus{endash}Yevick (PPY) approximation [Yu. Kalyuzhnyi and P. Cummings, J. Chem. Phys. {bold 103}, 3265 (1995)]. Comparison of the results of the present theory in the complete association limit with corresponding computer-simulation results and results of other theories is presented and discussed. The complete-association results constitute a quantitatively successful theory of the mean monomer{endash}monomer distribution functions for n{le}16 but for n=50 these functions are no longer quantitatively accurate. {copyright} {ital 1997 American Institute of Physics.}

  8. Residential Programming for Mentally Retarded Persons. Volume II, A Developmental Model for Residential Services.

    ERIC Educational Resources Information Center

    National Association for Retarded Children, Arlington, TX. South Central Regional Office.

    The second of a series of four booklets on residential programing for the mentally retarded (MR) presents a developmental model for residential services based on the premise that MR persons are capable of growth, development, and learning. Architectural factors, staff resistance and financial considerations are described as impediments to…

  9. The Raspberry model for hydrodynamic interactions revisited. II. The effect of confinement.

    PubMed

    de Graaf, Joost; Peter, Toni; Fischer, Lukas P; Holm, Christian

    2015-08-28

    The so-called "raspberry" model refers to the hybrid lattice-Boltzmann (LB) and Langevin molecular dynamics schemes for simulating the dynamics of suspensions of colloidal particles, originally developed by Lobaskin and Dünweg [New J. Phys. 6, 54 (2004)], wherein discrete surface points are used to achieve fluid-particle coupling. In this paper, we present a follow up to our study of the effectiveness of the raspberry model in reproducing hydrodynamic interactions in the Stokes regime for spheres arranged in a simple-cubic crystal [Fischer et al., J. Chem. Phys. 143, 084107 (2015)]. Here, we consider the accuracy with which the raspberry model is able to reproduce such interactions for particles confined between two parallel plates. To this end, we compare our LB simulation results to established theoretical expressions and finite-element calculations. We show that there is a discrepancy between the translational and rotational mobilities when only surface coupling points are used, as also found in Part I of our joint publication. We demonstrate that adding internal coupling points to the raspberry can be used to correct said discrepancy in confining geometries as well. Finally, we show that the raspberry model accurately reproduces hydrodynamic interactions between a spherical colloid and planar walls up to roughly one LB lattice spacing. PMID:26328819

  10. Characterisation and optimisation of flexible transfer lines for liquid helium. Part II: Thermohydraulic modelling

    NASA Astrophysics Data System (ADS)

    Dittmar, N.; Haberstroh, Ch.; Hesse, U.; Krzyzowski, M.

    2016-10-01

    In part one of this publication experimental results for a single-channel transfer line used at liquid helium (LHe) decant stations are presented. The transfer of LHe into mobile dewars is an unavoidable process since the places of storage and usage are generally located apart from each other. The experimental results have shown that reasonable amounts of LHe evaporate due to heat leak and pressure drop. Thus, generated helium cold gas has to be collected and reliquefied, demanding a huge amount of electrical energy. Although this transfer process is common in cryogenic laboratories, no existing code could be found to model it. Therefore, a thermohydraulic model has been developed to model the LHe flow at operating conditions using published heat transfer and pressure drop correlations. This paper covers the basic equations used to calculate heat transfer and pressure drop, as well as the validation of the thermohydraulic code, and its application within the optimisation process. The final transfer line design features reduced heat leak and pressure drop values based on a combined measurement and modelling campaign in the range of 0.112 < pin < 0.148 MPa, 190 < G < 450 kg/(m2 s), and 0.04 < xout < 0.12.

  11. Update: Validation, Edits, and Application Processing. Phase II and Error-Prone Model Report.

    ERIC Educational Resources Information Center

    Gray, Susan; And Others

    An update to the Validation, Edits, and Application Processing and Error-Prone Model Report (Section 1, July 3, 1980) is presented. The objective is to present the most current data obtained from the June 1980 Basic Educational Opportunity Grant applicant and recipient files and to determine whether the findings reported in Section 1 of the July…

  12. Complex permittivity model for time domain reflectometry soil water content sensing: II. Calibration

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Despite numerous applications of time domain reflectometry (TDR), serious difficulties in estimating accurate soil water contents under field conditions remain, especially in fine-textured soils. Our objectives were to calibrate a complex dielectric mixing model described by Schwartz et al. (this is...

  13. INTERSTELLAR NEUTRAL HELIUM IN THE HELIOSPHERE FROM IBEX OBSERVATIONS. II. THE WARSAW TEST PARTICLE MODEL (WTPM)

    SciTech Connect

    Sokół, J. M.; Kubiak, M. A.; Bzowski, M.; Swaczyna, P.

    2015-10-15

    We have developed a refined and optimized version of the Warsaw Test Particle Model of interstellar neutral gas in the heliosphere, specially tailored for analysis of IBEX-Lo observations. The former version of the model was used in the analysis of neutral He observed by IBEX that resulted in an unexpected conclusion that the interstellar neutral He flow vector was different than previously thought and that a new population of neutral He, dubbed the Warm Breeze, exists in the heliosphere. It was also used in the reanalysis of Ulysses observations that confirmed the original findings on the flow vector, but suggested a significantly higher temperature. The present version of the model has two strains targeted for different applications, based on an identical paradigm, but differing in the implementation and in the treatment of ionization losses. We present the model in detail and discuss numerous effects related to the measurement process that potentially modify the resulting flux of ISN He observed by IBEX, and identify those of them that should not be omitted in the simulations to avoid biasing the results. This paper is part of a coordinated series of papers presenting the current state of analysis of IBEX-Lo observations of ISN He. Details of the analysis method are presented by Swaczyna et al. and results of the analysis are presented by Bzowski et al.

  14. An engineering treatise on the CARE II dual mode and coverage models

    NASA Technical Reports Server (NTRS)

    1976-01-01

    A mathematical model used to calculate the reliability of any dual-mode, spare-switching computer system was described, and some illustrative examples were presented. The possibility of extending the resultant computer program further was also examined, enabling it, in particular, to accommodate computer configurations involving more than two modes of operation.

  15. ZERODUR for stressed mirror polishing II: improved modeling of the material behavior

    NASA Astrophysics Data System (ADS)

    Jedamzik, Ralf; Kunisch, Clemens; Westerhoff, Thomas; Müller, Ulrich; Daniel, Jay

    2012-09-01

    In the preceding part I of this paper stressed mirror polishing was stated as one of the processes assumed for the polishing of non-axisymmetric mirror blanks like those for the two ELT projects (the ESO E-ELT and the TMT). For this process it is important to have a precise knowledge of the elastic behavior of the glass ceramic mirror substrate materials. In reality glasses and glass ceramics do not react instantaneously to stresses at room temperature. This effect is called "delayed elasticity". It was shown that the delayed elasticity effect of ZERODUR is small in size (less than approximately 1% of the applied deformation) and fully reversible in time. A mathematical model on the relaxation of shear modulus and bulk modulus of ZERODUR has been introduced to predict the delayed elasticity at room temperature and different load cases. This second paper is focusing on an updated model approach with the target to improve the model prediction accuracy. The model results will be compared to measurements of the effect on a 1.5 m E-ELT mirror blank at L-3 Communications, Tinsley.

  16. The Etched Hourglass Nebula MyCn18: II A Spatio-Kinematic Model

    NASA Technical Reports Server (NTRS)

    Dayal, A.; Sahai, R.; Watson, A.; Trauger, J.; Burrows, C.; Stapelfeldt, K.; Gallagher, J.

    1999-01-01

    We have observed MyCn18, a young Planetary Nebulae with HST/WFPC2 and presented the observational results in an earlier paper. Here we present a detailed spatial/kinematical model of H alpha emission from the nebula.

  17. Modeling of Direct Detection Doppler Wind Lidar. II. The Fringe Imaging Technique.

    PubMed

    McKay, J A

    1998-09-20

    A simple analytic model is developed for the shot-noise-limited measurement precision of Doppler wind lidars based on the fringe imaging technique by use of either molecular or aerosol atmospheric backscatter. The model leads to etalon design parameters for an instrument optimized for precision. The ultimate measurement precision possible is two to four times the limit for a perfect, lossless receiver. The corresponding result for the double-edge Doppler analyzer was a ratio of 2.5, showing that the two methods are little different in this respect. For aerosol backscatter instruments, the wind speed dynamic range of the fringe imager is substantially greater than that for the edge detector. The etalon aperture needed to meet system etendue requirements is derived and shown to be approximately half that of each of the two etalons required by the double-edge technique. A comparison with more detailed modeling of fringe imaging Doppler-shift analyzers shows good agreement for the Rayleigh model and fair for the aerosol version, confirming the validity of this simpler technique for analyzer design and performance prediction. PMID:18286156

  18. Framework for a Quantitative Systemic Toxicity Model (FutureToxII)

    EPA Science Inventory

    EPA’s ToxCast program profiles the bioactivity of chemicals in a diverse set of ~700 high throughput screening (HTS) assays. In collaboration with L’Oreal, a quantitative model of systemic toxicity was developed using no effect levels (NEL) from ToxRefDB for 633 chemicals with HT...

  19. Atmospheric mercury in the Canadian Arctic. Part II: insight from modeling.

    PubMed

    Dastoor, Ashu; Ryzhkov, Andrew; Durnford, Dorothy; Lehnherr, Igor; Steffen, Alexandra; Morrison, Heather

    2015-03-15

    A review of mercury in the Canadian Arctic with a focus on field measurements is presented in part I (see Steffen et al., this issue). Here we provide insights into the dynamics of mercury in the Canadian Arctic from new and published mercury modeling studies using Environment Canada's mercury model. The model simulations presented in this study use global anthropogenic emissions of mercury for the period 1995-2005. The most recent modeling estimate of the net gain of mercury from the atmosphere to the Arctic Ocean is 75 Mg year(-1) and the net gain to the terrestrial ecosystems north of 66.5° is 42 Mg year(-1). Model based annual export of riverine mercury from North American, Russian and all Arctic watersheds to the Arctic Ocean are in the range of 2.8-5.6, 12.7-25.4 and 15.5-31.0 Mg year(-1), respectively. Analysis of long-range transport events of Hg at Alert and Little Fox Lake monitoring sites indicates that Asia contributes the most ambient Hg to the Canadian Arctic followed by contributions from North America, Russia, and Europe. The largest anthropogenic Hg deposition to the Canadian Arctic is from East Asia followed by Europe (and Russia), North America, and South Asia. An examination of temporal trends of Hg using the model suggests that changes in meteorology and changes in anthropogenic emissions equally contribute to the decrease in surface air elemental mercury concentrations in the Canadian Arctic with an overall decline of ~12% from 1990 to 2005. A slow increase in net deposition of Hg is found in the Canadian Arctic in response to changes in meteorology. Changes in snowpack and sea-ice characteristics and increase in precipitation in the Arctic related with climate change are found to be primary causes for the meteorology-related changes in air concentrations and deposition of Hg in the region. The model estimates that under the emissions reduction scenario of worldwide implementation of the best emission control technologies by 2020, mercury

  20. Nonlinear inversion for arbitrarily-oriented anisotropic models II: Inversion techniques

    NASA Astrophysics Data System (ADS)

    Bremner, P. M.; Panning, M. P.

    2011-12-01

    We present output models from inversion of a synthetic surface wave dataset. We implement new 3-D finite-frequency kernels, based on the Born approximation, to invert for upper mantle structure beneath western North America. The kernels are formulated based on a hexagonal symmetry with an arbitrary orientation. Numerical tests were performed to achieve a robust inversion scheme. Four synthetic input models were created, to include: isotropic, constant strength anisotropic, variable strength anisotropic, and both anisotropic and isotropic together. The reference model was a simplified version of PREM (dubbed PREM LIGHT) in which the crust and 220 km discontinuity have been removed. Output models from inversions of calculated synthetic data are compared against these input models to test for accurate reproduction of input model features, and the resolution of those features. The object of this phase of the study was to determine appropriate nonlinear inversion schemes that adequately recover the input models. The synthetic dataset consists of collected seismic waveforms of 126 earthquake mechanisms, of magnitude 6-7 from Dec 2006 to Feb 2009, from the IRIS database. Events were selected to correlate with USArray deployments, and to have as complete an azimuthal coverage as possible. The events occurred within a circular region of radius 150o centered about 44o lat, -110o lon (an arbitrary location within USArray coverage). Synthetic data were calculated utilizing a spectral element code (SEM) coupled to a normal mode solution. The mesh consists of a 3-D heterogeneous outer shell, representing the upper mantle above 450 km depth, coupled to a spherically symmetric inner sphere. From the synthetic dataset, multi-taper fundamental mode surface wave phase delay measurements are taken. The orthogonal 2.5π -prolate spheroidal wave function eigentapers (Slepian tapers) reduce noise biasing, and can provide error estimates in phase delay measurements. This study is a

  1. Cosmological Simulations of the Intergalactic Medium Evolution. II. Galaxy Model and Feedback

    NASA Astrophysics Data System (ADS)

    Côté, Benoit; Martel, Hugo; Drissen, Laurent

    2015-04-01

    We present a semi-analytical model designed to be included in large-scale cosmological simulations to treat the evolution of galaxies. The goal of this paper is to test our model to make sure that it behaves in a realistic manner. We consider galaxies with current stellar masses between {{10}6.54} and {{10}11.65} {{M}⊙ }. Our model includes radiative cooling, gas inflow, star formation, chemical enrichment, and stellar and AGN feedback. The evolution of each stellar population that forms in our model is individually followed in time by using stellar models found in the literature. Our stellar feedback prescription is based on the production of galactic outflows, which are powered by the mechanical energy (Energy-driven) and the radiative pressure (Momentum-driven). We implemented the physics of bubbles blown by stars to treat the feedback generated by mechanical energy. By keeping track of the energy gained and lost inside bubbles, we can compute the fraction of the stellar mechanical energy that is used to launch an outflow. Our model predicts that E-driven outflows dominate the evolution of low-mass galaxies with current stellar masses below {{10}10} {{M}⊙ }, whereas intermediate-mass galaxies with current stellar masses up to {{10}10.7} {{M}⊙ } are dominated by M-driven outflows. AGN feedback dominates the evolution of the most massive galaxies. With these three sources of feedback, we are able to reproduce the current observed stellar-to-dark-halo mass relation, as well as the current average stellar metallicity of galaxies. Outflows are very efficient in expelling metals out of galaxies, especially with E-driven outflows, which is consistent with the observed trend that metals are ejected more efficiently in low-mass galaxies. At the end of our simulations, a significant fraction of the metals produced by stars is located in the halos of galaxies. Metals can escape efficiently into the intergalactic medium for galaxies with current stellar masses below

  2. The Prevalence of Gas Outflows in Type 2 AGNs. II. 3D Biconical Outflow Models

    NASA Astrophysics Data System (ADS)

    Bae, Hyun-Jin; Woo, Jong-Hak

    2016-09-01

    We present 3D models of biconical outflows combined with a thin dust plane for investigating the physical properties of the ionized gas outflows and their effect on the observed gas kinematics in type 2 active galactic nuclei (AGNs). Using a set of input parameters, we construct a number of models in 3D and calculate the spatially integrated velocity and velocity dispersion for each model. We find that three primary parameters, i.e., intrinsic velocity, bicone inclination, and the amount of dust extinction, mainly determine the simulated velocity and velocity dispersion. Velocity dispersion increases as the intrinsic velocity or the bicone inclination increases, while velocity (i.e., velocity shifts with respect to systemic velocity) increases as the amount of dust extinction increases. Simulated emission-line profiles well reproduce the observed [O iii] line profiles, e.g., narrow core and broad wing components. By comparing model grids and Monte Carlo simulations with the observed [O iii] velocity-velocity dispersion distribution of ˜39,000 type 2 AGNs, we constrain the intrinsic velocity of gas outflows ranging from ˜500 to ˜1000 km s-1 for the majority of AGNs, and up to ˜1500-2000 km s-1 for extreme cases. The Monte Carlo simulations show that the number ratio of AGNs with negative [O iii] velocity to AGNs with positive [O iii] velocity correlates with the outflow opening angle, suggesting that outflows with higher intrinsic velocity tend to have wider opening angles. These results demonstrate the potential of our 3D models for studying the physical properties of gas outflows, applicable to various observations, including spatially integrated and resolved gas kinematics.

  3. Weighed scalar averaging in LTB dust models: part II. A formalism of exact perturbations

    NASA Astrophysics Data System (ADS)

    Sussman, Roberto A.

    2013-03-01

    We examine the exact perturbations that arise from the q-average formalism that was applied in the preceding article (part I) to Lemaître-Tolman-Bondi (LTB) models. By introducing an initial value parametrization, we show that all LTB scalars that take an FLRW ‘look-alike’ form (frequently used in the literature dealing with LTB models) follow as q-averages of covariant scalars that are common to FLRW models. These q-scalars determine for every averaging domain a unique FLRW background state through Darmois matching conditions at the domain boundary, though the definition of this background does not require an actual matching with an FLRW region (Swiss cheese-type models). Local perturbations describe the deviation from the FLRW background state through the local gradients of covariant scalars at the boundary of every comoving domain, while non-local perturbations do so in terms of the intuitive notion of a ‘contrast’ of local scalars with respect to FLRW reference values that emerge from q-averages assigned to the whole domain or the whole time slice in the asymptotic limit. We derive fluid flow evolution equations that completely determine the dynamics of the models in terms of the q-scalars and both types of perturbations. A rigorous formalism of exact spherical nonlinear perturbations is defined over the FLRW background state associated with the q-scalars, recovering the standard results of linear perturbation theory in the appropriate limit. We examine the notion of the amplitude and illustrate the differences between local and non-local perturbations by qualitative diagrams and through an example of a cosmic density void that follows from the numeric solution of the evolution equations.

  4. Aerosol cluster impact and break-up : II. Atomic and Cluster Scale Models.

    SciTech Connect

    Lechman, Jeremy B.; Takato, Yoichi

    2010-09-01

    Understanding the interaction of aerosol particle clusters/flocs with surfaces is an area of interest for a number of processes in chemical, pharmaceutical, and powder manufacturing as well as in steam-tube rupture in nuclear power plants. Developing predictive capabilities for these applications involves coupled phenomena on multiple length and timescales from the process macroscopic scale ({approx}1m) to the multi-cluster interaction scale (1mm-0.1m) to the single cluster scale ({approx}1000 - 10000 particles) to the particle scale (10nm-10{micro}m) interactions, and on down to the sub-particle, atomic scale interactions. The focus of this report is on the single cluster scale; although work directed toward developing better models of particle-particle interactions by considering sub-particle scale interactions and phenomena is also described. In particular, results of mesoscale (i.e., particle to single cluster scale) discrete element method (DEM) simulations for aerosol cluster impact with rigid walls are presented. The particle-particle interaction model is based on JKR adhesion theory and is implemented as an enhancement to the granular package in the LAMMPS code. The theory behind the model is outlined and preliminary results are shown. Additionally, as mentioned, results from atomistic classical molecular dynamics simulations are also described as a means of developing higher fidelity models of particle-particle interactions. Ultimately, the results from these and other studies at various scales must be collated to provide systems level models with accurate 'sub-grid' information for design, analysis and control of the underlying systems processes.

  5. EVOLVING STARBURST MODELING OF FAR-INFRARED/SUBMILLIMETER/MILLIMETER LINE EMISSION. II. APPLICATION TO M 82

    SciTech Connect

    Yao Lihong

    2009-11-01

    We present starburst models for far-infrared/sub-millimeter/millimeter line emission of molecular and atomic gas in an evolving starburst region, which is treated as an ensemble of noninteracting hot bubbles that drive spherical shells of swept-up gas into a surrounding uniform gas medium. These bubbles and shells are driven by stellar winds and supernovae within massive star clusters formed during an instantaneous starburst. The underlying stellar radiation from the evolving clusters affects the properties and structure of photodissociation regions (PDRs) in the shells, and hence the spectral energy distributions (SEDs) of the molecular and atomic line emission from these swept-up shells and the associated parent giant molecular clouds contain a signature of the stage of evolution of the starburst. The physical and chemical properties of the shells and their structure are computed using a simple, well-known similarity solution for the shell expansion, a stellar population synthesis code, and a time-dependent PDR chemistry model. The SEDs for several molecular and atomic lines ({sup 12}CO and its isotope {sup 13}CO, HCN, HCO{sup +}, C, O, and C{sup +}) are computed using a nonlocal thermodynamic equilibrium line radiative transfer model. By comparing our models with the available observed data of nearby infrared bright galaxies, especially M 82, we constrain the models and in the case of M 82, we provide estimates for the ages (5-6 Myr, 10 Myr) of recent starburst activity. We also derive a total H{sub 2} gas mass of approx(2-3.4) x 10{sup 8} M {sub sun} for the observed regions of the central 1 kpc starburst disk of M 82.

  6. The Prevalence of Gas Outflows in Type 2 AGNs. II. 3D Biconical Outflow Models

    NASA Astrophysics Data System (ADS)

    Bae, Hyun-Jin; Woo, Jong-Hak

    2016-09-01

    We present 3D models of biconical outflows combined with a thin dust plane for investigating the physical properties of the ionized gas outflows and their effect on the observed gas kinematics in type 2 active galactic nuclei (AGNs). Using a set of input parameters, we construct a number of models in 3D and calculate the spatially integrated velocity and velocity dispersion for each model. We find that three primary parameters, i.e., intrinsic velocity, bicone inclination, and the amount of dust extinction, mainly determine the simulated velocity and velocity dispersion. Velocity dispersion increases as the intrinsic velocity or the bicone inclination increases, while velocity (i.e., velocity shifts with respect to systemic velocity) increases as the amount of dust extinction increases. Simulated emission-line profiles well reproduce the observed [O iii] line profiles, e.g., narrow core and broad wing components. By comparing model grids and Monte Carlo simulations with the observed [O iii] velocity–velocity dispersion distribution of ∼39,000 type 2 AGNs, we constrain the intrinsic velocity of gas outflows ranging from ∼500 to ∼1000 km s‑1 for the majority of AGNs, and up to ∼1500–2000 km s‑1 for extreme cases. The Monte Carlo simulations show that the number ratio of AGNs with negative [O iii] velocity to AGNs with positive [O iii] velocity correlates with the outflow opening angle, suggesting that outflows with higher intrinsic velocity tend to have wider opening angles. These results demonstrate the potential of our 3D models for studying the physical properties of gas outflows, applicable to various observations, including spatially integrated and resolved gas kinematics.

  7. Phase II Transport Model of Corrective Action Unit 98: Frenchman Flat, Nevada Test Site, Nye County, Nevada, Revision 1

    SciTech Connect

    Gregg Ruskuaff

    2010-01-01

    This document, the Phase II Frenchman Flat transport report, presents the results of radionuclide transport simulations that incorporate groundwater radionuclide transport model statistical and structural uncertainty, and lead to forecasts of the contaminant boundary (CB) for a set of representative models from an ensemble of possible models. This work, as described in the Federal Facility Agreement and Consent Order (FFACO) Underground Test Area (UGTA) strategy (FFACO, 1996; amended 2010), forms an essential part of the technical basis for subsequent negotiation of the compliance boundary of the Frenchman Flat corrective action unit (CAU) by Nevada Division of Environmental Protection (NDEP) and National Nuclear Security Administration Nevada Site Office (NNSA/NSO). Underground nuclear testing via deep vertical shafts was conducted at the Nevada Test Site (NTS) from 1951 until 1992. The Frenchman Flat area, the subject of this report, was used for seven years, with 10 underground nuclear tests being conducted. The U.S. Department of Energy (DOE), NNSA/NSO initiated the UGTA Project to assess and evaluate the effects of underground nuclear tests on groundwater at the NTS and vicinity through the FFACO (1996, amended 2010). The processes that will be used to complete UGTA corrective actions are described in the “Corrective Action Strategy” in the FFACO Appendix VI, Revision No. 2 (February 20, 2008).

  8. Understanding shock dynamics in the inner heliosphere with modeling and Type II radio data: The 2010-04-03 event

    NASA Astrophysics Data System (ADS)

    Xie, H.; Odstrcil, D.; Mays, L.; St. Cyr, O. C.; Gopalswamy, N.; Cremades, H.

    2012-04-01

    The 2010 April 03 solar event was studied using observations from STEREO SECCHI, SOHO LASCO, and Wind kilometric Type II data (kmTII) combined with WSA-Cone-ENLIL model simulations performed at the Community Coordinated Modeling Center (CCMC). In particular, we identified the origin of the coronal mass ejection (CME) using STEREO EUVI and SOHO EIT images. A flux-rope model was fit to the SECCHI A and B, and LASCO images to determine the CME's direction, size, and actual speed. J-maps from STEREO COR2/HI-1/HI-2 and simulations from CCMC were used to study the formation and evolution of the shock in the inner heliosphere. In addition, we also studied the time-distance profile of the shock propagation from kmTII radio burst observations. The J-maps together with in-situ data from the Wind spacecraft provided an opportunity to validate the simulation results and the kmTII prediction. Here we report on a comparison of two methods of predicting interplanetary shock arrival time: the ENLIL model and the kmTII method; and investigate whether or not using the ENLIL model density improves the kmTII prediction. We found that the ENLIL model predicted the kinematics of shock evolution well. The shock arrival times (SAT) and linear-fit shock velocities in the ENLIL model agreed well with those measurements in the J-maps along both the CME leading edge and the Sun-Earth line. The ENLIL model also reproduced most of the large scale structures of the shock propagation and gave the SAT prediction at Earth with an error of ˜1 ± 7 hours. The kmTII method predicted the SAT at Earth with an error of ˜15 hours when using n0 = 4.16 cm-3, the ENLIL model plasma density near Earth; but it improved to ˜2 hours when using n0 = 6.64 cm-3, the model density near the CME leading edge at 1 AU.

  9. Observation and Modeling of the Solar Transition Region. II. Identification of New Classes of Solutions of Coronal Loop Models

    NASA Astrophysics Data System (ADS)

    Oluseyi, Hakeem M.; Walker, A. B. C., II; Santiago, David I.; Hoover, Richard B.; Barbee, Troy W., Jr.

    1999-12-01

    In the present work we undertake a study of the quasi-static loop model and the observational consequences of the various solutions found. We obtain the most general solutions consistent with certain initial conditions. Great care is exercised in choosing these conditions to be physically plausible (motivated by observations). We show that the assumptions of previous quasi-static loop models, such as the models of Rosner, Tucker, & Vaiana (RTV) and Veseckey, Antiochos, & Underwood, (VAU) are not necessarily valid for small loops at transition region temperatures. We find three general classes of solutions for the quasi-static loop model, which we denote radiation-dominated loops, conduction-dominated loops, and classical loops. These solutions are then compared with observations. Departures from the classical scaling law of RTV are found for the solutions obtained. It is shown that loops of the type that we model here can make a significant contribution to lower transition regions emission via thermal conduction from the upper transition region.

  10. A chemical kinetic model for NO sub x removal in an aqueous scrubber system using the additive Fe(II)ter dot EDTA

    SciTech Connect

    Mendelsohn, M.H.; Livengood, C.D.

    1992-01-01

    Addition of the metal chelate, ferrous{center dot} ethylenediaminetetraacetate anion (Fe(II){center dot}EDTA{sup 2{minus}}), has been shown to increase the amount of gaseous nitrogen oxides absorbed from a gas stream containing sulfur dioxide, where an aqueous scrubbing process is used to treat the gas. Recently, we published data on improved systems for NO{sub x} removal that incorporate an antioxidant and/or reducing agent (A/R) in the process along with the Fe(H){center dot}EDTA. The purpose of the A/R is to maintain the highest possible concentration of iron in the +2 form. The major mechanism for NO removal is believed to be the equilibrium reaction of Fe(II){center dot}EDTA with dissolved NO to form a Fe(II){center dot}EDTA{center dot}NO complex. It has been shown that both sulfite and bisulfite anions can react with Fe(II){center dot}EDTA{center dot}NO to regenerate Fe(II){center dot}EDTA and other products. In a complex system, other oxidation and reduction mechanisms are also possible. We have chosen, therefore, to approach this problem empirically by fitting our experimental data to a model containing at most three kinetic terms, chosen from among the following: a baseline removal rate, which is equivalent to the rate of reaction of Fe(II){center dot}EDTA with nitric oxide; a regeneration rate, which is equivalent to decomposition of the Fe(II){center dot}EDTA{center dot}NO complex to Fe(II){center dot}EDTA; an oxidation rate, which is a combined rate for all possible oxidation reactions involving Fe(II){center dot}EDTA; and a reduction rate, which is a combined rate for all possible reduction reactions involving ferric-EDTA in the system.

  11. A chemical kinetic model for NO{sub x} removal in an aqueous scrubber system using the additive Fe[II]{center_dot}EDTA

    SciTech Connect

    Mendelsohn, M.H.; Livengood, C.D.

    1992-09-01

    Addition of the metal chelate, ferrous{center_dot} ethylenediaminetetraacetate anion (Fe[II]{center_dot}EDTA{sup 2{minus}}), has been shown to increase the amount of gaseous nitrogen oxides absorbed from a gas stream containing sulfur dioxide, where an aqueous scrubbing process is used to treat the gas. Recently, we published data on improved systems for NO{sub x} removal that incorporate an antioxidant and/or reducing agent (A/R) in the process along with the Fe[H]{center_dot}EDTA. The purpose of the A/R is to maintain the highest possible concentration of iron in the +2 form. The major mechanism for NO removal is believed to be the equilibrium reaction of Fe[II]{center_dot}EDTA with dissolved NO to form a Fe[II]{center_dot}EDTA{center_dot}NO complex. It has been shown that both sulfite and bisulfite anions can react with Fe[II]{center_dot}EDTA{center_dot}NO to regenerate Fe[II]{center_dot}EDTA and other products. In a complex system, other oxidation and reduction mechanisms are also possible. We have chosen, therefore, to approach this problem empirically by fitting our experimental data to a model containing at most three kinetic terms, chosen from among the following: a baseline removal rate, which is equivalent to the rate of reaction of Fe[II]{center_dot}EDTA with nitric oxide; a regeneration rate, which is equivalent to decomposition of the Fe[II]{center_dot}EDTA{center_dot}NO complex to Fe[II]{center_dot}EDTA; an oxidation rate, which is a combined rate for all possible oxidation reactions involving Fe[II]{center_dot}EDTA; and a reduction rate, which is a combined rate for all possible reduction reactions involving ferric-EDTA in the system.

  12. DISSECTING GALAXY FORMATION. II. COMPARING SUBSTRUCTURE IN PURE DARK MATTER AND BARYONIC MODELS

    SciTech Connect

    Romano-Diaz, Emilio; Shlosman, Isaac; Heller, Clayton; Hoffman, Yehuda

    2010-06-20

    We compare the substructure evolution in pure dark matter (DM) halos with those in the presence of baryons, hereafter PDM and BDM models, respectively. The prime halos have been analyzed in the previous work. Models have been evolved from identical initial conditions which have been constructed by means of the constrained realization method. The BDM model includes star formation and feedback from stellar evolution onto the gas. A comprehensive catalog of subhalo populations has been compiled and individual and statistical properties of subhalos analyzed, including their orbital differences. We find that subhalo population mass functions in PDM and BDM are consistent with a single power law, M {sup {alpha}}{sub sbh}, for each of the models in the mass range of {approx}2 x 10{sup 8} M{sub sun}-2 x 10{sup 11} M{sub sun}. However, we detect a nonnegligible shift between these functions, the time-averaged {alpha} {approx} -0.86 for the PDM and -0.98 for the BDM models. Overall, {alpha} appears to be a nearly constant in time, with variations of {+-}15%. Second, we find that the radial mass distribution of subhalo populations can be approximated by a power law, R{sup {gamma}{sub sbh}} with a steepening that occurs at the radius of a maximal circular velocity, R{sub vmax}, in the prime halos. Here we find that {gamma}{sub sbh} {approx} -1.5 for the PDM and -1 for the BDM models, when averaged over time inside R{sub vmax}. The slope is steeper outside this region and approaches -3. We detect little spatial bias (less than 10%) between the subhalo populations and the DM distribution of the main halos. Also, the subhalo population exhibits much less triaxiality in the presence of baryons, in tandem with the shape of the prime halo. Finally, we find that, counter-intuitively, the BDM population is depleted at a faster rate than the PDM one within the central 30 kpc of the prime halo. The reason for this is that although the baryons provide a substantial glue to the subhalos

  13. Models of the Shoemaker-Levy 9 Impacts. II. Radiative-Hydrodynamic Modeling of the Plume Splashback

    NASA Astrophysics Data System (ADS)

    Deming, Drake; Harrington, Joseph

    2001-11-01

    We model the plume ``splashback'' phase of the Shoemaker-Levy 9 (SL9) collisions with Jupiter. We modified the ZEUS-3D hydrodynamic code to include radiative transport in the gray approximation and present validation tests. After initializing with a model Jovian atmosphere, we couple mass and momentum fluxes of SL9 plume material, as calculated by the ballistic Monte Carlo plume model of Paper I of this series. A strong and complex shock structure results. The shock temperatures produced by the model agree well with observations, and the structure and evolution of the modeled shocks account for the appearance of high-excitation molecular line emission after the peak of the continuum light curve. The splashback region cools by radial expansion as well as by radiation. The morphology of our synthetic continuum light curves agrees with observations over a broad wavelength range (0.9-12 μm). Much of the complex structure of these light curves is a natural consequence of the temperature dependence of the Planck function and the plume velocity distribution. A feature of our ballistic plume is a shell of mass at the highest velocities, which we term the ``vanguard.'' Portions of the vanguard ejected on shallow trajectories produce a lateral shock front, whose initial expansion accounts for the ``third precursors'' seen in the 2 μm light curves of the larger impacts and for hot methane emission at early times observed by Dinelli and coworkers. Continued propagation of this lateral shock approximately reproduces the radii, propagation speed, and centroid positions of the large rings observed at 3-4 μm by McGregor and coworkers. The portion of the vanguard ejected closer to the vertical falls back with high z-component velocities just after maximum light, producing CO emission and the ``flare'' seen at 0.9 μm. The model also produces secondary maxima (``bounces''), whose amplitudes and periods are in agreement with observations.

  14. Jupiter's zone-belt structure at radio wavelengths. II - Comparison of observations with model atmosphere calculations

    NASA Astrophysics Data System (ADS)

    de Pater, I.

    1986-11-01

    The models on which the present simulation calculations of Jupiter's thermal emission at radio wavelengths are based are in turn constrained by recent VLA observations at cm-wavelengths of the limb darkening characteristics and zone-belt structure of the planet. Ammonia gas is noted to be superabundant by a factor of nearly 2 by comparison with the solar value at pressure levels greater than 2.2 bar. The present model atmosphere calculations, when compared to the new radio data, confirm the cloud scenario proposed by Bjoraker (1985) and West et al. (1986). Further evidence is found to support Ingersoll and Cuzzy's (1969) theory of the dynamics of Jupiter's cloud bands, in the guise of a mechanism triggering zonal wind motions.

  15. Integrated optimal allocation model for complex adaptive system of water resources management (II): Case study

    NASA Astrophysics Data System (ADS)

    Zhou, Yanlai; Guo, Shenglian; Xu, Chong-Yu; Liu, Dedi; Chen, Lu; Wang, Dong

    2015-12-01

    Climate change, rapid economic development and increase of the human population are considered as the major triggers of increasing challenges for water resources management. This proposed integrated optimal allocation model (IOAM) for complex adaptive system of water resources management is applied in Dongjiang River basin located in the Guangdong Province of China. The IOAM is calibrated and validated under baseline period 2010 year and future period 2011-2030 year, respectively. The simulation results indicate that the proposed model can make a trade-off between demand and supply for sustainable development of society, economy, ecology and environment and achieve adaptive management of water resources allocation. The optimal scheme derived by multi-objective evaluation is recommended for decision-makers in order to maximize the comprehensive benefits of water resources management.

  16. A model Hamiltonian to simulate the complex photochemistry of benzene II

    SciTech Connect

    Penfold, Thomas J.; Worth, Graham A.

    2009-08-14

    The photophysics and photochemistry of benzene is a classic example of the richness of competing pathways available to a molecule after photoexcitation. Computer simulations are one way to provide a molecular picture for the dynamics behind the experimental observations. In this paper we develop a vibronic coupling Hamiltonian prepared in a previous paper [G. A. Worth, J. Photochem. Photobiol., A 190, 190 (2007)]. Using CASPT2 we add dynamic correlation to the description of the excited states, improving their accuracy dramatically. Seven coupled states and all vibrational modes are included in the model and the parameters are obtained by fitting to points provided by the quantum chemistry calculations. The model is shown to be a good fit of the adiabatic surfaces and its accuracy is demonstrated by the calculation of three absorption bands, which compare favorably with the experimentally obtained spectra.

  17. Quasar discs. II - A composite model for the broad-line region

    NASA Astrophysics Data System (ADS)

    Netzer, Hagai

    1987-03-01

    The possibility of geometrically thin accretion discs in active galactic nuclei (AGNs) was discussed in Paper I of this series (H. Netzer, 1985). The apparent luminosity of such discs depends on the viewing angle and this may be the reason for the observed correlation of continuum brightness and line equivalent width. This idea is taken one step further in the present work and the emission line spectrum of a gas exposed to the anisotropic ionizing radiation of a disc is investigated. One example which is studied in detail is that of a disc UV continuum combined with an isotropic X-ray source. Analysis of the L-M relationship in AGNs, within the framework of the new model, shows that these objects have smaller central masses and higher accretion efficiencies compared with previous estimates. There are important consequences for the two-phase model and cloud formation, and specific predictions of the observed LUV/LX, which is angle dependent.

  18. Optical and radiometric models of the NOMAD instrument part II: the infrared channels - SO and LNO.

    PubMed

    Thomas, I R; Vandaele, A C; Robert, S; Neefs, E; Drummond, R; Daerden, F; Delanoye, S; Ristic, B; Berkenbosch, S; Clairquin, R; Maes, J; Bonnewijn, S; Depiesse, C; Mahieux, A; Trompet, L; Neary, L; Willame, Y; Wilque, V; Nevejans, D; Aballea, L; Moelans, W; De Vos, L; Lesschaeve, S; Van Vooren, N; Lopez-Moreno, J-J; Patel, M R; Bellucci, G

    2016-02-22

    NOMAD is a suite of three spectrometers that will be launched in 2016 as part of the joint ESA-Roscosmos ExoMars Trace Gas Orbiter mission. The instrument contains three channels that cover the IR and UV spectral ranges and can perform solar occultation, nadir and limb observations, to detect and map a wide variety of Martian atmospheric gases and trace species. Part I of this work described the models of the UVIS channel; in this second part, we present the optical models representing the two IR channels, SO (Solar Occultation) and LNO (Limb, Nadir and Occultation), and use them to determine signal to noise ratios (SNRs) for many expected observational cases. In solar occultation mode, both the SO and LNO channel exhibit very high SNRs >5000. SNRs of around 100 were found for the LNO channel in nadir mode, depending on the atmospheric conditions, Martian surface properties, and observation geometry. PMID:27333621

  19. Prey-Predator Three Species Model Using Predator Harvesting Holling Type II Functional

    NASA Astrophysics Data System (ADS)

    Vijaya, S.; Rekha, E.

    2016-07-01

    This paper presents three species harvesting model in which there is one predator species and two others are prey species. We derive boundedness and equilibrium point for this system. Also we derive the stability of this system analytically. We find bifurcation for this system. We have derived the binomic equilibrium point by using Pontryagin’s maximum principle (PMP). Presented are various suitable analytical and numerical examples with Maple 18 programming.

  20. A new model to predict weak-lensing peak counts. II. Parameter constraint strategies

    NASA Astrophysics Data System (ADS)

    Lin, Chieh-An; Kilbinger, Martin

    2015-11-01

    Context. Peak counts have been shown to be an excellent tool for extracting the non-Gaussian part of the weak lensing signal. Recently, we developed a fast stochastic forward model to predict weak-lensing peak counts. Our model is able to reconstruct the underlying distribution of observables for analysis. Aims: In this work, we explore and compare various strategies for constraining a parameter using our model, focusing on the matter density Ωm and the density fluctuation amplitude σ8. Methods: First, we examine the impact from the cosmological dependency of covariances (CDC). Second, we perform the analysis with the copula likelihood, a technique that makes a weaker assumption than does the Gaussian likelihood. Third, direct, non-analytic parameter estimations are applied using the full information of the distribution. Fourth, we obtain constraints with approximate Bayesian computation (ABC), an efficient, robust, and likelihood-free algorithm based on accept-reject sampling. Results: We find that neglecting the CDC effect enlarges parameter contours by 22% and that the covariance-varying copula likelihood is a very good approximation to the true likelihood. The direct techniques work well in spite of noisier contours. Concerning ABC, the iterative process converges quickly to a posterior distribution that is in excellent agreement with results from our other analyses. The time cost for ABC is reduced by two orders of magnitude. Conclusions: The stochastic nature of our weak-lensing peak count model allows us to use various techniques that approach the true underlying probability distribution of observables, without making simplifying assumptions. Our work can be generalized to other observables where forward simulations provide samples of the underlying distribution.

  1. N-BODY SIMULATION OF PLANETESIMAL FORMATION THROUGH GRAVITATIONAL INSTABILITY AND COAGULATION. II. ACCRETION MODEL

    SciTech Connect

    Michikoshi, Shugo; Kokubo, Eiichiro; Inutsuka, Shu-ichiro E-mail: kokubo@th.nao.ac.j

    2009-10-01

    The gravitational instability of a dust layer is one of the scenarios for planetesimal formation. If the density of a dust layer becomes sufficiently high as a result of the sedimentation of dust grains toward the midplane of a protoplanetary disk, the layer becomes gravitationally unstable and spontaneously fragments into planetesimals. Using a shearing box method, we performed local N-body simulations of gravitational instability of a dust layer and subsequent coagulation without gas and investigated the basic formation process of planetesimals. In this paper, we adopted the accretion model as a collision model. A gravitationally bound pair of particles is replaced by a single particle with the total mass of the pair. This accretion model enables us to perform long-term and large-scale calculations. We confirmed that the formation process of planetesimals is the same as that in the previous paper with the rubble pile models. The formation process is divided into three stages: the formation of nonaxisymmetric structures; the creation of planetesimal seeds; and their collisional growth. We investigated the dependence of the planetesimal mass on the simulation domain size. We found that the mean mass of planetesimals formed in simulations is proportional to L {sup 3/2} {sub y}, where L{sub y} is the size of the computational domain in the direction of rotation. However, the mean mass of planetesimals is independent of L{sub x} , where L{sub x} is the size of the computational domain in the radial direction if L{sub x} is sufficiently large. We presented the estimation formula of the planetesimal mass taking into account the simulation domain size.

  2. A SLAM II simulation model for analyzing space station mission processing requirements

    NASA Technical Reports Server (NTRS)

    Linton, D. G.

    1985-01-01

    Space station mission processing is modeled via the SLAM 2 simulation language on an IBM 4381 mainframe and an IBM PC microcomputer with 620K RAM, two double-sided disk drives and an 8087 coprocessor chip. Using a time phased mission (payload) schedule and parameters associated with the mission, orbiter (space shuttle) and ground facility databases, estimates for ground facility utilization are computed. Simulation output associated with the science and applications database is used to assess alternative mission schedules.

  3. Braking index of isolated pulsars. II. A novel two-dipole model of pulsar magnetism

    NASA Astrophysics Data System (ADS)

    Hamil, O.; Stone, N. J.; Stone, J. R.

    2016-09-01

    The magnetic dipole radiation model is currently the best approach we have to explain pulsar radiation. However, a most characteristic parameter of the observed radiation, the braking index nobs , shows deviations for all the eight best studied isolated pulsars, from the simple model prediction ndip=3 . The index depends upon the rotational frequency and its first and second time derivatives but also on the assumption that the magnetic dipole moment and inclination angle and the moment of inertia of the pulsar are constant in time. In a recent paper [Phys. Rev. D 91, 063007 (2015)], we showed conclusively that changes in the moment of inertia with frequency alone cannot explain the observed braking indices. Possible observational evidence for the magnetic dipole moment migrating away from the rotational axis at a rate α ˙ ˜0.6 ° per 100 years over the lifetime of the Crab pulsar has been recently suggested by Lyne et al. In this paper, we explore the magnetic dipole radiation model with constant moment of inertia and magnetic dipole moment but variable inclination angle α . We first discuss the effect of the variation of α on the observed braking indices and show they all can be understood. However, no explanation for the origin of the change in α is provided. After discussion of the possible source(s) of magnetism in pulsars, we propose a simple mechanism for the change in α based on a toy model in which the magnetic structure in pulsars consists of two interacting dipoles. We show that such a system can explain the Crab observation and the measured braking indices.

  4. Emergence of Template-and-Sequence-Directed (tsd) Syntheses: Ii. A Computer Simulation Model

    NASA Astrophysics Data System (ADS)

    Nir, Shlomo; Lahav, Noam

    1997-12-01

    The initiation of the bio-geochemical scenario described in Part I serves in the present work as the basis for computer modeling, where the central process of the simulation algorithm, i.e., peptide-catalyzed oligomeric growth, is based on mass action equations. The computer model starts with a minimal system in which catalyzed growth processes of proto-RNA templates and small peptides take place, starting from their building blocks. The emerging populations of random oligomers also include a very small fraction of proto-tRNAs and a small fraction of catalytic peptides. Using simplifying assumptions regarding catalyzed proto-RNA template-replication, as well as selectivity of certain molecules and processes, the proportion of proto-tRNA in the proto-RNA molecular population increases rapidly; it is followed by TSD peptide synthesis, based on an ad hoc genetic code and specific peptide catalysts allocated for this synthesis. Consequently, a feedback system is initiated in which TSD peptides involved in the relevant catalytic reactions of the TSD syntheses also start to accumulate. The initial sporadic formation of TSD peptides is thus replaced gradually by cycles of positive feedback and autocatalysis characterized by accumulation of catalytic peptides and Proto-tRNAs and TSD-Reaction-Takeover. The model system which can be considered a `toy model' can synthesize its templates and catalysts under a wide range of reaction parameters and initial concentrations, thus demonstrating a robustness which is essential for molecular evolution processes. The critical stage of the buildup of a molecular mechanism for the initiation of a minimal TSD reaction cycle has thus been described; because of the centrality of TSD reaction cycles in biology, it is assumed to be central also in the origin of life processes.

  5. Exponential Gaussian approach for spectral modelling: The EGO algorithm II. Band asymmetry

    NASA Astrophysics Data System (ADS)

    Pompilio, Loredana; Pedrazzi, Giuseppe; Cloutis, Edward A.; Craig, Michael A.; Roush, Ted L.

    2010-08-01

    The present investigation is complementary to a previous paper which introduced the EGO approach to spectral modelling of reflectance measurements acquired in the visible and near-IR range (Pompilio, L., Pedrazzi, G., Sgavetti, M., Cloutis, E.A., Craig, M.A., Roush, T.L. [2009]. Icarus, 201 (2), 781-794). Here, we show the performances of the EGO model in attempting to account for temperature-induced variations in spectra, specifically band asymmetry. Our main goals are: (1) to recognize and model thermal-induced band asymmetry in reflectance spectra; (2) to develop a basic approach for decomposition of remotely acquired spectra from planetary surfaces, where effects due to temperature variations are most prevalent; (3) to reduce the uncertainty related to quantitative estimation of band position and depth when band asymmetry is occurring. In order to accomplish these objectives, we tested the EGO algorithm on a number of measurements acquired on powdered pyroxenes at sample temperature ranging from 80 up to 400 K. The main results arising from this study are: (1) EGO model is able to numerically account for the occurrence of band asymmetry on reflectance spectra; (2) the returned set of EGO parameters can suggest the influence of some additional effect other than the electronic transition responsible for the absorption feature; (3) the returned set of EGO parameters can help in estimating the surface temperature of a planetary body; (4) the occurrence of absorptions which are less affected by temperature variations can be mapped for minerals and thus used for compositional estimates. Further work is still required in order to analyze the behaviour of the EGO algorithm with respect to temperature-induced band asymmetry using powdered pyroxene spanning a range of compositions and grain sizes and more complex band shapes.

  6. 2D photochemical modeling of Saturn's stratosphere. Part II: Feedback between composition and temperature

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

  7. HAZMAT II: Modeling the Evolution of Extreme--UV Radiation from M Stars

    NASA Astrophysics Data System (ADS)

    Peacock, S.; Barman, T.; Shkolnik, E.

    2014-03-01

    M dwarf stars make up nearly 75% of the Milky Way's stellar population. Due to their low luminosities, the habitable zones around these stars are very close in (~0.1--0.4 AU), which makes it easier to find terrestrial planets located in these regions. Stars emit their highest levels of extreme ultraviolet (EUV) radiation in the earliest stages of their evolution while planets are simultaneously forming and accumulating their atmospheres. High levels of EUV radiation can alter the abundance of important molecules such as H2O, changing the chemistry in extrasolar planet atmospheres. This research is the next major step in the HAZMAT (HAbitable Zones and M dwarf Activity across Time) project to analyze how the habitable zone evolves with the evolving properties of stellar and planetary atmospheres. Most previous stellar atmosphere models under--predict far ultraviolet (FUV) emission from M dwarfs; here we present new models for M stars that include prescriptions for the hot, lowest density, atmospheric layers (chromosphere, transition region and corona). By comparing our model spectra to GALEX near and far ultraviolet fluxes (see HAZMAT 1 abstract by Shkolnik et al.), we are able to predict the evolution of EUV radiation for M dwarfs from 10 Myr -- 1 Gyr. The results of the HAZMAT project will tell if a planet in the canonical habitable zone is truly habitable by understanding the evolution of planetary atmospheres as they are subject to large amounts of high--energy radiation.

  8. HAZMAT II: Modeling the Evolution of Extreme-UV Radiation from M Stars

    NASA Astrophysics Data System (ADS)

    Peacock, Sarah; Barman, Travis S.; Shkolnik, Evgenya

    2015-01-01

    M dwarf stars make up nearly 75% of the Milky Way's stellar population. Due to their low luminosities, the habitable zones around these stars are very close in (~0.1-0.4 AU), increasing the probability of finding terrestrial planets located in these regions. While there is evidence that stars emit their highest levels of far and near ultraviolet (FUV; NUV) radiation in the earliest stages of their evolution while planets are simultaneously forming and accumulating their atmospheres, we are currently unable to directly measure the extreme UV radiation (EUV). High levels of EUV radiation can alter the abundance of important molecules such as H2O, changing the chemistry in extrasolar planet atmospheres. Most previous stellar atmosphere models under-predict FUV and EUV emission from M dwarfs; here we present new models for M stars that include prescriptions for the hot, lowest density, atmospheric layers (chromosphere, transition region and corona), from which this radiation is emitted. By comparing our model spectra to GALEX near and far ultraviolet fluxes, we are able to predict the evolution of EUV radiation for M dwarfs from 10 Myr - 1 Gyr. This research is the next major step in the HAZMAT (HAbitable Zones and M dwarf Activity across Time) project to analyze how the habitable zone evolves with the evolving properties of stellar and planetary atmospheres.

  9. Rejoining and misrejoining of radiation-induced chromatin breaks. II. Biophysical Model

    NASA Technical Reports Server (NTRS)

    Wu, H.; Durante, M.; George, K.; Goodwin, E. H.; Yang, T. C.

    1996-01-01

    A biophysical model for the kinetics of the formation of radiation-induced chromosome aberrations is developed to account for the recent experimental results obtained with a combination of the premature chromosome condensation (PCC) and fluorescence in situ hybridization (FISH) techniques. In this model, we consider the broken ends of DNA double-strand breaks (DSBs) to be reactant and make use of the interaction distance hypothesis. The repair/misrepair process between broken ends is suggested to consist of two steps; the first step represents the two break ends approaching each other, and the second step represents the enzymatic processes leading to DNA end-to-end rejoining. Only the second step is reflected in the kinetics observed in experiments using PCC. The model appears to be able to fit existing data for human cells. It is shown that the kinetics of the formation of chromosome aberrations can be explained by a single rate that characterizes both rejoining and misrejoining of DSBs, suggesting that repair and misrepair share the same mechanism. Fast repair (completed in minutes) in a subset of DSBs is suggested as an explanation of the complete exchanges observed with PCC in human lymphocytes immediately after irradiation. The fast repair component seems to be absent in human fibroblasts.

  10. QUASI-STATIC MODEL OF MAGNETICALLY COLLIMATED JETS AND RADIO LOBES. II. JET STRUCTURE AND STABILITY

    SciTech Connect

    Colgate, Stirling A.; Li, Hui; Fowler, T. Kenneth; Hooper, E. Bickford; McClenaghan, Joseph; Lin, Zhihong

    2015-11-10

    This is the second in a series of companion papers showing that when an efficient dynamo can be maintained by accretion disks around supermassive black holes in active galactic nuclei, it can lead to the formation of a powerful, magnetically driven, and mediated helix that could explain both the observed radio jet/lobe structures and ultimately the enormous power inferred from the observed ultrahigh-energy cosmic rays. In the first paper, we showed self-consistently that minimizing viscous dissipation in the disk naturally leads to jets of maximum power with boundary conditions known to yield jets as a low-density, magnetically collimated tower, consistent with observational constraints of wire-like currents at distances far from the black hole. In this paper we show that these magnetic towers remain collimated as they grow in length at nonrelativistic velocities. Differences with relativistic jet models are explained by three-dimensional magnetic structures derived from a detailed examination of stability properties of the tower model, including a broad diffuse pinch with current profiles predicted by a detailed jet solution outside the collimated central column treated as an electric circuit. We justify our model in part by the derived jet dimensions in reasonable agreement with observations. Using these jet properties, we also discuss the implications for relativistic particle acceleration in nonrelativistically moving jets. The appendices justify the low jet densities yielding our results and speculate how to reconcile our nonrelativistic treatment with general relativistic MHD simulations.

  11. Structural disorder in the decagonal Al-Co-Ni. II. Modeling

    SciTech Connect

    Kobas, Miroslav; Weber, Thomas; Steurer, Walter

    2005-06-01

    The hydrodynamic theory of phasonic and phononic disorder is applied successfully to describe the short-range disordered structure of a decagonal Al{sub 71.5}Co{sub 14.6}Ni{sub 13.9} quasicrystal (Edagawa phase, superstructure type I). Moreover, model calculations demonstrate that the main features of diffuse scattering can be equally well described by phasonic disorder and fivefold orientational disorder of clusters. The calculations allow us to distinguish the different cluster types published so far and the best agreement with experimental data could be achieved with the mirror-symmetric Abe cluster. Modeling of phason diffuse scattering associated with the S1 and S2 superstructure reflections indicate disorder of superclusters. The former show basically intercluster correlations inside quasiperiodic layers, while the latter exhibit intra- and inter-cluster correlations, both between adjacent and inside quasiperiodic layers. The feasibility, potential, and limits of the Patterson method in combination with the punch-and-fill method employed is shown on the example of a phasonic disordered rhombic Penrose tiling. A variation of the elastic constants does not change qualitatively the way phasonic disorder is realized in the local quasicrystalline structure. For the same model system it is also shown that phasonic fluctuations of the atomic surfaces yield average clusters in the cut space, which correspond to fivefold orientationally disordered clusters.

  12. Fluids with competing interactions. II. Validating a free energy model for equilibrium cluster size

    NASA Astrophysics Data System (ADS)

    Bollinger, Jonathan A.; Truskett, Thomas M.

    2016-08-01

    Using computer simulations, we validate a simple free energy model that can be analytically solved to predict the equilibrium size of self-limiting clusters of particles in the fluid state governed by a combination of short-range attractive and long-range repulsive pair potentials. The model is a semi-empirical adaptation and extension of the canonical free energy-based result due to Groenewold and Kegel [J. Phys. Chem. B 105, 11702-11709 (2001)], where we use new computer simulation data to systematically improve the cluster-size scalings with respect to the strengths of the competing interactions driving aggregation. We find that one can adapt a classical nucleation like theory for small energetically frustrated aggregates provided one appropriately accounts for a size-dependent, microscopic energy penalty of interface formation, which requires new scaling arguments. This framework is verified in part by considering the extensive scaling of intracluster bonding, where we uncover a superlinear scaling regime distinct from (and located between) the known regimes for small and large aggregates. We validate our model based on comparisons against approximately 100 different simulated systems comprising compact spherical aggregates with characteristic (terminal) sizes between six and sixty monomers, which correspond to wide ranges in experimentally controllable parameters.

  13. Rate of reduction of ore-carbon composites: Part II. Modeling of reduction in extended composites

    SciTech Connect

    Fortini, O.M.; Fruehan, R.J.

    2005-12-01

    A new process for ironmaking was proposed using a rotary hearth furnace and an iron bath smelter to produce iron employing wood charcoal as an energy source and reductant. This paper examines reactions in composite pellet samples with sizes close to sizes used in industrial practice (10 to 16 min in diameter). A model was constructed using the combined kinetic mechanism developed in Part I of this series of articles along with equations for the computation of pellet temperature and shrinkage during the reaction. The analysis of reaction rates measured for pellets with wood charcoal showed that heat transfer plays a significant role in their overall rate of reaction at elevated temperatures. The slower rates measured in pellets containing coal char show that the intrinsic kinetics of carbon oxidation is more significant than heat transfer. Model calculations suggest that the rates are highly sensitive to the thermal conductivity of pellets containing wood charcoal and are less sensitive to the external conditions of heat transfer. It was seen that the changes in pellet surface area and diameter due to shrinkage introduce little change on reaction rates. The model developed provides an adequate description of pellets of wood charcoal up to circa 90% of reduction. Experimentally determined rates of reduction of iron oxide by wood charcoal were approximately 5 to 10 times faster than rates measured in pellets with coal char.

  14. Cloning Hubble Deep Fields. II. Models for Evolution by Bright Galaxy Image Transformation

    NASA Astrophysics Data System (ADS)

    Bouwens, Rychard; Broadhurst, Tom; Silk, Joseph

    1998-10-01

    In a companion paper, we outlined a methodology for generating parameter-free, model-independent ``no-evolution'' fields of faint galaxy images, demonstrating the need for significant evolution in the Hubble Deep Field (HDF) at faint magnitudes. Here we incorporate evolution into our procedure, by transforming the input bright galaxy images with redshift, for comparison with the HDF at faint magnitudes. Pure luminosity evolution is explored with the assumption that galaxy surface brightness evolves uniformly, at a rate chosen to reproduce the I-band counts. This form of evolution exacerbates the size discrepancy identified by our no-evolution simulations by increasing the area of a galaxy visible to a fixed isophote. Reasonable dwarf-augmented models are unable to generate the count excess invoking moderate rates of stellar evolution. A plausible fit to the counts and sizes is provided by ``mass-conserving'' density-evolution, consistent with small-scale hierarchical growth, in which the product of disk area and space density is conserved with redshift. Here the increased surface brightness generated by stellar evolution is accommodated by the reduced average galaxy size, for a wide range of geometries. These models are useful for calculating the rates of incompleteness and the degree of overcounting. Finally we demonstrate the potential for improvement in quantifying evolution at fainter magnitudes using the Hubble Space Telescope Advanced Camera, with its superior UV and optical performance.

  15. Artificial neural network and multiple regression model for nickel(II) adsorption on powdered activated carbons.

    PubMed

    Hema, M; Srinivasan, K

    2011-07-01

    Nickel removal efficiency of powered activated carbons of coconut oilcake, neem oilcake and commercial carbon was investigated by using artificial neural network. The effective parameters for the removal of nickel (%R) by adsorption process, which included the pH, contact time (T), distinctiveness of activated carbon (Cn), amount of activated carbon (Cw) and initial concentration of nickel (Co) were investigated. Levenberg-Marquardt (LM) Back-propagation algorithm is used to train the network. The network topology was optimized by varying number of hidden layer and number of neurons in hidden layer. The model was developed in terms of training; validation and testing of experimental data, the test subsets that each of them contains 60%, 20% and 20% of total experimental data, respectively. Multiple regression equation was developed for nickel adsorption system and the output was compared with both simulated and experimental outputs. Standard deviation (SD) with respect to experimental output was quite higher in the case of regression model when compared with ANN model. The obtained experimental data best fitted with the artificial neural network. PMID:23029923

  16. Statistics of dark matter substructure - II. Comparison of model with simulation results

    NASA Astrophysics Data System (ADS)

    van den Bosch, Frank C.; Jiang, Fangzhou

    2016-05-01

    We compare subhalo mass and velocity functions obtained from different simulations with different subhalo finders among each other, and with predictions from the new semi-analytical model presented in Paper I. We find that subhalo mass functions (SHMFs) obtained using different subhalo finders agree with each other at the level of ˜20 per cent, but only at the low-mass end. At the massive end, subhalo finders that identify subhaloes based purely on density in configuration space dramatically underpredict the subhalo abundances by more than an order of magnitude. These problems are much less severe for subhalo velocity functions (SHVFs), indicating that they arise from issues related to assigning masses to the subhaloes, rather than from detecting them. Overall the predictions from the semi-analytical model are in excellent agreement with simulation results obtained using the more advanced subhalo finders that use information in six-dimensional phase-space. In particular, the model accurately reproduces the slope and host-mass-dependent normalization of both the subhalo mass and velocity functions. We find that the SHMFs and SHVFs have power-law slopes of 0.86 and 2.77, respectively, significantly shallower than what has been claimed in several studies in the literature.

  17. Pharmacophore modeling of dual angiotensin II and endothelin A receptor antagonists.

    PubMed

    Xue, Wei-Zhe; Lü, Wei; Zhou, Zhi-Ming; Wang, Zhan-Li

    2009-09-01

    Three-dimensional pharmacophore models were generated for AT1 and ET(A) receptors based on highly selective AT1 and ET(A) antagonists using the program Catalyst/HipHop. Both the best pharmacophore model for selective AT1 antagonists (Hypo-AT(1)-7) and ETA antagonists (Hypo-ET(A)-1) were obtained through a careful validation process. All five features contained in Hypo-AT(1)-7 and Hypo-ET(A)-1 (hydrogen-bond acceptor (A), hydrophobic aliphatic (Z), negative ionizable (N), ring aromatic (R), and hydrophobic aromatic (Y)) seem to be essential for antagonists in terms of binding activity. Dual AT1 and ET(A) receptor antagonists (DARAs) can map to both Hypo-AT(1)-7 and Hypo-ET(A)-1, separately. Comparison of Hypo-AT(1)-7 and Hypo-ET(A)-1, not only AT1 and ET(A) antagonist pharmacophore models consist of essential features necessary for compounds to be highly active and selective toward their corresponding receptor, but also have something in common. The results in this study will act as a valuable tool for designing and researching structural relationship of novel dual AT1 and ET(A) receptor antagonists. PMID:20055175

  18. Advances in the meta-analysis of heterogeneous clinical trials II: The quality effects model.

    PubMed

    Doi, Suhail A R; Barendregt, Jan J; Khan, Shahjahan; Thalib, Lukman; Williams, Gail M

    2015-11-01

    This article examines the performance of the updated quality effects (QE) estimator for meta-analysis of heterogeneous studies. It is shown that this approach leads to a decreased mean squared error (MSE) of the estimator while maintaining the nominal level of coverage probability of the confidence interval. Extensive simulation studies confirm that this approach leads to the maintenance of the correct coverage probability of the confidence interval, regardless of the level of heterogeneity, as well as a lower observed variance compared to the random effects (RE) model. The QE model is robust to subjectivity in quality assessment down to completely random entry, in which case its MSE equals that of the RE estimator. When the proposed QE method is applied to a meta-analysis of magnesium for myocardial infarction data, the pooled mortality odds ratio (OR) becomes 0.81 (95% CI 0.61-1.08) which favors the larger studies but also reflects the increased uncertainty around the pooled estimate. In comparison, under the RE model, the pooled mortality OR is 0.71 (95% CI 0.57-0.89) which is less conservative than that of the QE results. The new estimation method has been implemented into the free meta-analysis software MetaXL which allows comparison of alternative estimators and can be downloaded from www.epigear.com.

  19. Pharmacophore modeling of dual angiotensin II and endothelin A receptor antagonists.

    PubMed

    Xue, Wei-Zhe; Lü, Wei; Zhou, Zhi-Ming; Wang, Zhan-Li

    2009-09-01

    Three-dimensional pharmacophore models were generated for AT1 and ET(A) receptors based on highly selective AT1 and ET(A) antagonists using the program Catalyst/HipHop. Both the best pharmacophore model for selective AT1 antagonists (Hypo-AT(1)-7) and ETA antagonists (Hypo-ET(A)-1) were obtained through a careful validation process. All five features contained in Hypo-AT(1)-7 and Hypo-ET(A)-1 (hydrogen-bond acceptor (A), hydrophobic aliphatic (Z), negative ionizable (N), ring aromatic (R), and hydrophobic aromatic (Y)) seem to be essential for antagonists in terms of binding activity. Dual AT1 and ET(A) receptor antagonists (DARAs) can map to both Hypo-AT(1)-7 and Hypo-ET(A)-1, separately. Comparison of Hypo-AT(1)-7 and Hypo-ET(A)-1, not only AT1 and ET(A) antagonist pharmacophore models consist of essential features necessary for compounds to be highly active and selective toward their corresponding receptor, but also have something in common. The results in this study will act as a valuable tool for designing and researching structural relationship of novel dual AT1 and ET(A) receptor antagonists.

  20. A continuous membrane bioreactor for ester synthesis in organic media: II. Modeling Of MBR continuous operation.

    PubMed

    Carvalho, C M; Aires-Barros, M R; Cabral, J M

    2001-01-20

    A model was developed to describe the conversion degree in a membrane bioreactor (MBR) for the synthesis of short-chain esters as a function of the flow rate. The transesterification reaction was catalyzed by a recombinant cutinase of Fusarium solani pisi microencapsulated in reversed micelles of AOT/isooctane. The differences of product concentration in permeate and retentate together with the deactivation profiles led to an enzyme distribution evaluation that describes the experimental values attained. The model considers the bioreactor design as well as its hydrodynamics and the enzyme kinetics. The approach included the analysis of the MBR operation as a CSTR, a PFR, and a series of continuous reactors. The comparative efficiency of these reactor types is discussed. The enzyme distribution was estimated for all the cases. The best description was obtained considering a series of two CSTRs. The modeling results led to a re-evaluation of cutinase operational stability. Deactivation rates correlated very well with the hydrodynamic aspects of biocatalyst location.

  1. A solvent model for simulations of peptides in bilayers. II. Membrane-spanning alpha-helices.

    PubMed Central

    Efremov, R G; Nolde, D E; Vergoten, G; Arseniev, A S

    1999-01-01

    We describe application of the implicit solvation model (see the first paper of this series), to Monte Carlo simulations of several peptides in bilayer- and water-mimetic environments, and in vacuum. The membrane-bound peptides chosen were transmembrane segments A and B of bacteriorhodopsin, the hydrophobic segment of surfactant lipoprotein, and magainin2. Their conformations in membrane-like media are known from the experiments. Also, molecular dynamics study of surfactant lipoprotein with different explicit solvents has been reported (Kovacs, H., A. E. Mark, J. Johansson, and W. F. van Gunsteren. 1995. J. Mol. Biol. 247:808-822). The principal goal of this work is to compare the results obtained in the framework of our solvation model with available experimental and computational data. The findings could be summarized as follows: 1) structural and energetic properties of studied molecules strongly depend on the solvent; membrane-mimetic media significantly promote formation of alpha-helices capable of traversing the bilayer, whereas a polar environment destabilizes alpha-helical conformation via reduction of solvent-exposed surface area and packing; 2) the structures calculated in a membrane-like environment agree with the experimental ones; 3) noticeable differences in conformation of surfactant lipoprotein assessed via Monte Carlo simulation with implicit solvent (this work) and molecular dynamics in explicit solvent were observed; 4) in vacuo simulations do not correctly reproduce protein-membrane interactions, and hence should be avoided in modeling membrane proteins. PMID:10233063

  2. TRANSALP 1989 experimental campaign—II. Simulation of a tracer experiment with Lagrangian particle models

    NASA Astrophysics Data System (ADS)

    Anfossi, D.; Desiato, F.; Tinarelli, G.; Brusasca, G.; Ferrero, E.; Sacchetti, D.

    The capability of two 3D Lagrangian particle models (ARCO and SPRAY) in simulating the airborne dispersion in highly complex terrain is tested. The simulations are compared to the tracer experiment TRANSALP-I performed on the 19th of October 1989 in the Alpine region (Canton of Ticino, Switzerland). TRANSALP exercises were part of the EUROTRAC-TRACT Subproject. Tracer was released during one hour (11.00-12.00) near the ground at Iragna, a few kilometres upwind from the bifurcation of two valleys (Leventina and Blenio Valleys); about 40 samplers, located in the two valleys in the range of 40 km, measured 1/2 h average mean concentrations near the ground for five hours. The results of the simulations are presented and discussed. A statistical model evaluation aimed at quantifying the performance of the two models was carried out. The simulations reproduced with a reasonable degree of accuracy the general behaviour of the observed phenomena: the split of the plume between the two valleys, the space and time distribution of the concentration, the concentration maxima locations.

  3. Naturalness in a type II seesaw model and implications for physical scalars

    NASA Astrophysics Data System (ADS)

    Chabab, M.; Peyranère, M. C.; Rahili, L.

    2016-06-01

    In this paper, we consider a minimal extension to the standard model by a scalar triplet field with hypercharge Y =2 . This model relies on the seesaw mechanism which provides a consistent explication of neutrino mass generation. We show from naturalness considerations that the Veltman condition is modified by virtue of the additional scalar charged states and that quadratic divergencies at one loop can be driven to zero within the allowed parameter space of the model; the latter is severely constrained by unitarity and boundedness from below, and it is consistent with the di-photon Higgs decay data of the LHC. Furthermore, we analyze the naturalness condition effects to the masses of heavy Higgs bosons H0, A0, H± and H±±, providing a drastic reduction of the ranges of variation of mH± and mH±± with an upper bounds at 288 and 351 GeV, respectively, while predicting almost a degeneracy for the other neutral Higgs bosons H0, A0 at about 207 GeV.

  4. Ionic distribution around simple B-DNA models II. Deviations from cylindrical symmetry

    NASA Astrophysics Data System (ADS)

    Montoro, Juan Carlos Gil; Abascal, José L. F.

    1998-10-01

    The structure of the ions around two B-DNA models with added monovalent salt at the continuum solvent level is investigated by computer simulation. The salt concentrations cover a wide range, from 0.05 to 4.5 M. The simplicity of the so-called grooved primitive model (unit electron charges at the phosphate positions of canonical DNA and the grooves shape approximated by means of simple geometric elements) enables a detailed study of the counterion and coion distributions with a very small statistical noise. The inhomogeneity of the ionic distributions is noticeable along the axial direction up to distances of about 20 Å from the DNA axis. The counterions deeply penetrate into the DNA grooves even at very low added salt concentrations. In the minor groove, the counterions are preferentially located in its center whereas they lie at the sides of the major groove, close to the phosphate positions. The coions also enter within the major groove, especially in the systems at high added salt concentrations for which regions of absolute negative charge can be found within the groove. This can be explained in terms of an arrangement of ions with alternating charges. The grooved primitive model has also been solved in the context of the finite difference Poisson-Boltzmann theory. The theory accurately describes the ionic structure around DNA at low salt concentrations but the results deteriorate with increasing salt missing important qualitative features at or above molar concentrations. The other model investigated differs from the more detailed one in that the shape of DNA is not taken into account; a soft cylinder is used instead. The counterions accumulate in this model in front of the phosphates and the axial inhomogeneity of the distribution quickly vanishes. These results together with those of previous investigations lead to the conclusion that the coupling of the discrete description of the DNA charge with the steric effects due to the presence of the grooves is

  5. Ionospheric Modelling using GPS to Calibrate the MWA. II: Regional Ionospheric Modelling using GPS and GLONASS to Estimate Ionospheric Gradients

    NASA Astrophysics Data System (ADS)

    Arora, B. S.; Morgan, J.; Ord, S. M.; Tingay, S. J.; Bell, M.; Callingham, J. R.; Dwarakanath, K. S.; For, B.-Q.; Hancock, P.; Hindson, L.; Hurley-Walker, N.; Johnston-Hollitt, M.; Kapińska, A. D.; Lenc, E.; McKinley, B.; Offringa, A. R.; Procopio, P.; Staveley-Smith, L.; Wayth, R. B.; Wu, C.; Zheng, Q.

    2016-07-01

    We estimate spatial gradients in the ionosphere using the Global Positioning System and GLONASS (Russian global navigation system) observations, utilising data from multiple Global Positioning System stations in the vicinity of Murchison Radio-astronomy Observatory. In previous work, the ionosphere was characterised using a single-station to model the ionosphere as a single layer of fixed height and this was compared with ionospheric data derived from radio astronomy observations obtained from the Murchison Widefield Array. Having made improvements to our data quality (via cycle slip detection and repair) and incorporating data from the GLONASS system, we now present a multi-station approach. These two developments significantly improve our modelling of the ionosphere. We also explore the effects of a variable-height model. We conclude that modelling the small-scale features in the ionosphere that have been observed with the MWA will require a much denser network of Global Navigation Satellite System stations than is currently available at the Murchison Radio-astronomy Observatory.

  6. Validation of updated neutronic calculation models proposed for Atucha-II PHWR. Part II: Benchmark comparisons of PUMA core parameters with MCNP5 and improvements due to a simple cell heterogeneity correction

    SciTech Connect

    Grant, C.; Mollerach, R.; Leszczynski, F.; Serra, O.; Marconi, J.; Fink, J.

    2006-07-01

    In 2005 the Argentine Government took the decision to complete the construction of the Atucha-II nuclear power plant, which has been progressing slowly during the last ten years. Atucha-II is a 745 MWe nuclear station moderated and cooled with heavy water, of German (Siemens) design located in Argentina. It has a pressure vessel design with 451 vertical coolant channels and the fuel assemblies (FA) are clusters of 37 natural UO{sub 2} rods with an active length of 530 cm. For the reactor physics area, a revision and update of reactor physics calculation methods and models was recently carried out covering cell, supercell (control rod) and core calculations. This paper presents benchmark comparisons of core parameters of a slightly idealized model of the Atucha-I core obtained with the PUMA reactor code with MCNP5. The Atucha-I core was selected because it is smaller, similar from a neutronic point of view, more symmetric than Atucha-II, and has some experimental data available. To validate the new models benchmark comparisons of k-effective, channel power and axial power distributions obtained with PUMA and MCNP5 have been performed. In addition, a simple cell heterogeneity correction recently introduced in PUMA is presented, which improves significantly the agreement of calculated channel powers with MCNP5. To complete the validation, the calculation of some of the critical configurations of the Atucha-I reactor measured during the experiments performed at first criticality is also presented. (authors)

  7. CO2-induced dissolution of low permeability carbonates. Part II: Numerical modeling of experiments

    NASA Astrophysics Data System (ADS)

    Hao, Yue; Smith, Megan; Sholokhova, Yelena; Carroll, Susan

    2013-12-01

    We used the 3D continuum-scale reactive transport models to simulate eight core flood experiments for two different carbonate rocks. In these experiments the core samples were reacted with brines equilibrated with pCO2 = 3, 2, 1, 0.5 MPa (Smith et al., 2013 [27]). The carbonate rocks were from specific Marly dolostone and Vuggy limestone flow units at the IEAGHG Weyburn-Midale CO2 Monitoring and Storage Project in south-eastern Saskatchewan, Canada. Initial model porosity, permeability, mineral, and surface area distributions were constructed from micro tomography and microscopy characterization data. We constrained model reaction kinetics and porosity-permeability equations with the experimental data. The experimental data included time-dependent solution chemistry and differential pressure measured across the core, and the initial and final pore space and mineral distribution. Calibration of the model with the experimental data allowed investigation of effects of carbonate reactivity, flow velocity, effective permeability, and time on the development and consequences of stable and unstable dissolution fronts. The continuum scale model captured the evolution of distinct dissolution fronts that developed as a consequence of carbonate mineral dissolution and pore scale transport properties. The results show that initial heterogeneity and porosity contrast control the development of the dissolution fronts in these highly reactive systems. This finding is consistent with linear stability analysis and the known positive feedback between mineral dissolution and fluid flow in carbonate formations. Differences in the carbonate kinetic drivers resulting from the range of pCO2 used in the experiments and the different proportions of more reactive calcite and less reactive dolomite contributed to the development of new pore space, but not to the type of dissolution fronts observed for the two different rock types. The development of the dissolution front was much more

  8. Magneto-frictional Modeling of Coronal Nonlinear Force-free Fields. II. Application to Observations

    NASA Astrophysics Data System (ADS)

    Guo, Y.; Xia, C.; Keppens, R.

    2016-09-01

    A magneto-frictional module has been implemented and tested in the Message Passing Interface Adaptive Mesh Refinement Versatile Advection Code (MPI-AMRVAC) in the first paper of this series. Here, we apply the magneto-frictional method to observations to demonstrate its applicability in both Cartesian and spherical coordinates, and in uniform and block-adaptive octree grids. We first reconstruct a nonlinear force-free field (NLFFF) on a uniform grid of 1803 cells in Cartesian coordinates, with boundary conditions provided by the vector magnetic field observed by the Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO) at 06:00 UT on 2010 November 11 in active region NOAA 11123. The reconstructed NLFFF successfully reproduces the sheared and twisted field lines and magnetic null points. Next, we adopt a three-level block-adaptive grid to model the same active region with a higher spatial resolution on the bottom boundary and a coarser treatment of regions higher up. The force-free and divergence-free metrics obtained are comparable to the run with a uniform grid, and the reconstructed field topology is also very similar. Finally, a group of active regions, including NOAA 11401, 11402, 11405, and 11407, observed at 03:00 UT on 2012 January 23 by SDO/HMI is modeled with a five-level block-adaptive grid in spherical coordinates, where we reach a local resolution of 0\\buildrel{\\circ}\\over{.} 06 pixel‑1 in an area of 790 Mm × 604 Mm. Local high spatial resolution and a large field of view in NLFFF modeling can be achieved simultaneously in parallel and block-adaptive magneto-frictional relaxations.

  9. 3D WHOLE-PROMINENCE FINE STRUCTURE MODELING. II. PROMINENCE EVOLUTION

    SciTech Connect

    Gunár, Stanislav; Mackay, Duncan H.

    2015-10-20

    We use the new three-dimensional (3D) whole-prominence fine structure model to study the evolution of prominences and their fine structures in response to changes in the underlying photospheric magnetic flux distribution. The applied model combines a detailed 3D prominence magnetic field configuration with a realistic description of the prominence plasma distributed along multiple fine structures. In addition, we utilize an approximate Hα visualization technique to study the evolution of the visible cool prominence plasma both in emission (prominence) and absorption (filament). We show that the initial magnetic field configuration of the modeled prominence is significantly disturbed by the changing position of a single polarity of a magnetic bipole as the bipole is advected toward the main body of the filament. This leads to the creation of a barb, which becomes the dominant feature visible in the synthetic Hα images of both the prominence and filament views. The evolution of the bipole also creates conditions that lead to the disappearance and reappearance of large portions of the main body. We also show that an arch-like region containing a dark void (a bubble) can be naturally produced in the synthetic prominence Hα images. While not visible in terms of the magnetic field lines, it is due to a lack of Hα emission from low-pressure, low-density plasma located in shallow magnetic dips lying along the lines of sight intersecting the dark void. In addition, a quasi-vertical small-scale feature consisting of short and deep dips, piled one above the other, is produced.

  10. Magneto-frictional Modeling of Coronal Nonlinear Force-free Fields. II. Application to Observations

    NASA Astrophysics Data System (ADS)

    Guo, Y.; Xia, C.; Keppens, R.

    2016-09-01

    A magneto-frictional module has been implemented and tested in the Message Passing Interface Adaptive Mesh Refinement Versatile Advection Code (MPI-AMRVAC) in the first paper of this series. Here, we apply the magneto-frictional method to observations to demonstrate its applicability in both Cartesian and spherical coordinates, and in uniform and block-adaptive octree grids. We first reconstruct a nonlinear force-free field (NLFFF) on a uniform grid of 1803 cells in Cartesian coordinates, with boundary conditions provided by the vector magnetic field observed by the Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO) at 06:00 UT on 2010 November 11 in active region NOAA 11123. The reconstructed NLFFF successfully reproduces the sheared and twisted field lines and magnetic null points. Next, we adopt a three-level block-adaptive grid to model the same active region with a higher spatial resolution on the bottom boundary and a coarser treatment of regions higher up. The force-free and divergence-free metrics obtained are comparable to the run with a uniform grid, and the reconstructed field topology is also very similar. Finally, a group of active regions, including NOAA 11401, 11402, 11405, and 11407, observed at 03:00 UT on 2012 January 23 by SDO/HMI is modeled with a five-level block-adaptive grid in spherical coordinates, where we reach a local resolution of 0\\buildrel{\\circ}\\over{.} 06 pixel-1 in an area of 790 Mm × 604 Mm. Local high spatial resolution and a large field of view in NLFFF modeling can be achieved simultaneously in parallel and block-adaptive magneto-frictional relaxations.

  11. Management of fluid mud in estuaries, bays, and lakes. II: Measurement, modeling, and management

    USGS Publications Warehouse

    McAnally, W.H.; Teeter, A.; Schoellhamer, D.; Friedrichs, C.; Hamilton, D.; Hayter, E.; Shrestha, P.; Rodriguez, H.; Sheremet, A.; Kirby, R.

    2007-01-01

    Techniques for measurement, modeling, and management of fluid mud are available, but research is needed to improve them. Fluid mud can be difficult to detect, measure, or sample, which has led to new instruments and new ways of using existing instruments. Multifrequency acoustic fathometers sense neither density nor viscosity and are, therefore, unreliable in measuring fluid mud. Nuclear density probes, towed sleds, seismic, and drop probes equipped with density meters offer the potential for accurate measurements. Numerical modeling of fluid mud requires solving governing equations for flow velocity, density, pressure, salinity, water surface, plus sediment submodels. A number of such models exist in one-, two-, and three-dimensional form, but they rely on empirical relationships that require substantial site-specific validation to observations. Management of fluid mud techniques can be classified as those that accomplish: Source control, formation control, and removal. Nautical depth, a fourth category, defines the channel bottom as a specific fluid mud density or alternative parameter as safe for navigation. Source control includes watershed management measures to keep fine sediment out of waterways and in-water measures such as structures and traps. Formation control methods include streamlined channels and structures plus other measures to reduce flocculation and structures that train currents. Removal methods include the traditional dredging and transport of dredged material plus agitation that contributes to formation control and/or nautical depth. Conditioning of fluid mud by dredging and aerating offers the possibility of improved navigability. Two examples-the Atchafalaya Bar Channel and Savannah Harbor-illustrate the use of measurements and management of fluid mud. ?? 2007 ASCE.

  12. 3D Whole-prominence Fine Structure Modeling. II. Prominence Evolution

    NASA Astrophysics Data System (ADS)

    Gunár, Stanislav; Mackay, Duncan H.

    2015-10-01

    We use the new three-dimensional (3D) whole-prominence fine structure model to study the evolution of prominences and their fine structures in response to changes in the underlying photospheric magnetic flux distribution. The applied model combines a detailed 3D prominence magnetic field configuration with a realistic description of the prominence plasma distributed along multiple fine structures. In addition, we utilize an approximate Hα visualization technique to study the evolution of the visible cool prominence plasma both in emission (prominence) and absorption (filament). We show that the initial magnetic field configuration of the modeled prominence is significantly disturbed by the changing position of a single polarity of a magnetic bipole as the bipole is advected toward the main body of the filament. This leads to the creation of a barb, which becomes the dominant feature visible in the synthetic Hα images of both the prominence and filament views. The evolution of the bipole also creates conditions that lead to the disappearance and reappearance of large portions of the main body. We also show that an arch-like region containing a dark void (a bubble) can be naturally produced in the synthetic prominence Hα images. While not visible in terms of the magnetic field lines, it is due to a lack of Hα emission from low-pressure, low-density plasma located in shallow magnetic dips lying along the lines of sight intersecting the dark void. In addition, a quasi-vertical small-scale feature consisting of short and deep dips, piled one above the other, is produced.

  13. Transition Region and Chromospheric Signatures of Impulsive Heating Events. II. Modeling

    NASA Astrophysics Data System (ADS)

    Reep, Jeffrey W.; Warren, Harry P.; Crump, Nicholas A.; Simões, Paulo J. A.

    2016-08-01

    Results from the Solar Maximum Mission showed a close connection between the hard X-ray (HXR) and transition region (TR) emission in solar flares. Analogously, the modern combination of RHESSI and IRIS data can inform the details of heating processes in ways that were never before possible. We study a small event that was observed with RHESSI, IRIS, SDO, and Hinode, allowing us to strongly constrain the heating and hydrodynamical properties of the flare, with detailed observations presented in a previous paper. Long duration redshifts of TR lines observed in this event, as well as many other events, are fundamentally incompatible with chromospheric condensation on a single loop. We combine RHESSI and IRIS data to measure the energy partition among the many magnetic strands that comprise the flare. Using that observationally determined energy partition, we show that a proper multithreaded model can reproduce these redshifts in magnitude, duration, and line intensity, while simultaneously being well constrained by the observed density, temperature, and emission measure. We comment on the implications for both RHESSI and IRIS observations of flares in general, namely that: (1) a single loop model is inconsistent with long duration redshifts, among other observables; (2) the average time between energization of strands is less than 10 s, which implies that for a HXR burst lasting 10 minutes, there were at least 60 strands within a single IRIS pixel located on the flare ribbon; (3) the majority of these strands were explosively heated with an energy distribution well described by a power law of slope ≈ -1.6; (4) the multi-stranded model reproduces the observed line profiles, peak temperatures, differential emission measure distributions, and densities.

  14. Modelling of tokamak glow discharge cleaning II: comparison with experiment and application to ITER

    NASA Astrophysics Data System (ADS)

    Kogut, D.; Douai, D.; Hagelaar, G.; Pitts, R. A.

    2015-02-01

    The primary function of the ITER glow discharge cleaning (GDC) system will be the preparation of in-vessel component surfaces prior to the machine start-up. It may also contribute to tritium removal in the nuclear phase. In GDC, conditioning efficiency is strongly dependent on the homogeneity of the flux of ions impinging onto wall surfaces. In order to assess the wall particle flux distribution in ITER, a novel 2D multi-fluid model, described in a companion paper, has recently been developed and is benchmarked here against both experimental glow discharge data obtained in a small laboratory chamber with cylindrical geometry and from two large toroidal devices: the JET tokamak and the RFX reverse field pinch. In the laboratory plasma, simulated and measured plasma electron density and temperature are in a good agreement in the negative glow region, while discrepancies exist in the anode glow, where the fluid description of the model is inaccurate due to long mean free paths of electrons. Calculated and measured ion flux distribution profiles in RFX are found in good agreement, whereas in JET comparison it is more difficult, due to the complex geometry of the first wall which leads to local inhomogeneities in the measured flux. Simulations of H2-GDC for ITER with one or two anodes indicate fairly homogeneous plasma parameters and wall ion flux in the negative glow at 0.5 Pa, a commonly used gas pressure for GDC in existing fusion devices. Although the axisymmetric geometry in the model does not allow all seven ITER anodes to be powered simultaneously in the simulations, the results can be extrapolated to the full system and predict ion current densities on wall surfaces close to the simple expectation of total anode current divided by wall surface area (0.21 A m-2), which is relevant to GDC in JET and other machines.

  15. Species assembly in model ecosystems, II: Results of the assembly process.

    PubMed

    Capitán, José A; Cuesta, José A; Bascompte, Jordi

    2011-01-21

    In the companion paper of this set (Capitán and Cuesta, 2010) we have developed a full analytical treatment of the model of species assembly introduced in Capitán et al. (2009). This model is based on the construction of an assembly graph containing all viable configurations of the community, and the definition of a Markov chain whose transitions are the transformations of communities by new species invasions. In the present paper we provide an exhaustive numerical analysis of the model, describing the average time to the recurrent state, the statistics of avalanches, and the dependence of the results on the amount of available resource. Our results are based on the fact that the Markov chain provides an asymptotic probability distribution for the recurrent states, which can be used to obtain averages of observables as well as the time variation of these magnitudes during succession, in an exact manner. Since the absorption times into the recurrent set are found to be comparable to the size of the system, the end state is quickly reached (in units of the invasion time). Thus, the final ecosystem can be regarded as a fluctuating complex system where species are continually replaced by newcomers without ever leaving the set of recurrent patterns. The assembly graph is dominated by pathways in which most invasions are accepted, triggering small extinction avalanches. Through the assembly process, communities become less resilient (e.g., have a higher return time to equilibrium) but become more robust in terms of resistance against new invasions.

  16. Mars atmospheric dynamics as simulated by the NASA AMES General Circulation Model. II - Transient baroclinic eddies

    NASA Astrophysics Data System (ADS)

    Barnes, J. R.; Pollack, J. B.; Haberle, R. M.; Leovy, C. B.; Zurek, R. W.; Lee, H.; Schaeffer, J.

    1993-02-01

    A large set of experiments performed with the NASA Ames Mars General Circulation Model is analyzed to determine the properties, structure, and dynamics of the simulated transient baroclinic eddies. There is strong transient baroclinic eddy activity in the extratropics of the Northern Hemisphere during the northern autumn, winter, and spring seasons. The eddy activity remains strong for very large dust loadings, though it shifts northward. The eastward propagating eddies are characterized by zonal wavenumbers of 1-4 and periods of about 2-10 days. The properties of the GCM baroclinic eddies in the northern extratropics are compared in detail with analogous properties inferred from Viking Lander meteorology observations.

  17. Inelastic models of lithospheric stress - II. Implications for outer-rise seismicity and dynamics

    USGS Publications Warehouse

    Mueller, S.; Spence, W.; Choy, G.L.

    1996-01-01

    Outer-rise seismicity and dynamics are examined using inelastic models of lithospheric deformation, which allow a more realistic characterization of stress distributions and failure behaviour. We conclude that thrust- and normal-faulting outer-rise earthquakes represent substantially different states of stress within the oceanic lithosphere. Specifically, the normal-faulting events occur in response to downward plate bending, which establishes the 'standard', bending-dominated state of outer-rise stress, and the thrust-faulting events occur in response to an elevated level of in-plane compression, which develops only in response to exceptional circumstances. This interpretation accounts for the observation that normal-faulting outer-rise earthquakes occur more frequently and are more widely distributed than their thrust-fau