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Sample records for oxidant model version

  1. The Unified Extensional Versioning Model

    DEFF Research Database (Denmark)

    Asklund, U.; Bendix, Lars Gotfred; Christensen, H. B.

    1999-01-01

    Versioning of components in a system is a well-researched field where various adequate techniques have already been established. In this paper, we look at how versioning can be extended to cover also the structural aspects of a system. There exist two basic techniques for versioning - intentional...

  2. Versions of the Waste Reduction Model (WARM)

    Science.gov (United States)

    This page provides a brief chronology of changes made to EPA’s Waste Reduction Model (WARM), organized by WARM version number. The page includes brief summaries of changes and updates since the previous version.

  3. Model-based version management system framework

    International Nuclear Information System (INIS)

    Mehmood, W.

    2016-01-01

    In this paper we present a model-based version management system. Version Management System (VMS) a branch of software configuration management (SCM) aims to provide a controlling mechanism for evolution of software artifacts created during software development process. Controlling the evolution requires many activities to perform, such as, construction and creation of versions, identification of differences between versions, conflict detection and merging. Traditional VMS systems are file-based and consider software systems as a set of text files. File based VMS systems are not adequate for performing software configuration management activities such as, version control on software artifacts produced in earlier phases of the software life cycle. New challenges of model differencing, merge, and evolution control arise while using models as central artifact. The goal of this work is to present a generic framework model-based VMS which can be used to overcome the problem of tradition file-based VMS systems and provide model versioning services. (author)

  4. Modeling report of DYMOND code (DUPIC version)

    International Nuclear Information System (INIS)

    Park, Joo Hwan; Yacout, Abdellatif M.

    2003-04-01

    The DYMOND code employs the ITHINK dynamic modeling platform to assess the 100-year dynamic evolution scenarios for postulated global nuclear energy parks. Firstly, DYMOND code has been developed by ANL(Argonne National Laboratory) to perform the fuel cycle analysis of LWR once-through and LWR-FBR mixed plant. Since the extensive application of DYMOND code has been requested, the first version of DYMOND has been modified to adapt the DUPIC, MSR and RTF fuel cycle. DYMOND code is composed of three parts; the source language platform, input supply and output. But those platforms are not clearly distinguished. This report described all the equations which were modeled in the modified DYMOND code (which is called as DYMOND-DUPIC version). It divided into five parts;Part A deals model in reactor history which is included amount of the requested fuels and spent fuels. Part B aims to describe model of fuel cycle about fuel flow from the beginning to the end of fuel cycle. Part C is for model in re-processing which is included recovery of burned uranium, plutonium, minor actinide and fission product as well as the amount of spent fuels in storage and disposal. Part D is for model in other fuel cycle which is considered the thorium fuel cycle for MSR and RTF reactor. Part E is for model in economics. This part gives all the information of cost such as uranium mining cost, reactor operating cost, fuel cost etc

  5. Modeling report of DYMOND code (DUPIC version)

    Energy Technology Data Exchange (ETDEWEB)

    Park, Joo Hwan [KAERI, Taejon (Korea, Republic of); Yacout, Abdellatif M [Argonne National Laboratory, Ilinois (United States)

    2003-04-01

    The DYMOND code employs the ITHINK dynamic modeling platform to assess the 100-year dynamic evolution scenarios for postulated global nuclear energy parks. Firstly, DYMOND code has been developed by ANL(Argonne National Laboratory) to perform the fuel cycle analysis of LWR once-through and LWR-FBR mixed plant. Since the extensive application of DYMOND code has been requested, the first version of DYMOND has been modified to adapt the DUPIC, MSR and RTF fuel cycle. DYMOND code is composed of three parts; the source language platform, input supply and output. But those platforms are not clearly distinguished. This report described all the equations which were modeled in the modified DYMOND code (which is called as DYMOND-DUPIC version). It divided into five parts;Part A deals model in reactor history which is included amount of the requested fuels and spent fuels. Part B aims to describe model of fuel cycle about fuel flow from the beginning to the end of fuel cycle. Part C is for model in re-processing which is included recovery of burned uranium, plutonium, minor actinide and fission product as well as the amount of spent fuels in storage and disposal. Part D is for model in other fuel cycle which is considered the thorium fuel cycle for MSR and RTF reactor. Part E is for model in economics. This part gives all the information of cost such as uranium mining cost, reactor operating cost, fuel cost etc.

  6. Forsmark - site descriptive model version 0

    International Nuclear Information System (INIS)

    2002-10-01

    During 2002, the Swedish Nuclear Fuel and Waste Management Company (SKB) is starting investigations at two potential sites for a deep repository in the Precambrian basement of the Fennoscandian Shield. The present report concerns one of those sites, Forsmark, which lies in the municipality of Oesthammar, on the east coast of Sweden, about 150 kilometres north of Stockholm. The site description should present all collected data and interpreted parameters of importance for the overall scientific understanding of the site, for the technical design and environmental impact assessment of the deep repository, and for the assessment of long-term safety. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. The site descriptive models are devised and stepwise updated as the site investigations proceed. The point of departure for this process is the regional site descriptive model, version 0, which is the subject of the present report. Version 0 is developed out of the information available at the start of the site investigation. This information, with the exception of data from tunnels and drill holes at the sites of the Forsmark nuclear reactors and the underground low-middle active radioactive waste storage facility, SFR, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. For this reason, the Forsmark site descriptive model, version 0, as detailed in the present report, has been developed at a regional scale. It covers a rectangular area, 15 km in a southwest-northeast and 11 km in a northwest-southeast direction, around the

  7. Reduced-Order Model for the Geochemical Impacts of Carbon Dioxide, Brine and Trace Metal Leakage into an Unconfined, Oxidizing Carbonate Aquifer, Version 2.1

    Energy Technology Data Exchange (ETDEWEB)

    Bacon, Diana H.

    2013-03-31

    The National Risk Assessment Partnership (NRAP) consists of 5 U.S DOE national laboratories collaborating to develop a framework for predicting the risks associated with carbon sequestration. The approach taken by NRAP is to divide the system into components, including injection target reservoirs, wellbores, natural pathways including faults and fractures, groundwater and the atmosphere. Next, develop a detailed, physics and chemistry-based model of each component. Using the results of the detailed models, develop efficient, simplified models, termed reduced order models (ROM) for each component. Finally, integrate the component ROMs into a system model that calculates risk profiles for the site. This report details the development of the Groundwater Geochemistry ROM for the Edwards Aquifer at PNNL. The Groundwater Geochemistry ROM for the Edwards Aquifer uses a Wellbore Leakage ROM developed at LANL as input. The detailed model, using the STOMP simulator, covers a 5x8 km area of the Edwards Aquifer near San Antonio, Texas. The model includes heterogeneous hydraulic properties, and equilibrium, kinetic and sorption reactions between groundwater, leaked CO2 gas, brine, and the aquifer carbonate and clay minerals. Latin Hypercube sampling was used to generate 1024 samples of input parameters. For each of these input samples, the STOMP simulator was used to predict the flux of CO2 to the atmosphere, and the volume, length and width of the aquifer where pH was less than the MCL standard, and TDS, arsenic, cadmium and lead exceeded MCL standards. In order to decouple the Wellbore Leakage ROM from the Groundwater Geochemistry ROM, the response surface was transformed to replace Wellbore Leakage ROM input parameters with instantaneous and cumulative CO2 and brine leakage rates. The most sensitive parameters proved to be the CO2 and brine leakage rates from the well, with equilibrium coefficients for calcite and dolomite, as well as the number of illite and kaolinite

  8. Forsmark - site descriptive model version 0

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-10-01

    During 2002, the Swedish Nuclear Fuel and Waste Management Company (SKB) is starting investigations at two potential sites for a deep repository in the Precambrian basement of the Fennoscandian Shield. The present report concerns one of those sites, Forsmark, which lies in the municipality of Oesthammar, on the east coast of Sweden, about 150 kilometres north of Stockholm. The site description should present all collected data and interpreted parameters of importance for the overall scientific understanding of the site, for the technical design and environmental impact assessment of the deep repository, and for the assessment of long-term safety. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. The site descriptive models are devised and stepwise updated as the site investigations proceed. The point of departure for this process is the regional site descriptive model, version 0, which is the subject of the present report. Version 0 is developed out of the information available at the start of the site investigation. This information, with the exception of data from tunnels and drill holes at the sites of the Forsmark nuclear reactors and the underground low-middle active radioactive waste storage facility, SFR, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. For this reason, the Forsmark site descriptive model, version 0, as detailed in the present report, has been developed at a regional scale. It covers a rectangular area, 15 km in a southwest-northeast and 11 km in a northwest-southeast direction, around the

  9. Simpevarp - site descriptive model version 0

    International Nuclear Information System (INIS)

    2002-11-01

    During 2002, SKB is starting detailed investigations at two potential sites for a deep repository in the Precambrian rocks of the Fennoscandian Shield. The present report concerns one of those sites, Simpevarp, which lies in the municipality of Oskarshamn, on the southeast coast of Sweden, about 250 kilometres south of Stockholm. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. SKB maintains two main databases at the present time, a site characterisation database called SICADA and a geographic information system called SKB GIS. The site descriptive model will be developed and presented with the aid of the SKB GIS capabilities, and with SKBs Rock Visualisation System (RVS), which is also linked to SICADA. The version 0 model forms an important framework for subsequent model versions, which are developed successively, as new information from the site investigations becomes available. Version 0 is developed out of the information available at the start of the site investigation. In the case of Simpevarp, this is essentially the information which was compiled for the Oskarshamn feasibility study, which led to the choice of that area as a favourable object for further study, together with information collected since its completion. This information, with the exception of the extensive data base from the nearby Aespoe Hard Rock Laboratory, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. Against this background, the present report consists of the following components: an overview of the present content of the databases

  10. Simpevarp - site descriptive model version 0

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-11-01

    During 2002, SKB is starting detailed investigations at two potential sites for a deep repository in the Precambrian rocks of the Fennoscandian Shield. The present report concerns one of those sites, Simpevarp, which lies in the municipality of Oskarshamn, on the southeast coast of Sweden, about 250 kilometres south of Stockholm. The site description will have two main components: a written synthesis of the site, summarising the current state of knowledge, as documented in the databases containing the primary data from the site investigations, and one or several site descriptive models, in which the collected information is interpreted and presented in a form which can be used in numerical models for rock engineering, environmental impact and long-term safety assessments. SKB maintains two main databases at the present time, a site characterisation database called SICADA and a geographic information system called SKB GIS. The site descriptive model will be developed and presented with the aid of the SKB GIS capabilities, and with SKBs Rock Visualisation System (RVS), which is also linked to SICADA. The version 0 model forms an important framework for subsequent model versions, which are developed successively, as new information from the site investigations becomes available. Version 0 is developed out of the information available at the start of the site investigation. In the case of Simpevarp, this is essentially the information which was compiled for the Oskarshamn feasibility study, which led to the choice of that area as a favourable object for further study, together with information collected since its completion. This information, with the exception of the extensive data base from the nearby Aespoe Hard Rock Laboratory, is mainly 2D in nature (surface data), and is general and regional, rather than site-specific, in content. Against this background, the present report consists of the following components: an overview of the present content of the databases

  11. Version control of pathway models using XML patches.

    Science.gov (United States)

    Saffrey, Peter; Orton, Richard

    2009-03-17

    Computational modelling has become an important tool in understanding biological systems such as signalling pathways. With an increase in size complexity of models comes a need for techniques to manage model versions and their relationship to one another. Model version control for pathway models shares some of the features of software version control but has a number of differences that warrant a specific solution. We present a model version control method, along with a prototype implementation, based on XML patches. We show its application to the EGF/RAS/RAF pathway. Our method allows quick and convenient storage of a wide range of model variations and enables a thorough explanation of these variations. Trying to produce these results without such methods results in slow and cumbersome development that is prone to frustration and human error.

  12. Model Adequacy Analysis of Matching Record Versions in Nosql Databases

    Directory of Open Access Journals (Sweden)

    E. V. Tsviashchenko

    2015-01-01

    Full Text Available The article investigates a model of matching record versions. The goal of this work is to analyse the model adequacy. This model allows estimating a user’s processing time distribution of the record versions and a distribution of the record versions count. The second option of the model was used, according to which, for a client the time to process record versions depends explicitly on the number of updates, performed by the other users between the sequential updates performed by a current client. In order to prove the model adequacy the real experiment was conducted in the cloud cluster. The cluster contains 10 virtual nodes, provided by DigitalOcean Company. The Ubuntu Server 14.04 was used as an operating system (OS. The NoSQL system Riak was chosen for experiments. In the Riak 2.0 version and later provide “dotted vector versions” (DVV option, which is an extension of the classic vector clock. Their use guarantees, that the versions count, simultaneously stored in DB, will not exceed the count of clients, operating in parallel with a record. This is very important while conducting experiments. For developing the application the java library, provided by Riak, was used. The processes run directly on the nodes. In experiment two records were used. They are: Z – the record, versions of which are handled by clients; RZ – service record, which contains record update counters. The application algorithm can be briefly described as follows: every client reads versions of the record Z, processes its updates using the RZ record counters, and saves treated record in database while old versions are deleted form DB. Then, a client rereads the RZ record and increments counters of updates for the other clients. After that, a client rereads the Z record, saves necessary statistics, and deliberates the results of processing. In the case of emerging conflict because of simultaneous updates of the RZ record, the client obtains all versions of that

  13. Solar Advisor Model User Guide for Version 2.0

    Energy Technology Data Exchange (ETDEWEB)

    Gilman, P.; Blair, N.; Mehos, M.; Christensen, C.; Janzou, S.; Cameron, C.

    2008-08-01

    The Solar Advisor Model (SAM) provides a consistent framework for analyzing and comparing power system costs and performance across the range of solar technologies and markets, from photovoltaic systems for residential and commercial markets to concentrating solar power and large photovoltaic systems for utility markets. This manual describes Version 2.0 of the software, which can model photovoltaic and concentrating solar power technologies for electric applications for several markets. The current version of the Solar Advisor Model does not model solar heating and lighting technologies.

  14. The ONKALO area model. Version 1

    International Nuclear Information System (INIS)

    Kemppainen, K.; Ahokas, T.; Ahokas, H.; Paulamaeki, S.; Paananen, M.; Gehoer, S.; Front, K.

    2007-11-01

    The geological model of the ONKALO area consists of three submodels: the lithological model, the brittle deformation model and the alteration model. The lithological model gives properties of definite rock units that can be defined on the basis the migmatite structures, textures and modal compositions. The brittle deformation model describes the results of brittle deformation, where geophysical and hydrogeological results are added. The alteration model describes occurrence of different alteration types and its possible effects. The rocks of Olkiluoto can be divided into two major classes: (1) supracrustal high-grade metamorphic rocks including various migmatitic gneisses, tonalitic-granodioriticgranitic gneisses, mica gneisses, quartz gneisses and mafic gneisses, and (2) igneous rocks including pegmatitic granites and diabase dykes. The migmatitic gneisses can further be divided into three subgroups in terms of the type of migmatite structure: veined gneisses, stromatic gneisses and diatexitic gneisses. On the basis of refolding and crosscutting relationships, the metamorphic supracrustal rocks have been subject to polyphased ductile deformation, including five stages. In 3D modelling of the lithological units, an assumption has been made, on the basis of measurements in outcrops, investigation trenches and drill cores, that the pervasive, composite foliation produced as a result a polyphase ductile deformation has a rather constant attitude in the ONKALO area. Consequently, the strike and dip of the foliation has been used as a tool, through which the lithologies have been correlated between the drillholes and from the surface to the drillholes. The bedrock in the Olkiluoto site has been subject to extensive hydrothermal alteration, which has taken place at reasonably low temperature conditions, the estimated temperature interval being from slightly over 300 deg C to less than 100 deg C. Two types of alteration can be observed: (1) pervasive (disseminated

  15. Micro dosimetry model. An extended version

    International Nuclear Information System (INIS)

    Vroegindewey, C.

    1994-07-01

    In an earlier study a relative simple mathematical model has been constructed to simulate the energy transfer on a cellular scale and thus gain insight in the fundamental processes of BNCT. Based on this work, a more realistic micro dosimetry model is developed. The new facets of the model are: the treatment of proton recoil, the calculation of the distribution of energy depositions, and the determination of the number of particles crossing the target nucleus subdivided in place of origin. Besides these extensions, new stopping power tables for the emitted particles are generated and biased Monte Carlo techniques are used to reduce computer time. (orig.)

  16. Oxidative desulfurization: kinetic modelling.

    Science.gov (United States)

    Dhir, S; Uppaluri, R; Purkait, M K

    2009-01-30

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H(2)O(2) over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel.

  17. Oxidative desulfurization: Kinetic modelling

    International Nuclear Information System (INIS)

    Dhir, S.; Uppaluri, R.; Purkait, M.K.

    2009-01-01

    Increasing environmental legislations coupled with enhanced production of petroleum products demand, the deployment of novel technologies to remove organic sulfur efficiently. This work represents the kinetic modeling of ODS using H 2 O 2 over tungsten-containing layered double hydroxide (LDH) using the experimental data provided by Hulea et al. [V. Hulea, A.L. Maciuca, F. Fajula, E. Dumitriu, Catalytic oxidation of thiophenes and thioethers with hydrogen peroxide in the presence of W-containing layered double hydroxides, Appl. Catal. A: Gen. 313 (2) (2006) 200-207]. The kinetic modeling approach in this work initially targets the scope of the generation of a superstructure of micro-kinetic reaction schemes and models assuming Langmuir-Hinshelwood (LH) and Eley-Rideal (ER) mechanisms. Subsequently, the screening and selection of above models is initially based on profile-based elimination of incompetent schemes followed by non-linear regression search performed using the Levenberg-Marquardt algorithm (LMA) for the chosen models. The above analysis inferred that Eley-Rideal mechanism describes the kinetic behavior of ODS process using tungsten-containing LDH, with adsorption of reactant and intermediate product only taking place on the catalyst surface. Finally, an economic index is presented that scopes the economic aspects of the novel catalytic technology with the parameters obtained during regression analysis to conclude that the cost factor for the catalyst is 0.0062-0.04759 US $ per barrel

  18. Smart Grid Interoperability Maturity Model Beta Version

    Energy Technology Data Exchange (ETDEWEB)

    Widergren, Steven E.; Drummond, R.; Giroti, Tony; Houseman, Doug; Knight, Mark; Levinson, Alex; longcore, Wayne; Lowe, Randy; Mater, J.; Oliver, Terry V.; Slack, Phil; Tolk, Andreas; Montgomery, Austin

    2011-12-02

    The GridWise Architecture Council was formed by the U.S. Department of Energy to promote and enable interoperability among the many entities that interact with the electric power system. This balanced team of industry representatives proposes principles for the development of interoperability concepts and standards. The Council provides industry guidance and tools that make it an available resource for smart grid implementations. In the spirit of advancing interoperability of an ecosystem of smart grid devices and systems, this document presents a model for evaluating the maturity of the artifacts and processes that specify the agreement of parties to collaborate across an information exchange interface. You are expected to have a solid understanding of large, complex system integration concepts and experience in dealing with software component interoperation. Those without this technical background should read the Executive Summary for a description of the purpose and contents of the document. Other documents, such as checklists, guides, and whitepapers, exist for targeted purposes and audiences. Please see the www.gridwiseac.org website for more products of the Council that may be of interest to you.

  19. IDC Use Case Model Survey Version 1.1.

    Energy Technology Data Exchange (ETDEWEB)

    Harris, James Mark [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Carr, Dorthe B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2015-02-01

    This document contains the brief descriptions for the actors and use cases contained in the IDC Use Case Model. REVISIONS Version Date Author/Team Revision Description Authorized by V1.0 12/2014 SNL IDC Reengineering Project Team Initial delivery M. Harris V1.1 2/2015 SNL IDC Reengineering Project Team Iteration I2 Review Comments M. Harris

  20. IDC Use Case Model Survey Version 1.0.

    Energy Technology Data Exchange (ETDEWEB)

    Carr, Dorthe B.; Harris, James M.

    2014-12-01

    This document contains the brief descriptions for the actors and use cases contained in the IDC Use Case Model Survey. REVISIONS Version Date Author/Team Revision Description Authorized by V1.0 12/2014 IDC Re- engineering Project Team Initial delivery M. Harris

  1. A conceptual model specification language (CMSL Version 2)

    NARCIS (Netherlands)

    Wieringa, Roelf J.

    1992-01-01

    Version 2 of a language (CMSL) to specify conceptual models is defined. CMSL consists of two parts, the value specification language VSL and the object spercification language OSL. There is a formal semantics and an inference system for CMSL but research on this still continues. A method for

  2. Fiscal impacts model documentation. Version 1.0

    International Nuclear Information System (INIS)

    Beck, S.L.; Scott, M.J.

    1986-05-01

    The Fiscal Impacts (FI) Model, Version 1.0 was developed under Pacific Northwest Laboratory's Monitored Retrievable Storage (MRS) Program to aid in development of the MRS Reference Site Environmental Document (PNL 5476). It computes estimates of 182 fiscal items for state and local government jurisdictions, using input data from the US Census Bureau's 1981 Survey of Governments and local population forecasts. The model can be adapted for any county or group of counties in the United States

  3. ONKALO rock mechanics model (RMM). Version 2.3

    Energy Technology Data Exchange (ETDEWEB)

    Haekkinen, T.; Merjama, S.; Moenkkoenen, H. [WSP Finland, Helsinki (Finland)

    2014-07-15

    The Rock Mechanics Model of the ONKALO rock volume includes the most important rock mechanics features and parameters at the Olkiluoto site. The main objective of the model is to be a tool to predict rock properties, rock quality and hence provide an estimate for the rock stability of the potential repository at Olkiluoto. The model includes a database of rock mechanics raw data and a block model in which the rock mechanics parameters are estimated through block volumes based on spatial rock mechanics raw data. In this version 2.3, special emphasis was placed on refining the estimation of the block model. The model was divided into rock mechanics domains which were used as constraints during the block model estimation. During the modelling process, a display profile and toolbar were developed for the GEOVIA Surpac software to improve visualisation and access to the rock mechanics data for the Olkiluoto area. (orig.)

  4. Latest NASA Instrument Cost Model (NICM): Version VI

    Science.gov (United States)

    Mrozinski, Joe; Habib-Agahi, Hamid; Fox, George; Ball, Gary

    2014-01-01

    The NASA Instrument Cost Model, NICM, is a suite of tools which allow for probabilistic cost estimation of NASA's space-flight instruments at both the system and subsystem level. NICM also includes the ability to perform cost by analogy as well as joint confidence level (JCL) analysis. The latest version of NICM, Version VI, was released in Spring 2014. This paper will focus on the new features released with NICM VI, which include: 1) The NICM-E cost estimating relationship, which is applicable for instruments flying on Explorer-like class missions; 2) The new cluster analysis ability which, alongside the results of the parametric cost estimation for the user's instrument, also provides a visualization of the user's instrument's similarity to previously flown instruments; and 3) includes new cost estimating relationships for in-situ instruments.

  5. Solid Waste Projection Model: Database (Version 1.3)

    International Nuclear Information System (INIS)

    Blackburn, C.L.

    1991-11-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC). The SWPM system provides a modeling and analysis environment that supports decisions in the process of evaluating various solid waste management alternatives. This document, one of a series describing the SWPM system, contains detailed information regarding the software and data structures utilized in developing the SWPM Version 1.3 Database. This document is intended for use by experienced database specialists and supports database maintenance, utility development, and database enhancement

  6. Some Remarks on Stochastic Versions of the Ramsey Growth Model

    Czech Academy of Sciences Publication Activity Database

    Sladký, Karel

    2012-01-01

    Roč. 19, č. 29 (2012), s. 139-152 ISSN 1212-074X R&D Projects: GA ČR GAP402/10/1610; GA ČR GAP402/10/0956; GA ČR GAP402/11/0150 Institutional support: RVO:67985556 Keywords : Economic dynamics * Ramsey growth model with disturbance * stochastic dynamic programming * multistage stochastic programs Subject RIV: BB - Applied Statistics, Operational Research http://library.utia.cas.cz/separaty/2013/E/sladky-some remarks on stochastic versions of the ramsey growth model.pdf

  7. H2A Production Model, Version 2 User Guide

    Energy Technology Data Exchange (ETDEWEB)

    Steward, D.; Ramsden, T.; Zuboy, J.

    2008-09-01

    The H2A Production Model analyzes the technical and economic aspects of central and forecourt hydrogen production technologies. Using a standard discounted cash flow rate of return methodology, it determines the minimum hydrogen selling price, including a specified after-tax internal rate of return from the production technology. Users have the option of accepting default technology input values--such as capital costs, operating costs, and capacity factor--from established H2A production technology cases or entering custom values. Users can also modify the model's financial inputs. This new version of the H2A Production Model features enhanced usability and functionality. Input fields are consolidated and simplified. New capabilities include performing sensitivity analyses and scaling analyses to various plant sizes. This User Guide helps users already familiar with the basic tenets of H2A hydrogen production cost analysis get started using the new version of the model. It introduces the basic elements of the model then describes the function and use of each of its worksheets.

  8. Integrated Farm System Model Version 4.3 and Dairy Gas Emissions Model Version 3.3 Software development and distribution

    Science.gov (United States)

    Modeling routines of the Integrated Farm System Model (IFSM version 4.2) and Dairy Gas Emission Model (DairyGEM version 3.2), two whole-farm simulation models developed and maintained by USDA-ARS, were revised with new components for: (1) simulation of ammonia (NH3) and greenhouse gas emissions gene...

  9. Break model comparison in different RELAP5 versions

    International Nuclear Information System (INIS)

    Parzer, I.

    2003-01-01

    The presented work focuses on the break flow prediction in RELAP5/MOD3 code, which is crucial to predict core uncovering and heatup during the Small Break Loss-of-Coolant Accidents (SB LOCA). The code prediction has been compared to the IAEA-SPE-4 experiments conducted on the PMK-2 integral test facilities in Hungary. The simulations have been performed with MOD3.2.2 Beta, MOD3.2.2 Gamma, MOD3.3 Beta and MOD3.3 frozen code version. In the present work we have compared the Ransom-Trapp and Henry-Fauske break model predictions. Additionally, both model predictions have been compared to itself, when used as the main modeling tool or when used as another code option, as so-called 'secret developmental options' on input card no.1. (author)

  10. GLEAM version 3: Global Land Evaporation Datasets and Model

    Science.gov (United States)

    Martens, B.; Miralles, D. G.; Lievens, H.; van der Schalie, R.; de Jeu, R.; Fernandez-Prieto, D.; Verhoest, N.

    2015-12-01

    Terrestrial evaporation links energy, water and carbon cycles over land and is therefore a key variable of the climate system. However, the global-scale magnitude and variability of the flux, and the sensitivity of the underlying physical process to changes in environmental factors, are still poorly understood due to limitations in in situ measurements. As a result, several methods have risen to estimate global patterns of land evaporation from satellite observations. However, these algorithms generally differ in their approach to model evaporation, resulting in large differences in their estimates. One of these methods is GLEAM, the Global Land Evaporation: the Amsterdam Methodology. GLEAM estimates terrestrial evaporation based on daily satellite observations of meteorological variables, vegetation characteristics and soil moisture. Since the publication of the first version of the algorithm (2011), the model has been widely applied to analyse trends in the water cycle and land-atmospheric feedbacks during extreme hydrometeorological events. A third version of the GLEAM global datasets is foreseen by the end of 2015. Given the relevance of having a continuous and reliable record of global-scale evaporation estimates for climate and hydrological research, the establishment of an online data portal to host these data to the public is also foreseen. In this new release of the GLEAM datasets, different components of the model have been updated, with the most significant change being the revision of the data assimilation algorithm. In this presentation, we will highlight the most important changes of the methodology and present three new GLEAM datasets and their validation against in situ observations and an alternative dataset of terrestrial evaporation (ERA-Land). Results of the validation exercise indicate that the magnitude and the spatiotemporal variability of the modelled evaporation agree reasonably well with the estimates of ERA-Land and the in situ

  11. Solid Waste Projection Model: Database (Version 1.4)

    International Nuclear Information System (INIS)

    Blackburn, C.; Cillan, T.

    1993-09-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC). The SWPM system provides a modeling and analysis environment that supports decisions in the process of evaluating various solid waste management alternatives. This document, one of a series describing the SWPM system, contains detailed information regarding the software and data structures utilized in developing the SWPM Version 1.4 Database. This document is intended for use by experienced database specialists and supports database maintenance, utility development, and database enhancement. Those interested in using the SWPM database should refer to the SWPM Database User's Guide. This document is available from the PNL Task M Project Manager (D. L. Stiles, 509-372-4358), the PNL Task L Project Manager (L. L. Armacost, 509-372-4304), the WHC Restoration Projects Section Manager (509-372-1443), or the WHC Waste Characterization Manager (509-372-1193)

  12. Main modelling features of the ASTEC V2.1 major version

    International Nuclear Information System (INIS)

    Chatelard, P.; Belon, S.; Bosland, L.; Carénini, L.; Coindreau, O.; Cousin, F.; Marchetto, C.; Nowack, H.; Piar, L.; Chailan, L.

    2016-01-01

    Highlights: • Recent modelling improvements of the ASTEC European severe accident code are outlined. • Key new physical models now available in the ASTEC V2.1 major version are described. • ASTEC progress towards a multi-design reactor code is illustrated for BWR and PHWR. • ASTEC strong link with the on-going EC CESAM FP7 project is emphasized. • Main remaining modelling issues (on which IRSN efforts are now directing) are given. - Abstract: A new major version of the European severe accident integral code ASTEC, developed by IRSN with some GRS support, was delivered in November 2015 to the ASTEC worldwide community. Main modelling features of this V2.1 version are summarised in this paper. In particular, the in-vessel coupling technique between the reactor coolant system thermal-hydraulics module and the core degradation module has been strongly re-engineered to remove some well-known weaknesses of the former V2.0 series. The V2.1 version also includes new core degradation models specifically addressing BWR and PHWR reactor types, as well as several other physical modelling improvements, notably on reflooding of severely damaged cores, Zircaloy oxidation under air atmosphere, corium coolability during corium concrete interaction and source term evaluation. Moreover, this V2.1 version constitutes the back-bone of the CESAM FP7 project, which final objective is to further improve ASTEC for use in Severe Accident Management analysis of the Gen.II–III nuclear power plants presently under operation or foreseen in near future in Europe. As part of this European project, IRSN efforts to continuously improve both code numerical robustness and computing performances at plant scale as well as users’ tools are being intensified. Besides, ASTEC will continue capitalising the whole knowledge on severe accidents phenomenology by progressively keeping physical models at the state of the art through a regular feed-back from the interpretation of the current and

  13. Empirical soot formation and oxidation model

    Directory of Open Access Journals (Sweden)

    Boussouara Karima

    2009-01-01

    Full Text Available Modelling internal combustion engines can be made following different approaches, depending on the type of problem to be simulated. A diesel combustion model has been developed and implemented in a full cycle simulation of a combustion, model accounts for transient fuel spray evolution, fuel-air mixing, ignition, combustion, and soot pollutant formation. The models of turbulent combustion of diffusion flame, apply to diffusion flames, which one meets in industry, typically in the diesel engines particulate emission represents one of the most deleterious pollutants generated during diesel combustion. Stringent standards on particulate emission along with specific emphasis on size of emitted particulates have resulted in increased interest in fundamental understanding of the mechanisms of soot particulate formation and oxidation in internal combustion engines. A phenomenological numerical model which can predict the particle size distribution of the soot emitted will be very useful in explaining the above observed results and will also be of use to develop better particulate control techniques. A diesel engine chosen for simulation is a version of the Caterpillar 3406. We are interested in employing a standard finite-volume computational fluid dynamics code, KIVA3V-RELEASE2.

  14. Land-Use Portfolio Modeler, Version 1.0

    Science.gov (United States)

    Taketa, Richard; Hong, Makiko

    2010-01-01

    -on-investment. The portfolio model, now known as the Land-Use Portfolio Model (LUPM), provided the framework for the development of the Land-Use Portfolio Modeler, Version 1.0 software (LUPM v1.0). The software provides a geographic information system (GIS)-based modeling tool for evaluating alternative risk-reduction mitigation strategies for specific natural-hazard events. The modeler uses information about a specific natural-hazard event and the features exposed to that event within the targeted study region to derive a measure of a given mitigation strategy`s effectiveness. Harnessing the spatial capabilities of a GIS enables the tool to provide a rich, interactive mapping environment in which users can create, analyze, visualize, and compare different

  15. BehavePlus fire modeling system, version 5.0: Variables

    Science.gov (United States)

    Patricia L. Andrews

    2009-01-01

    This publication has been revised to reflect updates to version 4.0 of the BehavePlus software. It was originally published as the BehavePlus fire modeling system, version 4.0: Variables in July, 2008.The BehavePlus fire modeling system is a computer program based on mathematical models that describe wildland fire behavior and effects and the...

  16. NETPATH-WIN: an interactive user version of the mass-balance model, NETPATH

    Science.gov (United States)

    El-Kadi, A. I.; Plummer, Niel; Aggarwal, P.

    2011-01-01

    NETPATH-WIN is an interactive user version of NETPATH, an inverse geochemical modeling code used to find mass-balance reaction models that are consistent with the observed chemical and isotopic composition of waters from aquatic systems. NETPATH-WIN was constructed to migrate NETPATH applications into the Microsoft WINDOWS® environment. The new version facilitates model utilization by eliminating difficulties in data preparation and results analysis of the DOS version of NETPATH, while preserving all of the capabilities of the original version. Through example applications, the note describes some of the features of NETPATH-WIN as applied to adjustment of radiocarbon data for geochemical reactions in groundwater systems.

  17. Computerized transportation model for the NRC Physical Protection Project. Versions I and II

    International Nuclear Information System (INIS)

    Anderson, G.M.

    1978-01-01

    Details on two versions of a computerized model for the transportation system of the NRC Physical Protection Project are presented. The Version I model permits scheduling of all types of transport units associated with a truck fleet, including truck trailers, truck tractors, escort vehicles and crews. A fixed-fleet itinerary construction process is used in which iterations on fleet size are required until the service requirements are satisfied. The Version II model adds an aircraft mode capability and provides for a more efficient non-fixed-fleet itinerary generation process. Test results using both versions are included

  18. European scale modeling of sulfur, oxidized nitrogen and photochemical oxidants. Model development and evaluation for the 1994 growing season

    Energy Technology Data Exchange (ETDEWEB)

    Langner, J.; Bergstroem, R. [Swedish Meteorological and Hydrological Inst., Norrkoeping (Sweden); Pleijel, K. [Swedish Environmental Research Inst., Goeteborg (Sweden)

    1998-09-01

    A chemical mechanism, including the relevant reactions leading to the production of ozone and other photochemical oxidants, has been implemented in the MATCH regional tracer transport/chemistry/deposition model. The aim has been to develop a model platform that can be used as a basis for a range of regional scale studies involving atmospheric chemistry, including assessment of the importance of different sources of pollutants to the levels of photochemical oxidants and air pollutant forecasting. Meteorological input data to the model were taken from archived output from the operational version of HIRLAM at SMHI. Evaluation of model calculations over Europe for a six month period in 1994 for a range of chemical components show good results considering known sources of error and uncertainties in input data and model formulation. With limited further work the system is sufficiently good to be applied for scenario studies and for regional scale air pollutant forecasts 42 refs, 24 figs, 17 tabs

  19. ANLECIS-1: Version of ANLECIS Program for Calculations with the Asymetric Rotational Model

    International Nuclear Information System (INIS)

    Lopez Mendez, R.; Garcia Moruarte, F.

    1986-01-01

    A new modified version of the ANLECIS Code is reported. This version allows to fit simultaneously the cross section of the direct process by the asymetric rotational model, and the cross section of the compound nucleus process by the Hauser-Feshbach formalism with the modern statistical corrections. The calculations based in this version show a dependence of the compound nucleus cross section with respect to the asymetric parameter γ. (author). 19 refs

  20. CENTURY: Modeling Ecosystem Responses to Climate Change, Version 4 (VEMAP 1995)

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: The CENTURY model, Version 4, is a general model of plant-soil nutrient cycling that is being used to simulate carbon and nutrient dynamics for different...

  1. CENTURY: Modeling Ecosystem Responses to Climate Change, Version 4 (VEMAP 1995)

    Data.gov (United States)

    National Aeronautics and Space Administration — The CENTURY model, Version 4, is a general model of plant-soil nutrient cycling that is being used to simulate carbon and nutrient dynamics for different types of...

  2. A Constrained and Versioned Data Model for TEAM Data

    Science.gov (United States)

    Andelman, S.; Baru, C.; Chandra, S.; Fegraus, E.; Lin, K.

    2009-04-01

    The objective of the Tropical Ecology Assessment and Monitoring Network (www.teamnetwork.org) is "To generate real time data for monitoring long-term trends in tropical biodiversity through a global network of TEAM sites (i.e. field stations in tropical forests), providing an early warning system on the status of biodiversity to effectively guide conservation action". To achieve this, the TEAM Network operates by collecting data via standardized protocols at TEAM Sites. The standardized TEAM protocols include the Climate, Vegetation and Terrestrial Vertebrate Protocols. Some sites also implement additional protocols. There are currently 7 TEAM Sites with plans to grow the network to 15 by June 30, 2009 and 50 TEAM Sites by the end of 2010. At each TEAM Site, data is gathered as defined by the protocols and according to a predefined sampling schedule. The TEAM data is organized and stored in a database based on the TEAM spatio-temporal data model. This data model is at the core of the TEAM Information System - it consumes and executes spatio-temporal queries, and analytical functions that are performed on TEAM data, and defines the object data types, relationships and operations that maintain database integrity. The TEAM data model contains object types including types for observation objects (e.g. bird, butterfly and trees), sampling unit, person, role, protocol, site and the relationship of these object types. Each observation data record is a set of attribute values of an observation object and is always associated with a sampling unit, an observation timestamp or time interval, a versioned protocol and data collectors. The operations on the TEAM data model can be classified as read operations, insert operations and update operations. Following are some typical operations: The operation get(site, protocol, [sampling unit block, sampling unit,] start time, end time) returns all data records using the specified protocol and collected at the specified site, block

  3. A hybrid version of swan for fast and efficient practical wave modelling

    NARCIS (Netherlands)

    M. Genseberger (Menno); J. Donners

    2016-01-01

    htmlabstractIn the Netherlands, for coastal and inland water applications, wave modelling with SWAN has become a main ingredient. However, computational times are relatively high. Therefore we investigated the parallel efficiency of the current MPI and OpenMP versions of SWAN. The MPI version is

  4. A Systems Engineering Capability Maturity Model, Version 1.1,

    Science.gov (United States)

    1995-11-01

    of a sequence of actions to be taken to perform a given task. [SECMM] 1. A set of activities ( ISO 12207 ). 2. A set of practices that address the...standards One of the design goals of the SE-CMM effort was to capture the salient concepts from emerging standards and initiatives (e.g.; ISO 9001...history for the SE-CMM: Version Designator Content Change Notes Release 1 • architecture rationale • Process Areas • ISO (SPICE) BPG 0.05 summary

  5. Tier I Rice Model - Version 1.0 - Guidance for Estimating Pesticide Concentrations in Rice Paddies

    Science.gov (United States)

    Describes a Tier I Rice Model (Version 1.0) for estimating surface water exposure from the use of pesticides in rice paddies. The concentration calculated can be used for aquatic ecological risk and drinking water exposure assessments.

  6. Estimating Parameters for the PVsyst Version 6 Photovoltaic Module Performance Model

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Clifford [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

    2015-10-01

    We present an algorithm to determine parameters for the photovoltaic module perf ormance model encoded in the software package PVsyst(TM) version 6. Our method operates on current - voltage (I - V) measured over a range of irradiance and temperature conditions. We describe the method and illustrate its steps using data for a 36 cell crystalli ne silicon module. We qualitatively compare our method with one other technique for estimating parameters for the PVsyst(TM) version 6 model .

  7. Hydrogeochemical evaluation of the Forsmark site, model version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    Laaksoharju, Marcus (ed.) [GeoPoint AB, Sollentuna (Sweden); Gimeno, Maria; Auque, Luis; Gomez, Javier [Univ. of Zaragoza (Spain). Dept. of Earth Sciences; Smellie, John [Conterra AB, Uppsala (Sweden); Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden); Gurban, Ioana [3D-Terra, Montreal (Canada)

    2004-01-01

    values below detection limit). The meteoric water is found at the surface and at shallow depths and the marine water is found closer to the coast and at depths affected by Baltic Sea water and probably old Litorina Sea water. The present state of knowledge of the reactive system is that the main water-rock interaction processes that affects the chemistry in the fresh meteoric waters are: 1) decomposition of organic matter, 2) calcite, plagioclase, biotite and sulphide dissolution, 3) Na-Ca ion exchange, and 4) phyllosilicate precipitation probably extremely slow in the present environment. For the brackish-saline groundwaters in contrast, the water/rock interaction processes seem to be less important although this has not been established because of a lack of data. At the moment multiple end-member mixing between marine water, glacial melt water and a deeper saline water seem to play a significant role. Based on presently available data, the groundwater sample at 115 m depth, i.e. not representative of repository depths, met the groundwater criterion established by SKB concerning the measured Eh, pH, TDS and Ca+Mg values. The redox system at this depth is controlled by the presence of iron oxides, hydroxides or by sulphide minerals. In this evaluation the post glacial groundwater scenario model has been updated, the salinity distribution, mixing processes and the major reactions altering the groundwaters have been modelled down to a depth of 200 m and a new Hydrogeochemical Site Descriptive Model version 1.1 has been produced. A 3D groundwater description of the site was not produced at this stage due to a lack of observations reflecting spatial variations. The possibilities to compare and integrate future hydrochemical modelling with hydrogeological modelling has improved due to major development in constructing hydrogeological site models. The salinity distribution in fractures and the rock matrix together with mixing proportions can be compared from two independent

  8. Integrated Biosphere Simulator Model (IBIS), Version 2.5

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: The Integrated Biosphere Simulator (or IBIS) is designed to be a comprehensive model of the terrestrial biosphere. Tthe model represents a wide range of...

  9. Integrated Biosphere Simulator Model (IBIS), Version 2.5

    Data.gov (United States)

    National Aeronautics and Space Administration — The Integrated Biosphere Simulator (or IBIS) is designed to be a comprehensive model of the terrestrial biosphere. Tthe model represents a wide range of processes,...

  10. Model of dopant action in oxide cathodes

    International Nuclear Information System (INIS)

    Engelsen, Daniel den; Gaertner, Georg

    2005-01-01

    The paper describes an electrochemical model, which largely explains the formation of Ba in the oxide cathode at activation and normal operation. In a non-doped oxide cathode electrolysis of BaO is, besides the exchange reaction from the activators in the cathode nickel, an important source of Ba. By doping with rare earth oxides the conductivity of the oxide layer increases, which implies that the potential difference during current drawing over the oxide layer becomes lower and electrolysis of BaO is suppressed. This implies that the part of the electronic conductivity of the (Ba,Sr)O layer induced by the dopants also controls the sensitivity for poisoning: the higher the dopant level, the larger the sensitivity for poisoning. Furthermore, the suppression of electrolysis during normal operation largely explains why doped oxide cathodes have a better life performance than non-doped cathodes. Finally a hypothesis on the enhancement of sintering upon doping is presented

  11. Prediction models for successful external cephalic version: a systematic review.

    Science.gov (United States)

    Velzel, Joost; de Hundt, Marcella; Mulder, Frederique M; Molkenboer, Jan F M; Van der Post, Joris A M; Mol, Ben W; Kok, Marjolein

    2015-12-01

    To provide an overview of existing prediction models for successful ECV, and to assess their quality, development and performance. We searched MEDLINE, EMBASE and the Cochrane Library to identify all articles reporting on prediction models for successful ECV published from inception to January 2015. We extracted information on study design, sample size, model-building strategies and validation. We evaluated the phases of model development and summarized their performance in terms of discrimination, calibration and clinical usefulness. We collected different predictor variables together with their defined significance, in order to identify important predictor variables for successful ECV. We identified eight articles reporting on seven prediction models. All models were subjected to internal validation. Only one model was also validated in an external cohort. Two prediction models had a low overall risk of bias, of which only one showed promising predictive performance at internal validation. This model also completed the phase of external validation. For none of the models their impact on clinical practice was evaluated. The most important predictor variables for successful ECV described in the selected articles were parity, placental location, breech engagement and the fetal head being palpable. One model was assessed using discrimination and calibration using internal (AUC 0.71) and external validation (AUC 0.64), while two other models were assessed with discrimination and calibration, respectively. We found one prediction model for breech presentation that was validated in an external cohort and had acceptable predictive performance. This model should be used to council women considering ECV. Copyright © 2015. Published by Elsevier Ireland Ltd.

  12. The MiniBIOS model (version 1A4) at the RIVM

    NARCIS (Netherlands)

    Uijt de Haag PAM; Laheij GMH

    1993-01-01

    This report is the user's guide of the MiniBIOS model, version 1A4. The model is operational at the Laboratory of Radiation Research of the RIVM. MiniBIOS is a simulation model for calculating the transport of radionuclides in the biosphere and the consequential radiation dose to humans. The

  13. Integrated Baseline System (IBS) Version 2.0: Models guide

    Energy Technology Data Exchange (ETDEWEB)

    1994-03-01

    The Integrated Baseline System (IBS) is an emergency management planning and analysis tool being developed under the direction of the US Army Nuclear and Chemical Agency. This Models Guide summarizes the IBS use of several computer models for predicting the results of emergency situations. These include models for predicting dispersion/doses of airborne contaminants, traffic evacuation, explosion effects, heat radiation from a fire, and siren sound transmission. The guide references additional technical documentation on the models when such documentation is available from other sources. The audience for this manual is chiefly emergency management planners and analysts, but also data managers and system managers.

  14. Microsoft Repository Version 2 and the Open Information Model.

    Science.gov (United States)

    Bernstein, Philip A.; Bergstraesser, Thomas; Carlson, Jason; Pal, Shankar; Sanders, Paul; Shutt, David

    1999-01-01

    Describes the programming interface and implementation of the repository engine and the Open Information Model for Microsoft Repository, an object-oriented meta-data management facility that ships in Microsoft Visual Studio and Microsoft SQL Server. Discusses Microsoft's component object model, object manipulation, queries, and information…

  15. Prediction models for successful external cephalic version: a systematic review

    NARCIS (Netherlands)

    Velzel, Joost; de Hundt, Marcella; Mulder, Frederique M.; Molkenboer, Jan F. M.; van der Post, Joris A. M.; Mol, Ben W.; Kok, Marjolein

    2015-01-01

    To provide an overview of existing prediction models for successful ECV, and to assess their quality, development and performance. We searched MEDLINE, EMBASE and the Cochrane Library to identify all articles reporting on prediction models for successful ECV published from inception to January 2015.

  16. Efficient Modelling and Generation of Markov Automata (extended version)

    NARCIS (Netherlands)

    Timmer, Mark; Katoen, Joost P.; van de Pol, Jan Cornelis; Stoelinga, Mariëlle Ida Antoinette

    2012-01-01

    This paper introduces a framework for the efficient modelling and generation of Markov automata. It consists of (1) the data-rich process-algebraic language MAPA, allowing concise modelling of systems with nondeterminism, probability and Markovian timing; (2) a restricted form of the language, the

  17. STORM WATER MANAGEMENT MODEL USER'S MANUAL VERSION 5.0

    Science.gov (United States)

    The EPA Storm Water Management Model (SWMM) is a dynamic rainfall-runoff simulation model used for single event or long-term (continuous) simulation of runoff quantity and quality from primarily urban areas. SWMM was first developed in 1971 and has undergone several major upgrade...

  18. Integrated Baseline Bystem (IBS) Version 1.03: Models guide

    Energy Technology Data Exchange (ETDEWEB)

    1993-01-01

    The Integrated Baseline System)(IBS), operated by the Federal Emergency Management Agency (FEMA), is a system of computerized tools for emergency planning and analysis. This document is the models guide for the IBS and explains how to use the emergency related computer models. This document provides information for the experienced system user, and is the primary reference for the computer modeling software supplied with the system. It is designed for emergency managers and planners, and others familiar with the concepts of computer modeling. Although the IBS manual set covers basic and advanced operations, it is not a complete reference document set. Emergency situation modeling software in the IBS is supported by additional technical documents. Some of the other IBS software is commercial software for which more complete documentation is available. The IBS manuals reference such documentation where necessary.

  19. Flipped version of the supersymmetric strongly coupled preon model

    Energy Technology Data Exchange (ETDEWEB)

    Fajfer, S. (Institut za Fiziku, University of Sarajevo, Sarajevo, (Yugoslavia)); Milekovic, M.; Tadic, D. (Zavod za Teorijsku Fiziku, Prirodoslovno-Matematicki Fakultet, University of Zagreb, Croatia, (Yugoslavia))

    1989-12-01

    In the supersymmetric SU(5) (SUSY SU(5)) composite model (which was described in an earlier paper) the fermion mass terms can be easily constructed. The SUSY SU(5){direct product}U(1), i.e., flipped, composite model possesses a completely analogous composite-particle spectrum. However, in that model one cannot construct a renormalizable superpotential which would generate fermion mass terms. This contrasts with the standard noncomposite grand unified theories (GUT's) in which both the Georgi-Glashow electrical charge embedding and its flipped counterpart lead to the renormalizable theories.

  20. Radarsat Antarctic Mapping Project Digital Elevation Model, Version 2

    Data.gov (United States)

    National Aeronautics and Space Administration — The high-resolution Radarsat Antarctic Mapping Project (RAMP) Digital Elevation Model (DEM) combines topographic data from a variety of sources to provide consistent...

  1. U.S. Coastal Relief Model - Southern California Version 2

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — NGDC's U.S. Coastal Relief Model (CRM) provides a comprehensive view of the U.S. coastal zone integrating offshore bathymetry with land topography into a seamless...

  2. ONKALO rock mechanics model (RMM) - Version 2.0

    International Nuclear Information System (INIS)

    Moenkkoenen, H.; Hakala, M.; Paananen, M.; Laine, E.

    2012-02-01

    The Rock Mechanics Model of the ONKALO rock volume is a description of the significant features and parameters related to rock mechanics. The main objective is to develop a tool to predict the rock properties, quality and hence the potential for stress failure which can then be used for continuing design of the ONKALO and the repository. This is the second implementation of the Rock Mechanics Model and it includes sub-models of the intact rock strength, in situ stress, thermal properties, rock mass quality and properties of the brittle deformation zones. Because of the varying quantities of available data for the different parameters, the types of presentations also vary: some data sets can be presented in the style of a 3D block model but, in other cases, a single distribution represents the whole rock volume hosting the ONKALO. (orig.)

  3. Geological model of the ONKALO area version 0

    International Nuclear Information System (INIS)

    Paananen, M.; Paulamaeki, S.; Gehoer, S.; Kaerki, A.

    2006-03-01

    The geological model of the ONKALO area is composed of four submodels: ductile deformation model, lithological model, brittle deformation model and alteration model. The ductile deformation model describes and models the products of polyphase ductile deformation, which facilitates the definition of dimensions and geometrical properties of individual lithological units determined in the lithological model. The lithological model describes the properties of rock units that can be defined on the basis the migmatite structures, textures and modal compositions. The brittle deformation model describes the products of multiple phases of brittle deformation, and the alteration model describes the types, occurrence and the effects of the hydrothermal alteration. On the basis of refolding and crosscutting relationships, the metamorphic supracrustal rocks have been subject to five stages of ductile deformation. This resulted in a pervasive, composite foliation which shows a rather constant attitude in the ONKALO area. Based on observations in outcrops, investigation trenches and drill cores, 3D modelling of the lithological units is carried out assuming that the contacts are quasiconcordant. Using this assumption, the strike and dip of the foliation has been used as a tool to correlate the lithologies between the drillholes, and from surface and tunnel outcrops to drillholes. Consequently, the strike and dip of the foliation has been used as a tool, through which the lithologies have been correlated between the drillholes and from surface to drillholes. The rocks at Olkiluoto can be divided into two major groups: (1) supracrustal high-grade metamorphic rocks including various migmatitic gneisses, homogeneous tonaliticgranodioritic- granitic gneisses, mica gneisses and quartzitic gneisses, and mafic gneisses, (2) igneous rocks, including pegmatitic granites and diabase dykes. The migmatitic gneisses can further be divided into three subgroups in terms of the type of migmatite

  4. The Oak Ridge Competitive Electricity Dispatch (ORCED) Model Version 9

    Energy Technology Data Exchange (ETDEWEB)

    Hadley, Stanton W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Baek, Young Sun [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2016-11-01

    The Oak Ridge Competitive Electricity Dispatch (ORCED) model dispatches power plants in a region to meet the electricity demands for any single given year up to 2030. It uses publicly available sources of data describing electric power units such as the National Energy Modeling System and hourly demands from utility submittals to the Federal Energy Regulatory Commission that are projected to a future year. The model simulates a single region of the country for a given year, matching generation to demands and predefined net exports from the region, assuming no transmission constraints within the region. ORCED can calculate a number of key financial and operating parameters for generating units and regional market outputs including average and marginal prices, air emissions, and generation adequacy. By running the model with and without changes such as generation plants, fuel prices, emission costs, plug-in hybrid electric vehicles, distributed generation, or demand response, the marginal impact of these changes can be found.

  5. Due Regard Encounter Model Version 1.0

    Science.gov (United States)

    2013-08-19

    Note that no existing model covers encoun- ters between two IFR aircraft in oceanic airspace. The reason for this is that one cannot observe encounters...encounters between instrument flight rules ( IFR ) and non- IFR traffic beyond 12NM. 2 TABLE 1 Encounter model categories. Aircraft of Interest Intruder...Aircraft Location Flight Rule IFR VFR Noncooperative Noncooperative Conventional Unconventional CONUS IFR C C U X VFR C U U X Offshore IFR C C U X VFR C U

  6. Geological model of the Olkiluoto site Version O

    International Nuclear Information System (INIS)

    Paulamaeki, S.; Paananen, M.; Gehoer, S.

    2006-05-01

    The geological model of the Olkiluoto site consists of four submodels: the lithological model, the ductile deformation model, the brittle deformation model and the alteration model. The lithological model gives properties of definite rock units that can be defined on the basis the migmatite structures, textures and modal compositions. The ductile deformation model describes and models the products of polyphase ductile deformation, which enables to define the dimensions and geometrical properties of individual lithological units determined in the lithological model. The brittle deformation model describes the products of multiple phases of brittle deformation. The alteration model describes the types, occurrence and the effects of the hydrothermal alteration. The rocks of Olkiluoto can be divided into two major classes: (1) supracrustal high-grade metamorphic rocks including various migmatitic gneisses, tonalitic-granodioriticgranitic gneisses, mica gneisses, quartz gneisses and mafic gneisses, and (2) igneous rocks including pegmatitic granites and diabase dykes. The migmatitic gneisses can further be divided into three subgroups in terms of the type of migmatite structure: veined gneisses, stromatic gneisses and diatexitic gneisses. On the basis of refolding and crosscutting relationships, the metamorphic supracrustal rocks have been subject to polyphased ductile deformation, including five stages. In 3D modelling of the lithological units, an assumption has been made, on the basis of measurements in outcrops, investigation trenches and drill cores, that the pervasive, composite foliation produced as a result a polyphase ductile deformation has a rather constant attitude in the ONKALO area. Consequently, the strike and dip of the foliation has been used as a tool, through which the lithologies have been correlated between the drillholes and from the surface to the drillholes. The bedrock in the Olkiluoto site has been subject to extensive hydrothermal alteration

  7. Institutional Transformation Version 2.5 Modeling and Planning.

    Energy Technology Data Exchange (ETDEWEB)

    Villa, Daniel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mizner, Jack H. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Passell, Howard D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gallegos, Gerald R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Peplinski, William John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Vetter, Douglas W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Evans, Christopher A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Malczynski, Leonard A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Addison, Marlin [Arizona State Univ., Mesa, AZ (United States); Schaffer, Matthew A. [Bridgers and Paxton Engineering Firm, Albuquerque, NM (United States); Higgins, Matthew W. [Vibrantcy, Albuquerque, NM (United States)

    2017-02-01

    Reducing the resource consumption and emissions of large institutions is an important step toward a sustainable future. Sandia National Laboratories' (SNL) Institutional Transformation (IX) project vision is to provide tools that enable planners to make well-informed decisions concerning sustainability, resource conservation, and emissions reduction across multiple sectors. The building sector has been the primary focus so far because it is the largest consumer of resources for SNL. The IX building module allows users to define the evolution of many buildings over time. The module has been created so that it can be generally applied to any set of DOE-2 ( http://doe2.com ) building models that have been altered to include parameters and expressions required by energy conservation measures (ECM). Once building models have been appropriately prepared, they are checked into a Microsoft Access (r) database. Each building can be represented by many models. This enables the capability to keep a continuous record of models in the past, which are replaced with different models as changes occur to the building. In addition to this, the building module has the capability to apply climate scenarios through applying different weather files to each simulation year. Once the database has been configured, a user interface in Microsoft Excel (r) is used to create scenarios with one or more ECMs. The capability to include central utility buildings (CUBs) that service more than one building with chilled water has been developed. A utility has been created that joins multiple building models into a single model. After using the utility, several manual steps are required to complete the process. Once this CUB model has been created, the individual contributions of each building are still tracked through meters. Currently, 120 building models from SNL's New Mexico and California campuses have been created. This includes all buildings at SNL greater than 10,000 sq. ft

  8. Mars Global Reference Atmospheric Model 2010 Version: Users Guide

    Science.gov (United States)

    Justh, H. L.

    2014-01-01

    This Technical Memorandum (TM) presents the Mars Global Reference Atmospheric Model 2010 (Mars-GRAM 2010) and its new features. Mars-GRAM is an engineering-level atmospheric model widely used for diverse mission applications. Applications include systems design, performance analysis, and operations planning for aerobraking, entry, descent and landing, and aerocapture. Additionally, this TM includes instructions on obtaining the Mars-GRAM source code and data files as well as running Mars-GRAM. It also contains sample Mars-GRAM input and output files and an example of how to incorporate Mars-GRAM as an atmospheric subroutine in a trajectory code.

  9. Red Storm usage model :Version 1.12.

    Energy Technology Data Exchange (ETDEWEB)

    Jefferson, Karen L.; Sturtevant, Judith E.

    2005-12-01

    Red Storm is an Advanced Simulation and Computing (ASC) funded massively parallel supercomputer located at Sandia National Laboratories (SNL). The Red Storm Usage Model (RSUM) documents the capabilities and the environment provided for the FY05 Tri-Lab Level II Limited Availability Red Storm User Environment Milestone and the FY05 SNL Level II Limited Availability Red Storm Platform Milestone. This document describes specific capabilities, tools, and procedures to support both local and remote users. The model is focused on the needs of the ASC user working in the secure computing environments at Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), and SNL. Additionally, the Red Storm Usage Model maps the provided capabilities to the Tri-Lab ASC Computing Environment (ACE) requirements. The ACE requirements reflect the high performance computing requirements for the ASC community and have been updated in FY05 to reflect the community's needs. For each section of the RSUM, Appendix I maps the ACE requirements to the Limited Availability User Environment capabilities and includes a description of ACE requirements met and those requirements that are not met in that particular section. The Red Storm Usage Model, along with the ACE mappings, has been issued and vetted throughout the Tri-Lab community.

  10. Zig-zag version of the Frenkel-Kontorova model

    DEFF Research Database (Denmark)

    Christiansen, Peter Leth; Savin, A.V.; Zolotaryuk, Alexander

    1996-01-01

    We study a generalization of the Frenkel-Kontorova model which describes a zig-zag chain of particles coupled by both the first- and second-neighbor harmonic forces and subjected to a planar substrate with a commensurate potential relief. The particles are supposed to have two degrees of freedom...

  11. Oxide behaviour modelling progress in COMETHE

    International Nuclear Information System (INIS)

    Vliet, J. van; Hoppe, N.

    1983-01-01

    An attempt has been made to develop a global model which simultaneously describes many important aspects of uranium oxide under irradiation. The individual models describing fuel structural changes, swelling and gas release, which were earlier separate from one another, are now part of a more realistic integral fuel model. Fission gas release depends now on an explicitely calculated open porosity, which is generated by fuel swelling; the latter is in turn connected to fission gas release. The paper describes the individual oxide models and how they are linked together. (author)

  12. Modelling of UO2 oxidation in steam

    International Nuclear Information System (INIS)

    Brito, A.C.; Iglesias, F.C.; Liu, Y.

    1996-01-01

    A computer model has been developed for calculating oxidation of UO 2 at high temperatures in steam oxidising conditions. Several methods to calculate the partial pressure of oxygen in the fuel and in the environment surrounding the fuel are available. The various methodologies have been compared and the best models have been compiled into a computer model which will be implemented into fuel thermal/mechanical behaviour codes such as FACTAR 2.0 (LOECI) and ELESIM/ELOCA. Calculations from the computer model have been compared to experimental results. The calculated oxidation reaction kinetics are in good agreement with the experimental data. (author)

  13. The ``KILDER`` air pollution modelling system, version 2.0

    Energy Technology Data Exchange (ETDEWEB)

    Gram, F.

    1996-12-31

    This report describes the KILDER Air Pollution Modelling System, which is a system of small PC-programs for calculation of long-term emission, dispersion, concentration and exposure from different source categories. The system consists of three parts: (1) The dispersion models POI-KILD and ARE-KILD for point- and area-sources, respectively, (2) Meterological programs WINDFREC, STABFREC and METFREC, (3) Supporting programs for calculating emissions and exposure and for operating with binary data fields. The file structure is based on binary files with data fields. The data fields are matrices with different types of values and may be read into the computer or be calculated in other programs. 19 refs., 22 figs., 3 tabs.

  14. Implementation of a parallel version of a regional climate model

    Energy Technology Data Exchange (ETDEWEB)

    Gerstengarbe, F.W. [ed.; Kuecken, M. [Potsdam-Institut fuer Klimafolgenforschung (PIK), Potsdam (Germany); Schaettler, U. [Deutscher Wetterdienst, Offenbach am Main (Germany). Geschaeftsbereich Forschung und Entwicklung

    1997-10-01

    A regional climate model developed by the Max Planck Institute for Meterology and the German Climate Computing Centre in Hamburg based on the `Europa` and `Deutschland` models of the German Weather Service has been parallelized and implemented on the IBM RS/6000 SP computer system of the Potsdam Institute for Climate Impact Research including parallel input/output processing, the explicit Eulerian time-step, the semi-implicit corrections, the normal-mode initialization and the physical parameterizations of the German Weather Service. The implementation utilizes Fortran 90 and the Message Passing Interface. The parallelization strategy used is a 2D domain decomposition. This report describes the parallelization strategy, the parallel I/O organization, the influence of different domain decomposition approaches for static and dynamic load imbalances and first numerical results. (orig.)

  15. External Validation of a Prediction Model for Successful External Cephalic Version

    NARCIS (Netherlands)

    de Hundt, Marcella; Vlemmix, Floortje; Kok, Marjolein; van der Steeg, Jan W.; Bais, Joke M.; Mol, Ben W.; van der Post, Joris A.

    2012-01-01

    We sought external validation of a prediction model for the probability of a successful external cephalic version (ECV). We evaluated the performance of the prediction model with calibration and discrimination. For clinical practice, we developed a score chart to calculate the probability of a

  16. Regularized integrable version of the one-dimensional quantum sine-Gordon model

    International Nuclear Information System (INIS)

    Japaridze, G.I.; Nersesyan, A.A.; Wiegmann, P.B.

    1983-01-01

    The authors derive a regularized exactly solvable version of the one-dimensional quantum sine-Gordon model proceeding from the exact solution of the U(1)-symmetric Thirring model. The ground state and the excitation spectrum are obtained in the region ν 2 < 8π. (Auth.)

  17. Connected Equipment Maturity Model Version 1.0

    Energy Technology Data Exchange (ETDEWEB)

    Butzbaugh, Joshua B. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Mayhorn, Ebony T. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sullivan, Greg [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Whalen, Scott A. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2017-05-01

    The Connected Equipment Maturity Model (CEMM) evaluates the high-level functionality and characteristics that enable equipment to provide the four categories of energy-related services through communication with other entities (e.g., equipment, third parties, utilities, and users). The CEMM will help the U.S. Department of Energy, industry, energy efficiency organizations, and research institutions benchmark the current state of connected equipment and identify capabilities that may be attained to reach a more advanced, future state.

  18. System cost model user's manual, version 1.2

    International Nuclear Information System (INIS)

    Shropshire, D.

    1995-06-01

    The System Cost Model (SCM) was developed by Lockheed Martin Idaho Technologies in Idaho Falls, Idaho and MK-Environmental Services in San Francisco, California to support the Baseline Environmental Management Report sensitivity analysis for the U.S. Department of Energy (DOE). The SCM serves the needs of the entire DOE complex for treatment, storage, and disposal (TSD) of mixed low-level, low-level, and transuranic waste. The model can be used to evaluate total complex costs based on various configuration options or to evaluate site-specific options. The site-specific cost estimates are based on generic assumptions such as waste loads and densities, treatment processing schemes, existing facilities capacities and functions, storage and disposal requirements, schedules, and cost factors. The SCM allows customization of the data for detailed site-specific estimates. There are approximately forty TSD module designs that have been further customized to account for design differences for nonalpha, alpha, remote-handled, and transuranic wastes. The SCM generates cost profiles based on the model default parameters or customized user-defined input and also generates costs for transporting waste from generators to TSD sites

  19. Geological Model of the Olkiluoto Site. Version 2.0

    International Nuclear Information System (INIS)

    Aaltonen, I.

    2010-10-01

    The rocks of Olkiluoto can be divided into two major classes: 1) supracrustal high-grade metamorphic rocks including various migmatitic gneisses, tonalitic-granodioriticgranitic gneisses, mica gneisses, quartz gneisses and mafic gneisses, and 2) igneous rocks including pegmatitic granites and diabase dykes. The migmatitic gneisses can further be divided into three subgroups in terms of the type of migmatite structure: veined gneisses, stromatic gneisses and diatexitic gneisses. On the basis of refolding and crosscutting relationships, the metamorphic supracrustal rocks have been subjected to polyphased ductile deformation, consisting of five stages, the D2 being locally the most intensive phase, producing thrust-related folding, strong migmatisation and pervasive foliation. In 3D modelling of the lithological units, an assumption has been made, on the basis of measurements in the outcrops, investigation trenches and drill cores, that the pervasive, composite foliation produced as a result of polyphase ductile deformation has a rather constant attitude in the ONKALO area. Consequently, the strike and dip of the foliation has been used as a tool, through which the lithologies have been correlated between the drillholes and from the surface to the drillholes. In addition, the largest ductile deformation zones and tectonic units are described in 3D model. The bedrock at the Olkiluoto site has been subjected to extensive hydrothermal alteration, which has taken place at reasonably low temperature conditions, the estimated temperature interval being from slightly over 300 deg C to less than 100 deg C. Two types of alteration can be observed: firstly, pervasive alteration and secondly fracturecontrolled alteration. Clay mineralisation and sulphidisation are the most prominent alteration events in the site area. Sulphides are located in the uppermost part of the model volume following roughly the foliation and lithological trend. Kaolinite is also mainly located in the

  20. A magnetic version of the Smilansky-Solomyak model

    Czech Academy of Sciences Publication Activity Database

    Barseghyan, Diana; Exner, Pavel

    2017-01-01

    Roč. 50, č. 48 (2017), č. článku 485203. ISSN 1751-8113 R&D Projects: GA ČR GA17-01706S Institutional support: RVO:61389005 Keywords : Smilansky-Solomyak model * spectral transition * homegeneous magnetic field * discrete spectrum * essential spectrum Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 1.857, year: 2016

  1. PUMA Version 6 Multiplatform with Facilities to be coupled with other Simulation Models

    International Nuclear Information System (INIS)

    Grant, Carlos

    2013-01-01

    PUMA is a code for nuclear reactor calculation used in all nuclear installations in Argentina for simulation of fuel management, power cycles and transient events by means of spatial kinetic diffusion theory in 3D. For the versions used up to now the WINDOWS platform was used with very good results. Nowadays PUMA must work in different operative systems, LINUX among others, and must also have facilities to be coupled with other models. For this reason this new version was reprogrammed in ADA, language oriented to a safe programming and be found in any operative system. In former versions PUMA was executed through macro instructions written in LOGO. For this version it is possible to use also PYTHON, which makes also possible the access in execution time to internal data of PUMA. The use of PYTHON allows a easy way to couple PUMA with other codes. The possibilities of this new version of PUMA are shown by means of examples of input data and process control using PYTHON and LOGO. It is discussed the implementation of this methodology in other codes to be coupled with PUMA for versions run in WINDOWS and LINUX. (author)

  2. Geological model of the Olkiluoto site. Version 1.0

    International Nuclear Information System (INIS)

    Mattila, J.; Aaltonen, I.; Kemppainen, K.

    2008-01-01

    The rocks of Olkiluoto can be divided into two major classes: (1) supracrustal high-grade metamorphic rocks including various migmatitic gneisses, tonalitic-granodioriticgranitic gneisses, mica gneisses, quartz gneisses and mafic gneisses, and (2) igneous rocks including pegmatitic granites and diabase dykes. The migmatitic gneisses can further be divided into three subgroups in terms of the type of migmatite structure: veined gneisses, stromatic gneisses and diatexitic gneisses. On the basis of refolding and crosscutting relationships, the metamorphic supracrustal rocks have been subjected to polyphased ductile deformation, consisting of five stages, the D2 being locally the most intensive phase, producing thrust-related folding, strong migmatisation and pervasive foliation. In 3D modelling of the lithological units, an assumption has been made, on the basis of measurements in the outcrops, investigation trenches and drill cores, that the pervasive, composite foliation produced as a result of polyphase ductile deformation has a rather constant attitude in the ONKALO area. Consequently, the strike and dip of the foliation has been used as a tool, through which the lithologies have been correlated between the drillholes and from the surface to the drillholes. The bedrock at the Olkiluoto site has been subjected to extensive hydrothermal alteration, which has taken place at reasonably low temperature conditions, the estimated temperature interval being from slightly over 300 deg C to less than 100 deg C. Two types of alteration can be observed: (1) pervasive (disseminated) alteration and (2) fracture-controlled (veinlet) alteration. Kaolinisation and sulphidisation are the most prominent alteration events in the site area. Sulphides are located in the uppermost part of the model volume following roughly the lithological trend (slightly dipping to the SE). Kaolinite is also located in the uppermost part, but the orientation is opposite to the main lithological trend

  3. Response Surface Modeling Tool Suite, Version 1.x

    Energy Technology Data Exchange (ETDEWEB)

    2016-07-05

    The Response Surface Modeling (RSM) Tool Suite is a collection of three codes used to generate an empirical interpolation function for a collection of drag coefficient calculations computed with Test Particle Monte Carlo (TPMC) simulations. The first code, "Automated RSM", automates the generation of a drag coefficient RSM for a particular object to a single command. "Automated RSM" first creates a Latin Hypercube Sample (LHS) of 1,000 ensemble members to explore the global parameter space. For each ensemble member, a TPMC simulation is performed and the object drag coefficient is computed. In the next step of the "Automated RSM" code, a Gaussian process is used to fit the TPMC simulations. In the final step, Markov Chain Monte Carlo (MCMC) is used to evaluate the non-analytic probability distribution function from the Gaussian process. The second code, "RSM Area", creates a look-up table for the projected area of the object based on input limits on the minimum and maximum allowed pitch and yaw angles and pitch and yaw angle intervals. The projected area from the look-up table is used to compute the ballistic coefficient of the object based on its pitch and yaw angle. An accurate ballistic coefficient is crucial in accurately computing the drag on an object. The third code, "RSM Cd", uses the RSM generated by the "Automated RSM" code and the projected area look-up table generated by the "RSM Area" code to accurately compute the drag coefficient and ballistic coefficient of the object. The user can modify the object velocity, object surface temperature, the translational temperature of the gas, the species concentrations of the gas, and the pitch and yaw angles of the object. Together, these codes allow for the accurate derivation of an object's drag coefficient and ballistic coefficient under any conditions with only knowledge of the object's geometry and mass.

  4. Selective Oxidation of Lignin Model Compounds.

    Science.gov (United States)

    Gao, Ruili; Li, Yanding; Kim, Hoon; Mobley, Justin K; Ralph, John

    2018-05-02

    Lignin, the planet's most abundant renewable source of aromatic compounds, is difficult to degrade efficiently to welldefined aromatics. We developed a microwave-assisted catalytic Swern oxidation system using an easily prepared catalyst, MoO 2 Cl 2 (DMSO) 2 , and DMSO as the solvent and oxidant. It demonstrated high efficiency in transforming lignin model compounds containing the units and functional groups found in native lignins. The aromatic ring substituents strongly influenced the selectivity of β-ether phenolic dimer cleavage to generate sinapaldehyde and coniferaldehyde, monomers not usually produced by oxidative methods. Time-course studies on two key intermediates provided insight into the reaction pathway. Owing to the broad scope of this oxidation system and the insight gleaned with regard to its mechanism, this strategy could be adapted and applied in a general sense to the production of useful aromatic chemicals from phenolics and lignin. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Technical Note: Description and assessment of a nudged version of the new dynamics Unified Model

    Directory of Open Access Journals (Sweden)

    O. Morgenstern

    2008-03-01

    Full Text Available We present a "nudged" version of the Met Office general circulation model, the Unified Model. We constrain this global climate model using ERA-40 re-analysis data with the aim of reproducing the observed "weather" over a year from September 1999. Quantitative assessments are made of its performance, focusing on dynamical aspects of nudging and demonstrating that the "weather" is well simulated.

  6. Advanced oxidation processes: overall models

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, M. [Univ. de los Andes, Escuela Basica de Ingenieria, La Hechicera, Merida (Venezuela); Curco, D.; Addardak, A.; Gimenez, J.; Esplugas, S. [Dept. de Ingenieria Quimica. Univ. de Barcelona, Barcelona (Spain)

    2003-07-01

    Modelling AOPs implies to consider all the steps included in the process, that means, mass transfer, kinetic (reaction) and luminic steps. In this way, recent works develop models which relate the global reaction rate to catalyst concentration and radiation absorption. However, the application of such models requires to know what is the controlling step for the overall process. In this paper, a simple method is explained which allows to determine the controlling step. Thus, it is assumed that reactor is divided in two hypothetical zones (dark and illuminated), and according to the experimental results, obtained by varying only the reaction volume, it can be decided if reaction occurs only in the illuminated zone or in the all reactor, including dark zone. The photocatalytic degradation of phenol, by using titania degussa P-25 as catalyst, is studied as reaction model. The preliminary results obtained are presented here, showing that it seems that, in this case, reaction only occurs in the illuminated zone of photoreactor. A model is developed to explain this behaviour. (orig.)

  7. Site investigation SFR. Hydrogeological modelling of SFR. Model version 0.2

    Energy Technology Data Exchange (ETDEWEB)

    Oehman, Johan (Golder Associates AB (Sweden)); Follin, Sven (SF GeoLogic (Sweden))

    2010-01-15

    The Swedish Nuclear Fuel and Waste Management Company (SKB) has conducted site investigations for a planned extension of the existing final repository for short-lived radioactive waste (SFR). A hydrogeological model is developed in three model versions, which will be used for safety assessment and design analyses. This report presents a data analysis of the currently available hydrogeological data from the ongoing Site Investigation SFR (KFR27, KFR101, KFR102A, KFR102B, KFR103, KFR104, and KFR105). The purpose of this work is to develop a preliminary hydrogeological Discrete Fracture Network model (hydro-DFN) parameterisation that can be applied in regional-scale modelling. During this work, the Geologic model had not yet been updated for the new data set. Therefore, all analyses were made to the rock mass outside Possible Deformation Zones, according to Single Hole Interpretation. Owing to this circumstance, it was decided not to perform a complete hydro-DFN calibration at this stage. Instead focus was re-directed to preparatory test cases and conceptual questions with the aim to provide a sound strategy for developing the hydrogeological model SFR v. 1.0. The presented preliminary hydro-DFN consists of five fracture sets and three depth domains. A statistical/geometrical approach (connectivity analysis /Follin et al. 2005/) was performed to estimate the size (i.e. fracture radius) distribution of fractures that are interpreted as Open in geologic mapping of core data. Transmissivity relations were established based on an assumption of a correlation between the size and evaluated specific capacity of geologic features coupled to inflows measured by the Posiva Flow Log device (PFL-f data). The preliminary hydro-DFN was applied in flow simulations in order to test its performance and to explore the role of PFL-f data. Several insights were gained and a few model technical issues were raised. These are summarised in Table 5-1

  8. Site investigation SFR. Hydrogeological modelling of SFR. Model version 0.2

    International Nuclear Information System (INIS)

    Oehman, Johan; Follin, Sven

    2010-01-01

    The Swedish Nuclear Fuel and Waste Management Company (SKB) has conducted site investigations for a planned extension of the existing final repository for short-lived radioactive waste (SFR). A hydrogeological model is developed in three model versions, which will be used for safety assessment and design analyses. This report presents a data analysis of the currently available hydrogeological data from the ongoing Site Investigation SFR (KFR27, KFR101, KFR102A, KFR102B, KFR103, KFR104, and KFR105). The purpose of this work is to develop a preliminary hydrogeological Discrete Fracture Network model (hydro-DFN) parameterisation that can be applied in regional-scale modelling. During this work, the Geologic model had not yet been updated for the new data set. Therefore, all analyses were made to the rock mass outside Possible Deformation Zones, according to Single Hole Interpretation. Owing to this circumstance, it was decided not to perform a complete hydro-DFN calibration at this stage. Instead focus was re-directed to preparatory test cases and conceptual questions with the aim to provide a sound strategy for developing the hydrogeological model SFR v. 1.0. The presented preliminary hydro-DFN consists of five fracture sets and three depth domains. A statistical/geometrical approach (connectivity analysis /Follin et al. 2005/) was performed to estimate the size (i.e. fracture radius) distribution of fractures that are interpreted as Open in geologic mapping of core data. Transmissivity relations were established based on an assumption of a correlation between the size and evaluated specific capacity of geologic features coupled to inflows measured by the Posiva Flow Log device (PFL-f data). The preliminary hydro-DFN was applied in flow simulations in order to test its performance and to explore the role of PFL-f data. Several insights were gained and a few model technical issues were raised. These are summarised in Table 5-1

  9. A new version of code Java for 3D simulation of the CCA model

    Science.gov (United States)

    Zhang, Kebo; Xiong, Hailing; Li, Chao

    2016-07-01

    In this paper we present a new version of the program of CCA model. In order to benefit from the advantages involved in the latest technologies, we migrated the running environment from JDK1.6 to JDK1.7. And the old program was optimized into a new framework, so promoted extendibility.

  10. User's guide to the Yucca Mountain Integrating Model (YMIM) Version 2.1

    International Nuclear Information System (INIS)

    Gansemer, J.; Lamont, A.

    1995-04-01

    The Yucca Mountain Integrating Model (YMIM) is an integrated model of the engineered barrier system. It contains models of the processes of waste container failure and nuclide release from the fuel rods. YMIM is driven by scenarios of container and rod temperature, near-field chemistry, and near-field hydrology provided by other modules. It is designed to be highly modular so that a model of an individual process can be easily modified to replaced without interfering with the models of other processes. This manual describes the process models and provides instructions for setting up and running YMIM Version 2.1

  11. Comparative assessment of PSI air oxidation model implementation in SCDAPSim3.5, MELCOR 1.8.6 and MELCOR 2.1

    International Nuclear Information System (INIS)

    Fernandez-Moguel, Leticia

    2015-01-01

    Highlights: • The PSI air oxidation model has been successfully implemented in MELCOR. • The model treats oxygen as an active species and nitrogen as a catalyst. • The implementation has been assessed against the previous post-test analyses for QUENCH-16. • The pre-oxidation and air phase were consistent when similar modelling options were used. • All code versions were in fair agreement with the experimental data. - Abstract: The PSI air oxidation model has been successfully implemented in the lump parameter code MELCOR. The PSI air oxidation model treats oxygen as an active species and nitrogen as a catalyst that accelerates the oxidation kinetics. The essential feature of the model is the transition from parabolic to linear kinetics. The implementation has been assessed against the previous post-test analyses for the air ingress experiment QUENCH-16 performed with a local version of RELAP5/SCDAPSim3.5. This version contains the PSI air oxidation model. The pre-oxidation and air phase were consistent when similar modelling options were used and all code versions were in fair agreement with the experimental data, showing consistency in the implementation of the model. The PSI air oxidation model will be used in the future for analysis of spent fuel pool uncovery sequences where steam/air mixture is the prototypical environment

  12. The Lagrangian particle dispersion model FLEXPART-WRF VERSION 3.1

    Energy Technology Data Exchange (ETDEWEB)

    Brioude, J.; Arnold, D.; Stohl, A.; Cassiani, M.; Morton, Don; Seibert, P.; Angevine, W. M.; Evan, S.; Dingwell, A.; Fast, Jerome D.; Easter, Richard C.; Pisso, I.; Bukhart, J.; Wotawa, G.

    2013-11-01

    The Lagrangian particle dispersion model FLEXPART was originally designed for cal- culating long-range and mesoscale dispersion of air pollutants from point sources, such as after an accident in a nuclear power plant. In the meantime FLEXPART has evolved into a comprehensive tool for atmospheric transport modeling and analysis at different scales. This multiscale need from the modeler community has encouraged new developments in FLEXPART. In this document, we present a version that works with the Weather Research and Forecasting (WRF) mesoscale meteoro- logical model. Simple procedures on how to run FLEXPART-WRF are presented along with special options and features that differ from its predecessor versions. In addition, test case data, the source code and visualization tools are provided to the reader as supplementary material.

  13. Towards New Empirical Versions of Financial and Accounting Models Corrected for Measurement Errors

    OpenAIRE

    Francois-Éric Racicot; Raymond Théoret; Alain Coen

    2006-01-01

    In this paper, we propose a new empirical version of the Fama and French Model based on the Hausman (1978) specification test and aimed at discarding measurement errors in the variables. The proposed empirical framework is general enough to be used for correcting other financial and accounting models of measurement errors. Removing measurement errors is important at many levels as information disclosure, corporate governance and protection of investors.

  14. Global atmospheric model for mercury including oxidation by bromine atoms

    Directory of Open Access Journals (Sweden)

    C. D. Holmes

    2010-12-01

    Full Text Available Global models of atmospheric mercury generally assume that gas-phase OH and ozone are the main oxidants converting Hg0 to HgII and thus driving mercury deposition to ecosystems. However, thermodynamic considerations argue against the importance of these reactions. We demonstrate here the viability of atomic bromine (Br as an alternative Hg0 oxidant. We conduct a global 3-D simulation with the GEOS-Chem model assuming gas-phase Br to be the sole Hg0 oxidant (Hg + Br model and compare to the previous version of the model with OH and ozone as the sole oxidants (Hg + OH/O3 model. We specify global 3-D Br concentration fields based on our best understanding of tropospheric and stratospheric Br chemistry. In both the Hg + Br and Hg + OH/O3 models, we add an aqueous photochemical reduction of HgII in cloud to impose a tropospheric lifetime for mercury of 6.5 months against deposition, as needed to reconcile observed total gaseous mercury (TGM concentrations with current estimates of anthropogenic emissions. This added reduction would not be necessary in the Hg + Br model if we adjusted the Br oxidation kinetics downward within their range of uncertainty. We find that the Hg + Br and Hg + OH/O3 models are equally capable of reproducing the spatial distribution of TGM and its seasonal cycle at northern mid-latitudes. The Hg + Br model shows a steeper decline of TGM concentrations from the tropics to southern mid-latitudes. Only the Hg + Br model can reproduce the springtime depletion and summer rebound of TGM observed at polar sites; the snowpack component of GEOS-Chem suggests that 40% of HgII deposited to snow in the Arctic is transferred to the ocean and land reservoirs, amounting to a net deposition flux to the Arctic of 60 Mg a−1. Summertime events of depleted Hg0 at Antarctic sites due to subsidence are much better simulated by

  15. Description and evaluation of the Model for Ozone and Related chemical Tracers, version 4 (MOZART-4

    Directory of Open Access Journals (Sweden)

    L. K. Emmons

    2010-01-01

    Full Text Available The Model for Ozone and Related chemical Tracers, version 4 (MOZART-4 is an offline global chemical transport model particularly suited for studies of the troposphere. The updates of the model from its previous version MOZART-2 are described, including an expansion of the chemical mechanism to include more detailed hydrocarbon chemistry and bulk aerosols. Online calculations of a number of processes, such as dry deposition, emissions of isoprene and monoterpenes and photolysis frequencies, are now included. Results from an eight-year simulation (2000–2007 are presented and evaluated. The MOZART-4 source code and standard input files are available for download from the NCAR Community Data Portal (http://cdp.ucar.edu.

  16. A one-dimensional material transfer model for HECTR version 1.5

    International Nuclear Information System (INIS)

    Geller, A.S.; Wong, C.C.

    1991-08-01

    HECTR (Hydrogen Event Containment Transient Response) is a lumped-parameter computer code developed for calculating the pressure-temperature response to combustion in a nuclear power plant containment building. The code uses a control-volume approach and subscale models to simulate the mass, momentum, and energy transfer occurring in the containment during a loss-of-collant-accident (LOCA). This document describes one-dimensional subscale models for mass and momentum transfer, and the modifications to the code required to implement them. Two problems were analyzed: the first corresponding to a standard problem studied with previous HECTR versions, the second to experiments. The performance of the revised code relative to previous HECTR version is discussed as is the ability of the code to model the experiments. 8 refs., 5 figs., 3 tabs

  17. The Hamburg Oceanic Carbon Cycle Circulation Model. Version 1. Version 'HAMOCC2s' for long time integrations

    Energy Technology Data Exchange (ETDEWEB)

    Heinze, C.; Maier-Reimer, E. [Max-Planck-Institut fuer Meteorologie, Hamburg (Germany)

    1999-11-01

    The Hamburg Ocean Carbon Cycle Circulation Model (HAMOCC, configuration HAMOCC2s) predicts the atmospheric carbon dioxide partial pressure (as induced by oceanic processes), production rates of biogenic particulate matter, and geochemical tracer distributions in the water column as well as the bioturbated sediment. Besides the carbon cycle this model version includes also the marine silicon cycle (silicic acid in the water column and the sediment pore waters, biological opal production, opal flux through the water column and opal sediment pore water interaction). The model is based on the grid and geometry of the LSG ocean general circulation model (see the corresponding manual, LSG=Large Scale Geostrophic) and uses a velocity field provided by the LSG-model in 'frozen' state. In contrast to the earlier version of the model (see Report No. 5), the present version includes a multi-layer sediment model of the bioturbated sediment zone, allowing for variable tracer inventories within the complete model system. (orig.)

  18. Hydrogeochemical evaluation of the Simpevarp area, model version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    Laaksoharju, Marcus (ed.) [Geopoint AB, Stockholm (Sweden); Smellie, John [Conterra AB, Uppsala (Sweden); Gimeno, Maria; Auque, Luis; Gomez, Javier [Univ. of Zaragoza (Spain). Dept. of Earth Sciences; Tullborg, Eva-Lena [Terralogica AB, Graabo (Sweden); Gurban, Ioana [3D-Terra (Sweden)

    2004-02-01

    of the groundwaters are brackish (Cl < 5000 mg/L), except for three samples from KSH01A (at 253 m and 439 m depth) which are saline. Most surface waters are of Ca-HCO3 or Na-Ca-HCO3 type and naturally the sea water is of Na-Cl type. The deeper groundwaters are mainly of Na-Ca-Cl type. The modelling indicated three water types, one dominated by meteoric water, the other affected by marine water and the third affected by glacial water. The surface meteoric type shows seasonal variations. Closer to the coast the influence of marine water is detected. With depth the saline groundwater has been affected by glacial melt water and meteoric water. The present state of knowledge of the reactive system is that the main water-rock interaction processes that affect the chemistry in the fresh meteoric waters are: a) decomposition of organic matter, b) calcite, plagioclase, biotite and sulphide dissolution, c) Na-Ca ion exchange, and d) phyllosilicate precipitation probably extremely slow in the present low temperature environment. In contrast, for the brackish-saline groundwater the water/rock interaction processes seem to be less important although this has not been established because of a lack of data. At the moment, multiple end-member mixing between marine water, glacial meltwater and deeper saline water seem to play a significant role. Based on presently available data, the groundwater sample at 250 m depth, although not representative of repository depths, met the groundwater criterion established by SKB concerning the measured Eh, pH, TDS and Ca+Mg values. The redox system at this depth is controlled by the presence of iron oxides/iron hydroxides or sulphide minerals. In this evaluation the postglacial groundwater scenario model has been updated, the salinity distribution, mixing processes and the major reactions altering the groundwaters have been modelled down to a depth of 250 m and a new Hydrogeochemical Site Descriptive Model version 1.1 has been produced. A 3D

  19. Digital elevation models for site investigation programme in Oskarshamn. Site description version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Brydsten, Lars; Stroemgren, Maarten [Umeaa Univ. (Sweden). Dept. of Biology and Environmental Science

    2005-06-01

    In the Oskarshamn area, a digital elevation model has been produced using elevation data from many elevation sources on both land and sea. Many elevation model users are only interested in elevation models over land, so the model has been designed in three versions: Version 1 describes land surface, lake water surface, and sea bottom. Version 2 describes land surface, sediment levels at lake bottoms, and sea bottoms. Version 3 describes land surface, sediment levels at lake bottoms, and sea surface. In cases where the different sources of data were not in point form 'such as existing elevation models of land or depth lines from nautical charts' they have been converted to point values using GIS software. Because data from some sources often overlaps with data from other sources, several tests were conducted to determine if both sources of data or only one source would be included in the dataset used for the interpolation procedure. The tests resulted in the decision to use only the source judged to be of highest quality for most areas with overlapping data sources. All data were combined into a database of approximately 3.3 million points unevenly spread over an area of about 800 km{sup 2}. The large number of data points made it difficult to construct the model with a single interpolation procedure, the area was divided into 28 sub-models that were processed one by one and finally merged together into one single model. The software ArcGis 8.3 and its extension Geostatistical Analysis were used for the interpolation. The Ordinary Kriging method was used for interpolation. This method allows both a cross validation and a validation before the interpolation is conducted. Cross validation with different Kriging parameters were performed and the model with the most reasonable statistics was chosen. Finally, a validation with the most appropriate Kriging parameters was performed in order to verify that the model fit unmeasured localities. Since both the

  20. Digital elevation models for site investigation programme in Oskarshamn. Site description version 1.2

    International Nuclear Information System (INIS)

    Brydsten, Lars; Stroemgren, Maarten

    2005-06-01

    In the Oskarshamn area, a digital elevation model has been produced using elevation data from many elevation sources on both land and sea. Many elevation model users are only interested in elevation models over land, so the model has been designed in three versions: Version 1 describes land surface, lake water surface, and sea bottom. Version 2 describes land surface, sediment levels at lake bottoms, and sea bottoms. Version 3 describes land surface, sediment levels at lake bottoms, and sea surface. In cases where the different sources of data were not in point form 'such as existing elevation models of land or depth lines from nautical charts' they have been converted to point values using GIS software. Because data from some sources often overlaps with data from other sources, several tests were conducted to determine if both sources of data or only one source would be included in the dataset used for the interpolation procedure. The tests resulted in the decision to use only the source judged to be of highest quality for most areas with overlapping data sources. All data were combined into a database of approximately 3.3 million points unevenly spread over an area of about 800 km 2 . The large number of data points made it difficult to construct the model with a single interpolation procedure, the area was divided into 28 sub-models that were processed one by one and finally merged together into one single model. The software ArcGis 8.3 and its extension Geostatistical Analysis were used for the interpolation. The Ordinary Kriging method was used for interpolation. This method allows both a cross validation and a validation before the interpolation is conducted. Cross validation with different Kriging parameters were performed and the model with the most reasonable statistics was chosen. Finally, a validation with the most appropriate Kriging parameters was performed in order to verify that the model fit unmeasured localities. Since both the quality and the

  1. Thermal modelling. Preliminary site description. Forsmark area - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta [Geo Innova AB, Linkoeping (Sweden)

    2005-08-01

    This report presents the thermal site descriptive model for the Forsmark area, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at canister scale has been modelled for two different lithological domains (RFM029 and RFM012, both dominated by granite to granodiorite (101057)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Two alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Forsmark area, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. Results indicate that the mean of thermal conductivity is expected to exhibit a small variation between the different domains, 3.46 W/(mxK) for RFM012 to 3.55 W/(mxK) for RFM029. The spatial distribution of the thermal conductivity does not follow a simple model. Lower and upper 95% confidence limits are based on the modelling results, but have been rounded of to only two significant figures. Consequently, the lower limit is 2.9 W/(mxK), while the upper is 3.8 W/(mxK). This is applicable to both the investigated domains. The temperature dependence is rather small with a decrease in thermal conductivity of 10.0% per 100 deg C increase in temperature for the dominating rock type. There are a number of important uncertainties associated with these results. One of the uncertainties considers the representative scale for the canister. Another important uncertainty is the methodological uncertainties associated with the upscaling of thermal conductivity from cm-scale to canister scale. In addition, the representativeness of rock samples is

  2. A framework for expanding aqueous chemistry in the Community Multiscale Air Quality (CMAQ) model version 5.1

    Science.gov (United States)

    Fahey, Kathleen M.; Carlton, Annmarie G.; Pye, Havala O. T.; Baek, Jaemeen; Hutzell, William T.; Stanier, Charles O.; Baker, Kirk R.; Wyat Appel, K.; Jaoui, Mohammed; Offenberg, John H.

    2017-04-01

    This paper describes the development and implementation of an extendable aqueous-phase chemistry option (AQCHEM - KMT(I)) for the Community Multiscale Air Quality (CMAQ) modeling system, version 5.1. Here, the Kinetic PreProcessor (KPP), version 2.2.3, is used to generate a Rosenbrock solver (Rodas3) to integrate the stiff system of ordinary differential equations (ODEs) that describe the mass transfer, chemical kinetics, and scavenging processes of CMAQ clouds. CMAQ's standard cloud chemistry module (AQCHEM) is structurally limited to the treatment of a simple chemical mechanism. This work advances our ability to test and implement more sophisticated aqueous chemical mechanisms in CMAQ and further investigate the impacts of microphysical parameters on cloud chemistry. Box model cloud chemistry simulations were performed to choose efficient solver and tolerance settings, evaluate the implementation of the KPP solver, and assess the direct impacts of alternative solver and kinetic mass transfer on predicted concentrations for a range of scenarios. Month-long CMAQ simulations for winter and summer periods over the US reveal the changes in model predictions due to these cloud module updates within the full chemical transport model. While monthly average CMAQ predictions are not drastically altered between AQCHEM and AQCHEM - KMT, hourly concentration differences can be significant. With added in-cloud secondary organic aerosol (SOA) formation from biogenic epoxides (AQCHEM - KMTI), normalized mean error and bias statistics are slightly improved for 2-methyltetrols and 2-methylglyceric acid at the Research Triangle Park measurement site in North Carolina during the Southern Oxidant and Aerosol Study (SOAS) period. The added in-cloud chemistry leads to a monthly average increase of 11-18 % in cloud SOA at the surface in the eastern United States for June 2013.

  3. Thermal site descriptive model. A strategy for the model development during site investigations - version 2

    Energy Technology Data Exchange (ETDEWEB)

    Back, Paer-Erik; Sundberg, Jan [Geo Innova AB (Sweden)

    2007-09-15

    This report presents a strategy for describing, predicting and visualising the thermal aspects of the site descriptive model. The strategy is an updated version of an earlier strategy applied in all SDM versions during the initial site investigation phase at the Forsmark and Oskarshamn areas. The previous methodology for thermal modelling did not take the spatial correlation fully into account during simulation. The result was that the variability of thermal conductivity in the rock mass was not sufficiently well described. Experience from earlier thermal SDMs indicated that development of the methodology was required in order describe the spatial distribution of thermal conductivity in the rock mass in a sufficiently reliable way, taking both variability within rock types and between rock types into account. A good description of the thermal conductivity distribution is especially important for the lower tail. This tail is important for the design of a repository because it affects the canister spacing. The presented approach is developed to be used for final SDM regarding thermal properties, primarily thermal conductivity. Specific objectives for the strategy of thermal stochastic modelling are: Description: statistical description of the thermal conductivity of a rock domain. Prediction: prediction of thermal conductivity in a specific rock volume. Visualisation: visualisation of the spatial distribution of thermal conductivity. The thermal site descriptive model should include the temperature distribution and thermal properties of the rock mass. The temperature is the result of the thermal processes in the repository area. Determination of thermal transport properties can be made using different methods, such as laboratory investigations, field measurements, modelling from mineralogical composition and distribution, modelling from density logging and modelling from temperature logging. The different types of data represent different scales, which has to be

  4. Thermal site descriptive model. A strategy for the model development during site investigations - version 2

    International Nuclear Information System (INIS)

    Back, Paer-Erik; Sundberg, Jan

    2007-09-01

    This report presents a strategy for describing, predicting and visualising the thermal aspects of the site descriptive model. The strategy is an updated version of an earlier strategy applied in all SDM versions during the initial site investigation phase at the Forsmark and Oskarshamn areas. The previous methodology for thermal modelling did not take the spatial correlation fully into account during simulation. The result was that the variability of thermal conductivity in the rock mass was not sufficiently well described. Experience from earlier thermal SDMs indicated that development of the methodology was required in order describe the spatial distribution of thermal conductivity in the rock mass in a sufficiently reliable way, taking both variability within rock types and between rock types into account. A good description of the thermal conductivity distribution is especially important for the lower tail. This tail is important for the design of a repository because it affects the canister spacing. The presented approach is developed to be used for final SDM regarding thermal properties, primarily thermal conductivity. Specific objectives for the strategy of thermal stochastic modelling are: Description: statistical description of the thermal conductivity of a rock domain. Prediction: prediction of thermal conductivity in a specific rock volume. Visualisation: visualisation of the spatial distribution of thermal conductivity. The thermal site descriptive model should include the temperature distribution and thermal properties of the rock mass. The temperature is the result of the thermal processes in the repository area. Determination of thermal transport properties can be made using different methods, such as laboratory investigations, field measurements, modelling from mineralogical composition and distribution, modelling from density logging and modelling from temperature logging. The different types of data represent different scales, which has to be

  5. COMODI: an ontology to characterise differences in versions of computational models in biology.

    Science.gov (United States)

    Scharm, Martin; Waltemath, Dagmar; Mendes, Pedro; Wolkenhauer, Olaf

    2016-07-11

    Open model repositories provide ready-to-reuse computational models of biological systems. Models within those repositories evolve over time, leading to different model versions. Taken together, the underlying changes reflect a model's provenance and thus can give valuable insights into the studied biology. Currently, however, changes cannot be semantically interpreted. To improve this situation, we developed an ontology of terms describing changes in models. The ontology can be used by scientists and within software to characterise model updates at the level of single changes. When studying or reusing a model, these annotations help with determining the relevance of a change in a given context. We manually studied changes in selected models from BioModels and the Physiome Model Repository. Using the BiVeS tool for difference detection, we then performed an automatic analysis of changes in all models published in these repositories. The resulting set of concepts led us to define candidate terms for the ontology. In a final step, we aggregated and classified these terms and built the first version of the ontology. We present COMODI, an ontology needed because COmputational MOdels DIffer. It empowers users and software to describe changes in a model on the semantic level. COMODI also enables software to implement user-specific filter options for the display of model changes. Finally, COMODI is a step towards predicting how a change in a model influences the simulation results. COMODI, coupled with our algorithm for difference detection, ensures the transparency of a model's evolution, and it enhances the traceability of updates and error corrections. COMODI is encoded in OWL. It is openly available at http://comodi.sems.uni-rostock.de/ .

  6. GARUSO - Version 1.0. Uncertainty model for multipath ultrasonic transit time gas flow meters

    Energy Technology Data Exchange (ETDEWEB)

    Lunde, Per; Froeysa, Kjell-Eivind; Vestrheim, Magne

    1997-09-01

    This report describes an uncertainty model for ultrasonic transit time gas flow meters configured with parallel chords, and a PC program, GARUSO Version 1.0, implemented for calculation of the meter`s relative expanded uncertainty. The program, which is based on the theoretical uncertainty model, is used to carry out a simplified and limited uncertainty analysis for a 12`` 4-path meter, where examples of input and output uncertainties are given. The model predicts a relative expanded uncertainty for the meter at a level which further justifies today`s increasing tendency to use this type of instruments for fiscal metering of natural gas. 52 refs., 15 figs., 11 tabs.

  7. A multisensor evaluation of the asymmetric convective model, version 2, in southeast Texas.

    Science.gov (United States)

    Kolling, Jenna S; Pleim, Jonathan E; Jeffries, Harvey E; Vizuete, William

    2013-01-01

    There currently exist a number of planetary boundary layer (PBL) schemes that can represent the effects of turbulence in daytime convective conditions, although these schemes remain a large source of uncertainty in meteorology and air quality model simulations. This study evaluates a recently developed combined local and nonlocal closure PBL scheme, the Asymmetric Convective Model, version 2 (ACM2), against PBL observations taken from radar wind profilers, a ground-based lidar, and multiple daytime radiosonde balloon launches. These observations were compared against predictions of PBLs from the Weather Research and Forecasting (WRF) model version 3.1 with the ACM2 PBL scheme option, and the Fifth-Generation Meteorological Model (MM5) version 3.7.3 with the Eta PBL scheme option that is currently being used to develop ozone control strategies in southeast Texas. MM5 and WRF predictions during the regulatory modeling episode were evaluated on their ability to predict the rise and fall of the PBL during daytime convective conditions across southeastern Texas. The MM5 predicted PBLs consistently underpredicted observations, and were also less than the WRF PBL predictions. The analysis reveals that the MM5 predicted a slower rising and shallower PBL not representative of the daytime urban boundary layer. Alternatively, the WRF model predicted a more accurate PBL evolution improving the root mean square error (RMSE), both temporally and spatially. The WRF model also more accurately predicted vertical profiles of temperature and moisture in the lowest 3 km of the atmosphere. Inspection of median surface temperature and moisture time-series plots revealed higher predicted surface temperatures in WRF and more surface moisture in MM5. These could not be attributed to surface heat fluxes, and thus the differences in performance of the WRF and MM5 models are likely due to the PBL schemes. An accurate depiction of the diurnal evolution of the planetary boundary layer (PBL) is

  8. Incorporation of detailed eye model into polygon-mesh versions of ICRP-110 reference phantoms.

    Science.gov (United States)

    Nguyen, Thang Tat; Yeom, Yeon Soo; Kim, Han Sung; Wang, Zhao Jun; Han, Min Cheol; Kim, Chan Hyeong; Lee, Jai Ki; Zankl, Maria; Petoussi-Henss, Nina; Bolch, Wesley E; Lee, Choonsik; Chung, Beom Sun

    2015-11-21

    The dose coefficients for the eye lens reported in ICRP 2010 Publication 116 were calculated using both a stylized model and the ICRP-110 reference phantoms, according to the type of radiation, energy, and irradiation geometry. To maintain consistency of lens dose assessment, in the present study we incorporated the ICRP-116 detailed eye model into the converted polygon-mesh (PM) version of the ICRP-110 reference phantoms. After the incorporation, the dose coefficients for the eye lens were calculated and compared with those of the ICRP-116 data. The results showed generally a good agreement between the newly calculated lens dose coefficients and the values of ICRP 2010 Publication 116. Significant differences were found for some irradiation cases due mainly to the use of different types of phantoms. Considering that the PM version of the ICRP-110 reference phantoms preserve the original topology of the ICRP-110 reference phantoms, it is believed that the PM version phantoms, along with the detailed eye model, provide more reliable and consistent dose coefficients for the eye lens.

  9. Incremental testing of the Community Multiscale Air Quality (CMAQ modeling system version 4.7

    Directory of Open Access Journals (Sweden)

    K. M. Foley

    2010-03-01

    Full Text Available This paper describes the scientific and structural updates to the latest release of the Community Multiscale Air Quality (CMAQ modeling system version 4.7 (v4.7 and points the reader to additional resources for further details. The model updates were evaluated relative to observations and results from previous model versions in a series of simulations conducted to incrementally assess the effect of each change. The focus of this paper is on five major scientific upgrades: (a updates to the heterogeneous N2O5 parameterization, (b improvement in the treatment of secondary organic aerosol (SOA, (c inclusion of dynamic mass transfer for coarse-mode aerosol, (d revisions to the cloud model, and (e new options for the calculation of photolysis rates. Incremental test simulations over the eastern United States during January and August 2006 are evaluated to assess the model response to each scientific improvement, providing explanations of differences in results between v4.7 and previously released CMAQ model versions. Particulate sulfate predictions are improved across all monitoring networks during both seasons due to cloud module updates. Numerous updates to the SOA module improve the simulation of seasonal variability and decrease the bias in organic carbon predictions at urban sites in the winter. Bias in the total mass of fine particulate matter (PM2.5 is dominated by overpredictions of unspeciated PM2.5 (PMother in the winter and by underpredictions of carbon in the summer. The CMAQv4.7 model results show slightly worse performance for ozone predictions. However, changes to the meteorological inputs are found to have a much greater impact on ozone predictions compared to changes to the CMAQ modules described here. Model updates had little effect on existing biases in wet deposition predictions.

  10. Statistical model of fractures and deformation zones. Preliminary site description, Laxemar subarea, version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Hermanson, Jan; Forssberg, Ola [Golder Associates AB, Stockholm (Sweden); Fox, Aaron; La Pointe, Paul [Golder Associates Inc., Redmond, WA (United States)

    2005-10-15

    The goal of this summary report is to document the data sources, software tools, experimental methods, assumptions, and model parameters in the discrete-fracture network (DFN) model for the local model volume in Laxemar, version 1.2. The model parameters presented herein are intended for use by other project modeling teams. Individual modeling teams may elect to simplify or use only a portion of the DFN model, depending on their needs. This model is not intended to be a flow model or a mechanical model; as such, only the geometrical characterization is presented. The derivations of the hydraulic or mechanical properties of the fractures or their subsurface connectivities are not within the scope of this report. This model represents analyses carried out on particular data sets. If additional data are obtained, or values for existing data are changed or excluded, the conclusions reached in this report, and the parameter values calculated, may change as well. The model volume is divided into two subareas; one located on the Simpevarp peninsula adjacent to the power plant (Simpevarp), and one further to the west (Laxemar). The DFN parameters described in this report were determined by analysis of data collected within the local model volume. As such, the final DFN model is only valid within this local model volume and the modeling subareas (Laxemar and Simpevarp) within.

  11. A computationally efficient description of heterogeneous freezing: A simplified version of the Soccer ball model

    Science.gov (United States)

    Niedermeier, Dennis; Ervens, Barbara; Clauss, Tina; Voigtländer, Jens; Wex, Heike; Hartmann, Susan; Stratmann, Frank

    2014-01-01

    In a recent study, the Soccer ball model (SBM) was introduced for modeling and/or parameterizing heterogeneous ice nucleation processes. The model applies classical nucleation theory. It allows for a consistent description of both apparently singular and stochastic ice nucleation behavior, by distributing contact angles over the nucleation sites of a particle population assuming a Gaussian probability density function. The original SBM utilizes the Monte Carlo technique, which hampers its usage in atmospheric models, as fairly time-consuming calculations must be performed to obtain statistically significant results. Thus, we have developed a simplified and computationally more efficient version of the SBM. We successfully used the new SBM to parameterize experimental nucleation data of, e.g., bacterial ice nucleation. Both SBMs give identical results; however, the new model is computationally less expensive as confirmed by cloud parcel simulations. Therefore, it is a suitable tool for describing heterogeneous ice nucleation processes in atmospheric models.

  12. Investigation of Zircaloy-2 oxidation model for SFP accident analysis

    Energy Technology Data Exchange (ETDEWEB)

    Nemoto, Yoshiyuki, E-mail: nemoto.yoshiyuki@jaea.go.jp [Japan Atomic Energy Agency, 2-4 Shirakata, Ohaza, Tokai-mura, Naka-gun, Ibaraki, 319-1195 (Japan); Kaji, Yoshiyuki; Ogawa, Chihiro; Kondo, Keietsu [Japan Atomic Energy Agency, 2-4 Shirakata, Ohaza, Tokai-mura, Naka-gun, Ibaraki, 319-1195 (Japan); Nakashima, Kazuo; Kanazawa, Toru; Tojo, Masayuki [Global Nuclear Fuel – Japan Co., Ltd., 2-3-1, Uchikawa, Yokosuka-shi, Kanagawa, 239-0836 (Japan)

    2017-05-15

    The authors previously conducted thermogravimetric analyses on Zircaloy-2 in air. By using the thermogravimetric data, an oxidation model was constructed in this study so that it can be applied for the modeling of cladding degradation in spent fuel pool (SFP) severe accident condition. For its validation, oxidation tests of long cladding tube were conducted, and computational fluid dynamics analyses using the constructed oxidation model were proceeded to simulate the experiments. In the oxidation tests, high temperature thermal gradient along the cladding axis was applied and air flow rates in testing chamber were controlled to simulate hypothetical SFP accidents. The analytical outputs successfully reproduced the growth of oxide film and porous oxide layer on the claddings in oxidation tests, and validity of the oxidation model was proved. Influence of air flow rate for the oxidation behavior was thought negligible in the conditions investigated in this study. - Highlights: •An oxidation model of Zircaloy-2 in air environment was developed. •The oxidation model was validated by the comparison with oxidation tests using long cladding tubes in hypothetical spent fuel pool accident condition. •The oxidation model successfully reproduced the typical oxidation behavior in air.

  13. Community Land Model Version 3.0 (CLM3.0) Developer's Guide

    Energy Technology Data Exchange (ETDEWEB)

    Hoffman, FM

    2004-12-21

    This document describes the guidelines adopted for software development of the Community Land Model (CLM) and serves as a reference to the entire code base of the released version of the model. The version of the code described here is Version 3.0 which was released in the summer of 2004. This document, the Community Land Model Version 3.0 (CLM3.0) User's Guide (Vertenstein et al., 2004), the Technical Description of the Community Land Model (CLM) (Oleson et al., 2004), and the Community Land Model's Dynamic Global Vegetation Model (CLM-DGVM): Technical Description and User's Guide (Levis et al., 2004) provide the developer, user, or researcher with details of implementation, instructions for using the model, a scientific description of the model, and a scientific description of the Dynamic Global Vegetation Model integrated with CLM respectively. The CLM is a single column (snow-soil-vegetation) biogeophysical model of the land surface which can be run serially (on a laptop or personal computer) or in parallel (using distributed or shared memory processors or both) on both vector and scalar computer architectures. Written in Fortran 90, CLM can be run offline (i.e., run in isolation using stored atmospheric forcing data), coupled to an atmospheric model (e.g., the Community Atmosphere Model (CAM)), or coupled to a climate system model (e.g., the Community Climate System Model Version 3 (CCSM3)) through a flux coupler (e.g., Coupler 6 (CPL6)). When coupled, CLM exchanges fluxes of energy, water, and momentum with the atmosphere. The horizontal land surface heterogeneity is represented by a nested subgrid hierarchy composed of gridcells, landunits, columns, and plant functional types (PFTs). This hierarchical representation is reflected in the data structures used by the model code. Biophysical processes are simulated for each subgrid unit (landunit, column, and PFT) independently, and prognostic variables are maintained for each subgrid unit

  14. The modified version of the centre-of-mass correction to the bag model

    International Nuclear Information System (INIS)

    Bartelski, J.; Tatur, S.

    1986-01-01

    We propose the improvement of the recently considered version of the centre-of-mass correction to the bag model. We identify a nucleon bag with physical nucleon confined in an external fictitious spherical well potential with an additional external fictitious pressure characterized by the parameter b. The introduction of such a pressure restores the conservation of the canonical energy-momentum tensor, which was lost in the former model. We propose several methods to determine the numerical value of b. We calculate the Roper resonance mass as well as static electroweak parameters of a nucleon with centre-of-mass corrections taken into account. 7 refs., 1 tab. (author)

  15. Modelling the Krebs cycle and oxidative phosphorylation.

    Science.gov (United States)

    Korla, Kalyani; Mitra, Chanchal K

    2014-01-01

    The Krebs cycle and oxidative phosphorylation are the two most important sets of reactions in a eukaryotic cell that meet the major part of the total energy demands of a cell. In this paper, we present a computer simulation of the coupled reactions using open source tools for simulation. We also show that it is possible to model the Krebs cycle with a simple black box with a few inputs and outputs. However, the kinetics of the internal processes has been modelled using numerical tools. We also show that the Krebs cycle and oxidative phosphorylation together can be combined in a similar fashion - a black box with a few inputs and outputs. The Octave script is flexible and customisable for any chosen set-up for this model. In several cases, we had no explicit idea of the underlying reaction mechanism and the rate determining steps involved, and we have used the stoichiometric equations that can be easily changed as and when more detailed information is obtained. The script includes the feedback regulation of the various enzymes of the Krebs cycle. For the electron transport chain, the pH gradient across the membrane is an essential regulator of the kinetics and this has been modelled empirically but fully consistent with experimental results. The initial conditions can be very easily changed and the simulation is potentially very useful in a number of cases of clinical importance.

  16. MESOI Version 2.0: an interactive mesoscale Lagrangian puff dispersion model with deposition and decay

    International Nuclear Information System (INIS)

    Ramsdell, J.V.; Athey, G.F.; Glantz, C.S.

    1983-11-01

    MESOI Version 2.0 is an interactive Lagrangian puff model for estimating the transport, diffusion, deposition and decay of effluents released to the atmosphere. The model is capable of treating simultaneous releases from as many as four release points, which may be elevated or at ground-level. The puffs are advected by a horizontal wind field that is defined in three dimensions. The wind field may be adjusted for expected topographic effects. The concentration distribution within the puffs is initially assumed to be Gaussian in the horizontal and vertical. However, the vertical concentration distribution is modified by assuming reflection at the ground and the top of the atmospheric mixing layer. Material is deposited on the surface using a source depletion, dry deposition model and a washout coefficient model. The model also treats the decay of a primary effluent species and the ingrowth and decay of a single daughter species using a first order decay process. This report is divided into two parts. The first part discusses the theoretical and mathematical bases upon which MESOI Version 2.0 is based. The second part contains the MESOI computer code. The programs were written in the ANSI standard FORTRAN 77 and were developed on a VAX 11/780 computer. 43 references, 14 figures, 13 tables

  17. A p-version embedded model for simulation of concrete temperature fields with cooling pipes

    Directory of Open Access Journals (Sweden)

    Sheng Qiang

    2015-07-01

    Full Text Available Pipe cooling is an effective method of mass concrete temperature control, but its accurate and convenient numerical simulation is still a cumbersome problem. An improved embedded model, considering the water temperature variation along the pipe, was proposed for simulating the temperature field of early-age concrete structures containing cooling pipes. The improved model was verified with an engineering example. Then, the p-version self-adaption algorithm for the improved embedded model was deduced, and the initial values and boundary conditions were examined. Comparison of some numerical samples shows that the proposed model can provide satisfying precision and a higher efficiency. The analysis efficiency can be doubled at the same precision, even for a large-scale element. The p-version algorithm can fit grids of different sizes for the temperature field simulation. The convenience of the proposed algorithm lies in the possibility of locating more pipe segments in one element without the need of so regular a shape as in the explicit model.

  18. Paraquat: model for oxidant-initiated toxicity

    Energy Technology Data Exchange (ETDEWEB)

    Bus, J.S.; Gibson, J.E.

    1984-04-01

    Paraquat, a quaternary ammonium bipyridyl herbicide, produces degenerative lesions in the lung after systemic administration to man and animals. The pulmonary toxicity of paraquat resembles in several ways the toxicity of several other lung toxins, including oxygen, nitrofurantoin and bleomycin. Although a definitive mechanism of toxicity of parquat has not been delineated, a cyclic single electron reduction/oxidation of the parent molecule is a critical mechanistic event. The redox cycling of paraquat has two potentially important consequences relevant to the development of toxicity: generation of activated oxygen (e.g., superoxide anion, hydrogen perioxide, hydroxyl radical) which is highly reactive to cellular macromolecules; and/or oxidation of reducing equivalents (e.g., NADPH, reduced glutathione) necessary for normal cell function. Paraquat-induced pulmonary toxicity, therefore, is a potentially useful model for evaluation of oxidant mechanisms of toxicity. Furthermore, characterization of the consequences of intracellular redox cycling of xenobiotics will no doubt provide basic information regarding the role of this phenomena in the development of chemical toxicity. 105 references, 2 figures.

  19. Description of the new version 4.0 of the tritium model UFOTRI including user guide

    International Nuclear Information System (INIS)

    Raskob, W.

    1993-08-01

    In view of the future operation of fusion reactors the release of tritium may play a dominant role during normal operation as well as after accidents. Because of its physical and chemical properties which differ significantly from those of other radionuclides, the model UFOTRI for assessing the radiological consequences of accidental tritium releases has been developed. It describes the behaviour of tritium in the biosphere and calculates the radiological impact on individuals and the population due to the direct exposure and by the ingestion pathways. Processes such as the conversion of tritium gas into tritiated water (HTO) in the soil, re-emission after deposition and the conversion of HTO into organically bound tritium, are considered. The use of UFOTRI in its probabilistic mode shows the spectrum of the radiological impact together with the associated probability of occurrence. A first model version was established in 1991. As the ongoing work on investigating the main processes of the tritium behaviour in the environment shows up new results, the model has been improved in several points. The report describes the changes incorporated into the model since 1991. Additionally provides the up-dated user guide for handling the revised UFOTRI version which will be distributed to interested organizations. (orig.) [de

  20. Mathematical modeling of solid oxide fuel cells

    Science.gov (United States)

    Lu, Cheng-Yi; Maloney, Thomas M.

    1988-01-01

    Development of predictive techniques, with regard to cell behavior, under various operating conditions is needed to improve cell performance, increase energy density, reduce manufacturing cost, and to broaden utilization of various fuels. Such technology would be especially beneficial for the solid oxide fuel cells (SOFC) at it early demonstration stage. The development of computer models to calculate the temperature, CD, reactant distributions in the tubular and monolithic SOFCs. Results indicate that problems of nonuniform heat generation and fuel gas depletion in the tubular cell module, and of size limitions in the monolithic (MOD 0) design may be encountered during FC operation.

  1. Dynamic Computation of Change Operations in Version Management of Business Process Models

    Science.gov (United States)

    Küster, Jochen Malte; Gerth, Christian; Engels, Gregor

    Version management of business process models requires that changes can be resolved by applying change operations. In order to give a user maximal freedom concerning the application order of change operations, position parameters of change operations must be computed dynamically during change resolution. In such an approach, change operations with computed position parameters must be applicable on the model and dependencies and conflicts of change operations must be taken into account because otherwise invalid models can be constructed. In this paper, we study the concept of partially specified change operations where parameters are computed dynamically. We provide a formalization for partially specified change operations using graph transformation and provide a concept for their applicability. Based on this, we study potential dependencies and conflicts of change operations and show how these can be taken into account within change resolution. Using our approach, a user can resolve changes of business process models without being unnecessarily restricted to a certain order.

  2. Update of the Polar SWIFT model for polar stratospheric ozone loss (Polar SWIFT version 2)

    Science.gov (United States)

    Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

    2017-07-01

    The Polar SWIFT model is a fast scheme for calculating the chemistry of stratospheric ozone depletion in polar winter. It is intended for use in global climate models (GCMs) and Earth system models (ESMs) to enable the simulation of mutual interactions between the ozone layer and climate. To date, climate models often use prescribed ozone fields, since a full stratospheric chemistry scheme is computationally very expensive. Polar SWIFT is based on a set of coupled differential equations, which simulate the polar vortex-averaged mixing ratios of the key species involved in polar ozone depletion on a given vertical level. These species are O3, chemically active chlorine (ClOx), HCl, ClONO2 and HNO3. The only external input parameters that drive the model are the fraction of the polar vortex in sunlight and the fraction of the polar vortex below the temperatures necessary for the formation of polar stratospheric clouds. Here, we present an update of the Polar SWIFT model introducing several improvements over the original model formulation. In particular, the model is now trained on vortex-averaged reaction rates of the ATLAS Chemistry and Transport Model, which enables a detailed look at individual processes and an independent validation of the different parameterizations contained in the differential equations. The training of the original Polar SWIFT model was based on fitting complete model runs to satellite observations and did not allow for this. A revised formulation of the system of differential equations is developed, which closely fits vortex-averaged reaction rates from ATLAS that represent the main chemical processes influencing ozone. In addition, a parameterization for the HNO3 change by denitrification is included. The rates of change of the concentrations of the chemical species of the Polar SWIFT model are purely chemical rates of change in the new version, whereas in the original Polar SWIFT model, they included a transport effect caused by the

  3. QMM – A Quarterly Macroeconomic Model of the Icelandic Economy. Version 2.0

    DEFF Research Database (Denmark)

    Ólafsson, Tjörvi

    This paper documents and describes Version 2.0 of the Quarterly Macroeconomic Model of the Central Bank of Iceland (QMM). QMM and the underlying quarterly database have been under construction since 2001 at the Research and Forecasting Division of the Economics Department at the Bank and was first...... implemented in the forecasting round for the Monetary Bulletin 2006/1 in March 2006. QMM is used by the Bank for forecasting and various policy simulations and therefore plays a key role as an organisational framework for viewing the medium-term future when formulating monetary policy at the Bank. This paper...

  4. GOOSE Version 1.4: A powerful object-oriented simulation environment for developing reactor models

    International Nuclear Information System (INIS)

    Nypaver, D.J.; March-Leuba, C.; Abdalla, M.A.; Guimaraes, L.

    1992-01-01

    A prototype software package for a fully interactive Generalized Object-Oriented Simulation Environment (GOOSE) is being developed at Oak Ridge National Laboratory. Dynamic models are easily constructed and tested; fully interactive capabilities allow the user to alter model parameters and complexity without recompilation. This environment provides assess to powerful tools such as numerical integration packages, graphical displays, and online help. In GOOSE, portability has been achieved by creating the environment in Objective-C 1 , which is supported by a variety of platforms including UNIX and DOS. GOOSE Version 1.4 introduces new enhancements like the capability of creating ''initial,'' ''dynamic,'' and ''digital'' methods. The object-oriented approach to simulation used in GOOSE combines the concept of modularity with the additional features of allowing precompilation, optimization, testing, and validation of individual modules. Once a library of classes has been defined and compiled, models can be built and modified without recompilation. GOOSE Version 1.4 is primarily command-line driven

  5. MARMOT update for oxide fuel modeling

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yongfeng [Idaho National Lab. (INL), Idaho Falls, ID (United States); Schwen, Daniel [Idaho National Lab. (INL), Idaho Falls, ID (United States); Chakraborty, Pritam [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jiang, Chao [Idaho National Lab. (INL), Idaho Falls, ID (United States); Aagesen, Larry [Idaho National Lab. (INL), Idaho Falls, ID (United States); Ahmed, Karim [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jiang, Wen [Idaho National Lab. (INL), Idaho Falls, ID (United States); Biner, Bulent [Idaho National Lab. (INL), Idaho Falls, ID (United States); Bai, Xianming [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States); Tonks, Michael [Pennsylvania State Univ., University Park, PA (United States); Millett, Paul [Univ. of Arkansas, Fayetteville, AR (United States)

    2016-09-01

    This report summarizes the lower-length-scale research and development progresses in FY16 at Idaho National Laboratory in developing mechanistic materials models for oxide fuels, in parallel to the development of the MARMOT code which will be summarized in a separate report. This effort is a critical component of the microstructure based fuel performance modeling approach, supported by the Fuels Product Line in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. The progresses can be classified into three categories: 1) development of materials models to be used in engineering scale fuel performance modeling regarding the effect of lattice defects on thermal conductivity, 2) development of modeling capabilities for mesoscale fuel behaviors including stage-3 gas release, grain growth, high burn-up structure, fracture and creep, and 3) improved understanding in material science by calculating the anisotropic grain boundary energies in UO$_2$ and obtaining thermodynamic data for solid fission products. Many of these topics are still under active development. They are updated in the report with proper amount of details. For some topics, separate reports are generated in parallel and so stated in the text. The accomplishments have led to better understanding of fuel behaviors and enhance capability of the MOOSE-BISON-MARMOT toolkit.

  6. A RETRAN-02 model of the Sizewell B PCSR design - the Winfrith one-loop model, version 3.0

    International Nuclear Information System (INIS)

    Kinnersly, S.R.

    1983-11-01

    A one-loop RETRAN-02 model of the Sizewell B Pre Construction Safety Report (PCSR) design, set up at Winfrith, is described and documented. The model is suitable for symmetrical pressurised transients. Comparison with data from the Sizewell B PCSR shows that the model is a good representation of that design. Known errors, limitations and deficiencies are described. The mode of storage and maintenance at Winfrith using PROMUS (Program Maintenance and Update System) is noted. It is recommended that users modify the standard data by adding replacement cards to the end so as to aid in identification, use and maintenance of local versions. (author)

  7. The Systems Biology Markup Language (SBML) Level 3 Package: Qualitative Models, Version 1, Release 1.

    Science.gov (United States)

    Chaouiya, Claudine; Keating, Sarah M; Berenguier, Duncan; Naldi, Aurélien; Thieffry, Denis; van Iersel, Martijn P; Le Novère, Nicolas; Helikar, Tomáš

    2015-09-04

    Quantitative methods for modelling biological networks require an in-depth knowledge of the biochemical reactions and their stoichiometric and kinetic parameters. In many practical cases, this knowledge is missing. This has led to the development of several qualitative modelling methods using information such as, for example, gene expression data coming from functional genomic experiments. The SBML Level 3 Version 1 Core specification does not provide a mechanism for explicitly encoding qualitative models, but it does provide a mechanism for SBML packages to extend the Core specification and add additional syntactical constructs. The SBML Qualitative Models package for SBML Level 3 adds features so that qualitative models can be directly and explicitly encoded. The approach taken in this package is essentially based on the definition of regulatory or influence graphs. The SBML Qualitative Models package defines the structure and syntax necessary to describe qualitative models that associate discrete levels of activities with entity pools and the transitions between states that describe the processes involved. This is particularly suited to logical models (Boolean or multi-valued) and some classes of Petri net models can be encoded with the approach.

  8. Landfill Gas Energy Cost Model Version 3.0 (LFGcost-Web V3 ...

    Science.gov (United States)

    To help stakeholders estimate the costs of a landfill gas (LFG) energy project, in 2002, LMOP developed a cost tool (LFGcost). Since then, LMOP has routinely updated the tool to reflect changes in the LFG energy industry. Initially the model was designed for EPA to assist landfills in evaluating the economic and financial feasibility of LFG energy project development. In 2014, LMOP developed a public version of the model, LFGcost-Web (Version 3.0), to allow landfill and industry stakeholders to evaluate project feasibility on their own. LFGcost-Web can analyze costs for 12 energy recovery project types. These project costs can be estimated with or without the costs of a gas collection and control system (GCCS). The EPA used select equations from LFGcost-Web to estimate costs of the regulatory options in the 2015 proposed revisions to the MSW Landfills Standards of Performance (also known as New Source Performance Standards) and the Emission Guidelines (herein thereafter referred to collectively as the Landfill Rules). More specifically, equations derived from LFGcost-Web were applied to each landfill expected to be impacted by the Landfill Rules to estimate annualized installed capital costs and annual O&M costs of a gas collection and control system. In addition, after applying the LFGcost-Web equations to the list of landfills expected to require a GCCS in year 2025 as a result of the proposed Landfill Rules, the regulatory analysis evaluated whether electr

  9. Forsmark site investigation. Assessment of the validity of the rock domain model, version 1.2, based on the modelling of gravity and petrophysical data

    International Nuclear Information System (INIS)

    Isaksson, Hans; Stephens, Michael B.

    2007-11-01

    This document reports the results gained by the geophysical modelling of rock domains based on gravity and petrophysical data, which is one of the activities performed within the site investigation work at Forsmark. The main objective with this activity is to assess the validity of the geological rock domain model version 1.2, and to identify discrepancies in the model that may indicate a need for revision of the model or a need for additional investigations. The verification is carried out by comparing the calculated gravity model response, which takes account of the geological model, with a local gravity anomaly that represents the measured data. The model response is obtained from the three-dimensional geometry and the petrophysical data provided for each rock domain in the geological model. Due to model boundary conditions, the study is carried out in a smaller area within the regional model area. Gravity model responses are calculated in three stages; an initial model, a base model and a refined base model. The refined base model is preferred and is used for comparison purposes. In general, there is a good agreement between the refined base model that makes use of the rock domain model, version 1.2 and the measured gravity data, not least where it concerns the depth extension of the critical rock domain RFM029. The most significant discrepancy occurs in the area extending from the SFR office to the SFR underground facility and further to the northwest. It is speculated that this discrepancy is caused by a combination of an overestimation of the volume of gabbro (RFM016) that plunges towards the southeast in the rock domain model, and an underestimation of the volume of occurrence of pegmatite and pegmatitic granite that are known to be present and occur as larger bodies around SFR. Other discrepancies are noted in rock domain RFM022, which is considered to be overestimated in the rock domain model, version 1.2, and in rock domain RFM017, where the gravity

  10. LERC-SLAM - THE NASA LEWIS RESEARCH CENTER SATELLITE LINK ATTENUATION MODEL PROGRAM (IBM PC VERSION)

    Science.gov (United States)

    Manning, R. M.

    1994-01-01

    The frequency and intensity of rain attenuation affecting the communication between a satellite and an earth terminal is an important consideration in planning satellite links. The NASA Lewis Research Center Satellite Link Attenuation Model Program (LeRC-SLAM) provides a static and dynamic statistical assessment of the impact of rain attenuation on a communications link established between an earth terminal and a geosynchronous satellite. The program is designed for use in the specification, design and assessment of satellite links for any terminal location in the continental United States. The basis for LeRC-SLAM is the ACTS Rain Attenuation Prediction Model, which uses a log-normal cumulative probability distribution to describe the random process of rain attenuation on satellite links. The derivation of the statistics for the rainrate process at the specified terminal location relies on long term rainfall records compiled by the U.S. Weather Service during time periods of up to 55 years in length. The theory of extreme value statistics is also utilized. The user provides 1) the longitudinal position of the satellite in geosynchronous orbit, 2) the geographical position of the earth terminal in terms of latitude and longitude, 3) the height above sea level of the terminal site, 4) the yearly average rainfall at the terminal site, and 5) the operating frequency of the communications link (within 1 to 1000 GHz, inclusive). Based on the yearly average rainfall at the terminal location, LeRC-SLAM calculates the relevant rain statistics for the site using an internal data base. The program then generates rain attenuation data for the satellite link. This data includes a description of the static (i.e., yearly) attenuation process, an evaluation of the cumulative probability distribution for attenuation effects, and an evaluation of the probability of fades below selected fade depths. In addition, LeRC-SLAM calculates the elevation and azimuth angles of the terminal

  11. LERC-SLAM - THE NASA LEWIS RESEARCH CENTER SATELLITE LINK ATTENUATION MODEL PROGRAM (MACINTOSH VERSION)

    Science.gov (United States)

    Manning, R. M.

    1994-01-01

    The frequency and intensity of rain attenuation affecting the communication between a satellite and an earth terminal is an important consideration in planning satellite links. The NASA Lewis Research Center Satellite Link Attenuation Model Program (LeRC-SLAM) provides a static and dynamic statistical assessment of the impact of rain attenuation on a communications link established between an earth terminal and a geosynchronous satellite. The program is designed for use in the specification, design and assessment of satellite links for any terminal location in the continental United States. The basis for LeRC-SLAM is the ACTS Rain Attenuation Prediction Model, which uses a log-normal cumulative probability distribution to describe the random process of rain attenuation on satellite links. The derivation of the statistics for the rainrate process at the specified terminal location relies on long term rainfall records compiled by the U.S. Weather Service during time periods of up to 55 years in length. The theory of extreme value statistics is also utilized. The user provides 1) the longitudinal position of the satellite in geosynchronous orbit, 2) the geographical position of the earth terminal in terms of latitude and longitude, 3) the height above sea level of the terminal site, 4) the yearly average rainfall at the terminal site, and 5) the operating frequency of the communications link (within 1 to 1000 GHz, inclusive). Based on the yearly average rainfall at the terminal location, LeRC-SLAM calculates the relevant rain statistics for the site using an internal data base. The program then generates rain attenuation data for the satellite link. This data includes a description of the static (i.e., yearly) attenuation process, an evaluation of the cumulative probability distribution for attenuation effects, and an evaluation of the probability of fades below selected fade depths. In addition, LeRC-SLAM calculates the elevation and azimuth angles of the terminal

  12. Integrated Medical Model (IMM) Optimization Version 4.0 Functional Improvements

    Science.gov (United States)

    Arellano, John; Young, M.; Boley, L.; Garcia, Y.; Saile, L.; Walton, M.; Kerstman, E.; Reyes, D.; Goodenow, D. A.; Myers, J. G.

    2016-01-01

    The IMMs ability to assess mission outcome risk levels relative to available resources provides a unique capability to provide guidance on optimal operational medical kit and vehicle resources. Post-processing optimization allows IMM to optimize essential resources to improve a specific model outcome such as maximization of the Crew Health Index (CHI), or minimization of the probability of evacuation (EVAC) or the loss of crew life (LOCL). Mass and or volume constrain the optimized resource set. The IMMs probabilistic simulation uses input data on one hundred medical conditions to simulate medical events that may occur in spaceflight, the resources required to treat those events, and the resulting impact to the mission based on specific crew and mission characteristics. Because IMM version 4.0 provides for partial treatment for medical events, IMM Optimization 4.0 scores resources at the individual resource unit increment level as opposed to the full condition-specific treatment set level, as done in version 3.0. This allows the inclusion of as many resources as possible in the event that an entire set of resources called out for treatment cannot satisfy the constraints. IMM Optimization version 4.0 adds capabilities that increase efficiency by creating multiple resource sets based on differing constraints and priorities, CHI, EVAC, or LOCL. It also provides sets of resources that improve mission-related IMM v4.0 outputs with improved performance compared to the prior optimization. The new optimization represents much improved fidelity that will improve the utility of the IMM 4.0 for decision support.

  13. Validity study of the Beck Anxiety Inventory (Portuguese version by the Rasch Rating Scale model

    Directory of Open Access Journals (Sweden)

    Sónia Quintão

    2013-01-01

    Full Text Available Our objective was to conduct a validation study of the Portuguese version of the Beck Anxiety Inventory (BAI by means of the Rasch Rating Scale Model, and then compare it with the most used scales of anxiety in Portugal. The sample consisted of 1,160 adults (427 men and 733 women, aged 18-82 years old (M=33.39; SD=11.85. Instruments were Beck Anxiety Inventory, State-Trait Anxiety Inventory and Zung Self-Rating Anxiety Scale. It was found that Beck Anxiety Inventory's system of four categories, the data-model fit, and people reliability were adequate. The measure can be considered as unidimensional. Gender and age-related differences were not a threat to the validity. BAI correlated significantly with other anxiety measures. In conclusion, BAI shows good psychometric quality.

  14. New Source Term Model for the RESRAD-OFFSITE Code Version 3

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Charley [Argonne National Lab. (ANL), Argonne, IL (United States); Gnanapragasam, Emmanuel [Argonne National Lab. (ANL), Argonne, IL (United States); Cheng, Jing-Jy [Argonne National Lab. (ANL), Argonne, IL (United States); Kamboj, Sunita [Argonne National Lab. (ANL), Argonne, IL (United States); Chen, Shih-Yew [Argonne National Lab. (ANL), Argonne, IL (United States)

    2013-06-01

    This report documents the new source term model developed and implemented in Version 3 of the RESRAD-OFFSITE code. This new source term model includes: (1) "first order release with transport" option, in which the release of the radionuclide is proportional to the inventory in the primary contamination and the user-specified leach rate is the proportionality constant, (2) "equilibrium desorption release" option, in which the user specifies the distribution coefficient which quantifies the partitioning of the radionuclide between the solid and aqueous phases, and (3) "uniform release" option, in which the radionuclides are released from a constant fraction of the initially contaminated material during each time interval and the user specifies the duration over which the radionuclides are released.

  15. The SGHWR version of the Monte Carlo code W-MONTE. Part 1. The theoretical model

    International Nuclear Information System (INIS)

    Allen, F.R.

    1976-03-01

    W-MONTE provides a multi-group model of neutron transport in the exact geometry of a reactor lattice using Monte Carlo methods. It is currently restricted to uniform axial properties. Material data is normally obtained from a preliminary WIMS lattice calculation in the transport group structure. The SGHWR version has been required for analysis of zero energy experiments and special aspects of power reactor lattices, such as the unmoderated lattice region above the moderator when drained to dump height. Neutron transport is modelled for a uniform infinite lattice, simultaneously treating the cases of no leakage, radial leakage or axial leakage only, and the combined effects of radial and axial leakage. Multigroup neutron balance edits are incorporated for the separate effects of radial and axial leakage to facilitate the analysis of leakage and to provide effective diffusion theory parameters for core representation in reactor cores. (author)

  16. Modeling Degradation in Solid Oxide Electrolysis Cells

    Energy Technology Data Exchange (ETDEWEB)

    Manohar S. Sohal; Anil V. Virkar; Sergey N. Rashkeev; Michael V. Glazoff

    2010-09-01

    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 no 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, no 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.

  17. Comparison of three ice cloud optical schemes in climate simulations with community atmospheric model version 5

    Science.gov (United States)

    Zhao, Wenjie; Peng, Yiran; Wang, Bin; Yi, Bingqi; Lin, Yanluan; Li, Jiangnan

    2018-05-01

    A newly implemented Baum-Yang scheme for simulating ice cloud optical properties is compared with existing schemes (Mitchell and Fu schemes) in a standalone radiative transfer model and in the global climate model (GCM) Community Atmospheric Model Version 5 (CAM5). This study systematically analyzes the effect of different ice cloud optical schemes on global radiation and climate by a series of simulations with a simplified standalone radiative transfer model, atmospheric GCM CAM5, and a comprehensive coupled climate model. Results from the standalone radiative model show that Baum-Yang scheme yields generally weaker effects of ice cloud on temperature profiles both in shortwave and longwave spectrum. CAM5 simulations indicate that Baum-Yang scheme in place of Mitchell/Fu scheme tends to cool the upper atmosphere and strengthen the thermodynamic instability in low- and mid-latitudes, which could intensify the Hadley circulation and dehydrate the subtropics. When CAM5 is coupled with a slab ocean model to include simplified air-sea interaction, reduced downward longwave flux to surface in Baum-Yang scheme mitigates ice-albedo feedback in the Arctic as well as water vapor and cloud feedbacks in low- and mid-latitudes, resulting in an overall temperature decrease by 3.0/1.4 °C globally compared with Mitchell/Fu schemes. Radiative effect and climate feedback of the three ice cloud optical schemes documented in this study can be referred for future improvements on ice cloud simulation in CAM5.

  18. Immersion freezing by natural dust based on a soccer ball model with the Community Atmospheric Model version 5: climate effects

    Science.gov (United States)

    Wang, Yong; Liu, Xiaohong

    2014-12-01

    We introduce a simplified version of the soccer ball model (SBM) developed by Niedermeier et al (2014 Geophys. Res. Lett. 41 736-741) into the Community Atmospheric Model version 5 (CAM5). It is the first time that SBM is used in an atmospheric model to parameterize the heterogeneous ice nucleation. The SBM, which was simplified for its suitable application in atmospheric models, uses the classical nucleation theory to describe the immersion/condensation freezing by dust in the mixed-phase cloud regime. Uncertain parameters (mean contact angle, standard deviation of contact angle probability distribution, and number of surface sites) in the SBM are constrained by fitting them to recent natural dust (Saharan dust) datasets. With the SBM in CAM5, we investigate the sensitivity of modeled cloud properties to the SBM parameters, and find significant seasonal and regional differences in the sensitivity among the three SBM parameters. Changes of mean contact angle and the number of surface sites lead to changes of cloud properties in Arctic in spring, which could be attributed to the transport of dust ice nuclei to this region. In winter, significant changes of cloud properties induced by these two parameters mainly occur in northern hemispheric mid-latitudes (e.g., East Asia). In comparison, no obvious changes of cloud properties caused by changes of standard deviation can be found in all the seasons. These results are valuable for understanding the heterogeneous ice nucleation behavior, and useful for guiding the future model developments.

  19. Immersion freezing by natural dust based on a soccer ball model with the Community Atmospheric Model version 5: climate effects

    International Nuclear Information System (INIS)

    Wang, Yong; Liu, Xiaohong

    2014-01-01

    We introduce a simplified version of the soccer ball model (SBM) developed by Niedermeier et al (2014 Geophys. Res. Lett. 41 736–741) into the Community Atmospheric Model version 5 (CAM5). It is the first time that SBM is used in an atmospheric model to parameterize the heterogeneous ice nucleation. The SBM, which was simplified for its suitable application in atmospheric models, uses the classical nucleation theory to describe the immersion/condensation freezing by dust in the mixed-phase cloud regime. Uncertain parameters (mean contact angle, standard deviation of contact angle probability distribution, and number of surface sites) in the SBM are constrained by fitting them to recent natural dust (Saharan dust) datasets. With the SBM in CAM5, we investigate the sensitivity of modeled cloud properties to the SBM parameters, and find significant seasonal and regional differences in the sensitivity among the three SBM parameters. Changes of mean contact angle and the number of surface sites lead to changes of cloud properties in Arctic in spring, which could be attributed to the transport of dust ice nuclei to this region. In winter, significant changes of cloud properties induced by these two parameters mainly occur in northern hemispheric mid-latitudes (e.g., East Asia). In comparison, no obvious changes of cloud properties caused by changes of standard deviation can be found in all the seasons. These results are valuable for understanding the heterogeneous ice nucleation behavior, and useful for guiding the future model developments. (letter)

  20. Incorporating remote sensing-based ET estimates into the Community Land Model version 4.5

    Directory of Open Access Journals (Sweden)

    D. Wang

    2017-07-01

    Full Text Available Land surface models bear substantial biases in simulating surface water and energy budgets despite the continuous development and improvement of model parameterizations. To reduce model biases, Parr et al. (2015 proposed a method incorporating satellite-based evapotranspiration (ET products into land surface models. Here we apply this bias correction method to the Community Land Model version 4.5 (CLM4.5 and test its performance over the conterminous US (CONUS. We first calibrate a relationship between the observational ET from the Global Land Evaporation Amsterdam Model (GLEAM product and the model ET from CLM4.5, and assume that this relationship holds beyond the calibration period. During the validation or application period, a simulation using the default CLM4.5 (CLM is conducted first, and its output is combined with the calibrated observational-vs.-model ET relationship to derive a corrected ET; an experiment (CLMET is then conducted in which the model-generated ET is overwritten with the corrected ET. Using the observations of ET, runoff, and soil moisture content as benchmarks, we demonstrate that CLMET greatly improves the hydrological simulations over most of the CONUS, and the improvement is stronger in the eastern CONUS than the western CONUS and is strongest over the Southeast CONUS. For any specific region, the degree of the improvement depends on whether the relationship between observational and model ET remains time-invariant (a fundamental hypothesis of the Parr et al. (2015 method and whether water is the limiting factor in places where ET is underestimated. While the bias correction method improves hydrological estimates without improving the physical parameterization of land surface models, results from this study do provide guidance for physically based model development effort.

  1. Model alloy oxidation in oxyfuel characteristic environment

    International Nuclear Information System (INIS)

    Coelho, D.; Rizzo, F.; Kranzmann, A.; Monteiro, M.; Caminha, I.

    2014-01-01

    In the oxyfuel process, pure oxygen is burned in boilers with recycled gas producing a gas rich in CO_2, making it easer to capture the CO_2 in the end of the process. The present work investigates the high temperature corrosion characteristics of a model Fe-Cr-Co alloy in typical oxyfuel process environment. Samples were oxidized at 600°C during 1000 hours in single atmosphere condition, where the samples is exposed to the same gas in all faces, and in a dual atmosphere condition, where the sample is exposed to water vapor in one side and to oxyfuel gas in the other. Samples where characterized by SEM and EDX. Results showed that corrosion is higher in a dual atmosphere condition than in single condition. (author)

  2. VALIDATION OF THE ASTER GLOBAL DIGITAL ELEVATION MODEL VERSION 3 OVER THE CONTERMINOUS UNITED STATES

    Directory of Open Access Journals (Sweden)

    D. Gesch

    2016-06-01

    Full Text Available The ASTER Global Digital Elevation Model Version 3 (GDEM v3 was evaluated over the conterminous United States in a manner similar to the validation conducted for the original GDEM Version 1 (v1 in 2009 and GDEM Version 2 (v2 in 2011. The absolute vertical accuracy of GDEM v3 was calculated by comparison with more than 23,000 independent reference geodetic ground control points from the U.S. National Geodetic Survey. The root mean square error (RMSE measured for GDEM v3 is 8.52 meters. This compares with the RMSE of 8.68 meters for GDEM v2. Another important descriptor of vertical accuracy is the mean error, or bias, which indicates if a DEM has an overall vertical offset from true ground level. The GDEM v3 mean error of −1.20 meters reflects an overall negative bias in GDEM v3. The absolute vertical accuracy assessment results, both mean error and RMSE, were segmented by land cover type to provide insight into how GDEM v3 performs in various land surface conditions. While the RMSE varies little across cover types (6.92 to 9.25 meters, the mean error (bias does appear to be affected by land cover type, ranging from −2.99 to +4.16 meters across 14 land cover classes. These results indicate that in areas where built or natural aboveground features are present, GDEM v3 is measuring elevations above the ground level, a condition noted in assessments of previous GDEM versions (v1 and v2 and an expected condition given the type of stereo-optical image data collected by ASTER. GDEM v3 was also evaluated by differencing with the Shuttle Radar Topography Mission (SRTM dataset. In many forested areas, GDEM v3 has elevations that are higher in the canopy than SRTM. The overall validation effort also included an evaluation of the GDEM v3 water mask. In general, the number of distinct water polygons in GDEM v3 is much lower than the number in a reference land cover dataset, but the total areas compare much more closely.

  3. Validation of the ASTER Global Digital Elevation Model version 3 over the conterminous United States

    Science.gov (United States)

    Gesch, Dean B.; Oimoen, Michael J.; Danielson, Jeffrey J.; Meyer, David; Halounova, L; Šafář, V.; Jiang, J.; Olešovská, H.; Dvořáček, P.; Holland, D.; Seredovich, V.A.; Muller, J.P.; Pattabhi Rama Rao, E.; Veenendaal, B.; Mu, L.; Zlatanova, S.; Oberst, J.; Yang, C.P.; Ban, Y.; Stylianidis, S.; Voženílek, V.; Vondráková, A.; Gartner, G.; Remondino, F.; Doytsher, Y.; Percivall, George; Schreier, G.; Dowman, I.; Streilein, A.; Ernst, J.

    2016-01-01

    The ASTER Global Digital Elevation Model Version 3 (GDEM v3) was evaluated over the conterminous United States in a manner similar to the validation conducted for the original GDEM Version 1 (v1) in 2009 and GDEM Version 2 (v2) in 2011. The absolute vertical accuracy of GDEM v3 was calculated by comparison with more than 23,000 independent reference geodetic ground control points from the U.S. National Geodetic Survey. The root mean square error (RMSE) measured for GDEM v3 is 8.52 meters. This compares with the RMSE of 8.68 meters for GDEM v2. Another important descriptor of vertical accuracy is the mean error, or bias, which indicates if a DEM has an overall vertical offset from true ground level. The GDEM v3 mean error of −1.20 meters reflects an overall negative bias in GDEM v3. The absolute vertical accuracy assessment results, both mean error and RMSE, were segmented by land cover type to provide insight into how GDEM v3 performs in various land surface conditions. While the RMSE varies little across cover types (6.92 to 9.25 meters), the mean error (bias) does appear to be affected by land cover type, ranging from −2.99 to +4.16 meters across 14 land cover classes. These results indicate that in areas where built or natural aboveground features are present, GDEM v3 is measuring elevations above the ground level, a condition noted in assessments of previous GDEM versions (v1 and v2) and an expected condition given the type of stereo-optical image data collected by ASTER. GDEM v3 was also evaluated by differencing with the Shuttle Radar Topography Mission (SRTM) dataset. In many forested areas, GDEM v3 has elevations that are higher in the canopy than SRTM. The overall validation effort also included an evaluation of the GDEM v3 water mask. In general, the number of distinct water polygons in GDEM v3 is much lower than the number in a reference land cover dataset, but the total areas compare much more closely.

  4. 78 FR 32224 - Availability of Version 3.1.2 of the Connect America Fund Phase II Cost Model; Additional...

    Science.gov (United States)

    2013-05-29

    ... Version 3.1.2 of the Connect America Fund Phase II Cost Model; Additional Discussion Topics in Connect America Cost Model Virtual Workshop AGENCY: Federal Communications Commission. ACTION: Proposed rule... America Cost Model (CAM v3.1.2), which allows Commission staff and interested parties to calculate costs...

  5. Modelling nitrous oxide emissions from grazed grassland systems

    International Nuclear Information System (INIS)

    Wang Junye; Cardenas, Laura M.; Misselbrook, Tom H.; Cuttle, Steve; Thorman, Rachel E.; Li Changsheng

    2012-01-01

    Grazed grassland systems are an important component of the global carbon cycle and also influence global climate change through their emissions of nitrous oxide and methane. However, there are huge uncertainties and challenges in the development and parameterisation of process-based models for grazed grassland systems because of the wide diversity of vegetation and impacts of grazing animals. A process-based biogeochemistry model, DeNitrification-DeComposition (DNDC), has been modified to describe N 2 O emissions for the UK from regional conditions. This paper reports a new development of UK-DNDC in which the animal grazing practices were modified to track their contributions to the soil nitrogen (N) biogeochemistry. The new version of UK-DNDC was tested against datasets of N 2 O fluxes measured at three contrasting field sites. The results showed that the responses of the model to changes in grazing parameters were generally in agreement with observations, showing that N 2 O emissions increased as the grazing intensity increased. - Highlights: ► Parameterisation of grazing system using grazing intensity. ► Modification of UK D NDC for the UK soil and weather conditions. ► Validation of the UK D NDC against measured data of N 2 O emissions in three UK sites. ► Estimating influence of animal grazing practises on N 2 O emissions. - Grazing system was parameterised using grazing intensity and UK-DNDC model was modified and validated against measured data of N 2 O emissions in three UK sites.

  6. Version 2.0 of the European Gas Model. Changes and their impact on the German gas sector

    International Nuclear Information System (INIS)

    Balmert, David; Petrov, Konstantin

    2015-01-01

    In January 2015 ACER, the European Agency for the Cooperation of Energy Regulators, presented an updated version of its target model for the inner-European natural gas market, also referred to as version 2.0 of the Gas Target Model. During 2014 the existing model, originally developed by the Council of European Energy Regulators (CEER) and launched in 2011, had been analysed, revised and updated in preparation of the new version. While it has few surprises to offer, the new Gas Target Model contains specifies and goes into greater detail on many elements of the original model. Some of the new content is highly relevant to the German gas sector, not least the deliberations on the current key issues, which are security of supply and the ability of the gas markets to function.

  7. Probabilistic Model for Integrated Assessment of the Behavior at the T.D.P. Version 2

    International Nuclear Information System (INIS)

    Hurtado, A.; Eguilior, S.; Recreo, F

    2015-01-01

    This report documents the completion of the first phase of the implementation of the methodology ABACO2G (Bayes Application to Geological Storage of CO2) and the final version of the ABACO2G probabilistic model for the injection phase before its future validation in the experimental field of the Technology Development Plant in Hontom (Burgos). The model, which is based on the determination of the probabilistic risk component of a geological storage of CO2 using the formalism of Bayesian networks and Monte Carlo probability yields quantitative probability functions of the total system CO2 storage and of each one of their subsystems (storage subsystem and the primary seal; secondary containment subsystem and dispersion subsystem or tertiary one); the implementation of the stochastic time evolution of the CO2 plume during the injection period, the stochastic time evolution of the drying front, the probabilistic evolution of the pressure front, decoupled from the CO2 plume progress front, and the implementation of submodels and leakage probability functions through major leakage risk elements (fractures / faults and wells / deep boreholes) which together define the space of events to estimate the risks associated with the CO2 geological storage system. The activities included in this report have been to replace the previous qualitative estimation submodels of former ABACO2G version developed during Phase I of the project ALM-10-017, by analytical, semi-analytical or numerical submodels for the main elements of risk (wells and fractures), to obtain an integrated probabilistic model of a CO2 storage complex in carbonate formations that meets the needs of the integrated behavior evaluation of the Technology Development Plant in Hontomín

  8. Hydrogeochemical evaluation for Simpevarp model version 1.2. Preliminary site description of the Simpevarp area

    International Nuclear Information System (INIS)

    Laaksoharju, Marcus

    2004-12-01

    Siting studies for SKB's programme of deep geological disposal of nuclear fuel waste currently involves the investigation of two locations, Simpevarp and Forsmark, to determine their geological, hydrogeochemical and hydrogeological characteristics. Present work completed has resulted in Model version 1.2 which represents the second evaluation of the available Simpevarp groundwater analytical data collected up to April, 2004. The deepest fracture groundwater samples with sufficient analytical data reflected depths down to 1.7 km. Model version 1.2 focusses on geochemical and mixing processes affecting the groundwater composition in the uppermost part of the bedrock, down to repository levels, and eventually extending to 1000 m depth. The groundwater flow regimes at Laxemar/Simpevarp are considered local and extend down to depths of around 600-1000 m depending on local topography. The marked differences in the groundwater flow regimes between Laxemar and Simpevarp are reflected in the groundwater chemistry where four major hydrochemical groups of groundwaters (types A-D) have been identified: TYPE A: This type comprises dilute groundwaters ( 3 type present at shallow ( 300 m) levels at Simpevarp, and at even greater depths (approx. 1200 m) at Laxemar. At Simpevarp the groundwaters are mainly Na-Ca-Cl with increasingly enhanced Br and SO 4 with depth. At Laxemar they are mainly Ca-Na-Cl also with increasing enhancements of Br and SO 4 with depth. Main reactions involve ion exchange (Ca). At both sites a glacial component and a deep saline component are present. At Simpevarp the saline component may be potentially non marine and/or non-marine/old Littorina marine in origin; at Laxemar it is more likely to be non-marine in origin. TYPE D: This type comprises reducing highly saline groundwaters (> 20 000 mg/L Cl; to a maximum of ∼70 g/L TDS) and only has been identified at Laxemar at depths exceeding 1200 m. It is mainly Ca-Na-Cl with higher Br but lower SO 4 compared

  9. Evaluation of a new CNRM-CM6 model version for seasonal climate predictions

    Science.gov (United States)

    Volpi, Danila; Ardilouze, Constantin; Batté, Lauriane; Dorel, Laurant; Guérémy, Jean-François; Déqué, Michel

    2017-04-01

    This work presents the quality assessment of a new version of the Météo-France coupled climate prediction system, which has been developed in the EU COPERNICUS Climate Change Services framework to carry out seasonal forecast. The system is based on the CNRM-CM6 model, with Arpege-Surfex 6.2.2 as atmosphere/land component and Nemo 3.2 as ocean component, which has directly embedded the sea-ice component Gelato 6.0. In order to have a robust diagnostic, the experiment is composed by 60 ensemble members generated with stochastic dynamic perturbations. The experiment has been performed over a 37-year re-forecast period from 1979 to 2015, with two start dates per year, respectively in May 1st and November 1st. The evaluation of the predictive skill of the model is shown under two perspectives: on the one hand, the ability of the model to faithfully respond to positive or negative ENSO, NAO and QBO events, independently of the predictability of these events. Such assessment is carried out through a composite analysis, and shows that the model succeeds in reproducing the main patterns for 2-meter temperature, precipitation and geopotential height at 500 hPa during the winter season. On the other hand, the model predictive skill of the same events (positive and negative ENSO, NAO and QBO) is evaluated.

  10. A description of the FAMOUS (version XDBUA climate model and control run

    Directory of Open Access Journals (Sweden)

    A. Osprey

    2008-12-01

    Full Text Available FAMOUS is an ocean-atmosphere general circulation model of low resolution, capable of simulating approximately 120 years of model climate per wallclock day using current high performance computing facilities. It uses most of the same code as HadCM3, a widely used climate model of higher resolution and computational cost, and has been tuned to reproduce the same climate reasonably well. FAMOUS is useful for climate simulations where the computational cost makes the application of HadCM3 unfeasible, either because of the length of simulation or the size of the ensemble desired. We document a number of scientific and technical improvements to the original version of FAMOUS. These improvements include changes to the parameterisations of ozone and sea-ice which alleviate a significant cold bias from high northern latitudes and the upper troposphere, and the elimination of volume-averaged drifts in ocean tracers. A simple model of the marine carbon cycle has also been included. A particular goal of FAMOUS is to conduct millennial-scale paleoclimate simulations of Quaternary ice ages; to this end, a number of useful changes to the model infrastructure have been made.

  11. Thermal modelling. Preliminary site description Simpevarp subarea - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta [Geo Innova AB, Linkoeping (Sweden)

    2005-08-15

    This report presents the thermal site descriptive model for the Simpevarp subarea, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at possible canister scale has been modelled for four different lithological domains (RSMA01 (Aevroe granite), RSMB01 (Fine-grained dioritoid), RSMC01 (mixture of Aevroe granite and Quartz monzodiorite), and RSMD01 (Quartz monzodiorite)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Three alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Simpevarp subarea, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. For one rock type, the Aevroe granite (501044), density loggings within the specific rock type has also been used in the domain modelling in order to consider the spatial variability within the Aevroe granite. This has been possible due to the presented relationship between density and thermal conductivity, valid for the Aevroe granite. Results indicate that the mean of thermal conductivity is expected to exhibit only a small variation between the different domains, from 2.62 W/(m.K) to 2.80 W/(m.K). The standard deviation varies according to the scale considered and for the canister scale it is expected to range from 0.20 to 0.28 W/(m.K). Consequently, the lower confidence limit (95% confidence) for the canister scale is within the range 2.04-2.35 W/(m.K) for the different domains. The temperature dependence is rather small with a decrease in thermal conductivity of 1.1-3.4% per 100 deg C increase in temperature for the dominating rock

  12. Thermal modelling. Preliminary site description Simpevarp subarea - version 1.2

    International Nuclear Information System (INIS)

    Sundberg, Jan; Back, Paer-Erik; Bengtsson, Anna; Laendell, Maerta

    2005-08-01

    This report presents the thermal site descriptive model for the Simpevarp subarea, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at possible canister scale has been modelled for four different lithological domains (RSMA01 (Aevroe granite), RSMB01 (Fine-grained dioritoid), RSMC01 (mixture of Aevroe granite and Quartz monzodiorite), and RSMD01 (Quartz monzodiorite)). A main modelling approach has been used to determine the mean value of the thermal conductivity. Three alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological model for the Simpevarp subarea, version 1.2 together with rock type models constituted from measured and calculated (from mineral composition) thermal conductivities. For one rock type, the Aevroe granite (501044), density loggings within the specific rock type has also been used in the domain modelling in order to consider the spatial variability within the Aevroe granite. This has been possible due to the presented relationship between density and thermal conductivity, valid for the Aevroe granite. Results indicate that the mean of thermal conductivity is expected to exhibit only a small variation between the different domains, from 2.62 W/(m.K) to 2.80 W/(m.K). The standard deviation varies according to the scale considered and for the canister scale it is expected to range from 0.20 to 0.28 W/(m.K). Consequently, the lower confidence limit (95% confidence) for the canister scale is within the range 2.04-2.35 W/(m.K) for the different domains. The temperature dependence is rather small with a decrease in thermal conductivity of 1.1-3.4% per 100 deg C increase in temperature for the dominating rock

  13. Thermal modelling. Preliminary site description Laxemar subarea - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Sundberg, Jan; Wrafter, John; Back, Paer-Erik; Laendell, Maerta [Geo Innova AB, Linkoeping (Sweden)

    2006-02-15

    This report presents the thermal site descriptive model for the Laxemar subarea, version 1.2. The main objective of this report is to present the thermal modelling work where data has been identified, quality controlled, evaluated and summarised in order to make an upscaling to lithological domain level possible. The thermal conductivity at canister scale has been modelled for five different lithological domains: RSMA (Aevroe granite), RSMBA (mixture of Aevroe granite and fine-grained dioritoid), RSMD (quartz monzodiorite), RSME (diorite/gabbro) and RSMM (mix domain with high frequency of diorite to gabbro). A base modelling approach has been used to determine the mean value of the thermal conductivity. Four alternative/complementary approaches have been used to evaluate the spatial variability of the thermal conductivity at domain level. The thermal modelling approaches are based on the lithological domain model for the Laxemar subarea, version 1.2 together with rock type models based on measured and calculated (from mineral composition) thermal conductivities. For one rock type, Aevroe granite (501044), density loggings have also been used in the domain modelling in order to evaluate the spatial variability within the Aevroe granite. This has been possible due to an established relationship between density and thermal conductivity, valid for the Aevroe granite. Results indicate that the means of thermal conductivity for the various domains are expected to exhibit a variation from 2.45 W/(m.K) to 2.87 W/(m.K). The standard deviation varies according to the scale considered, and for the 0.8 m scale it is expected to range from 0.17 to 0.29 W/(m.K). Estimates of lower tail percentiles for the same scale are presented for all five domains. The temperature dependence is rather small with a decrease in thermal conductivity of 1.1-5.3% per 100 deg C increase in temperature for the dominant rock types. There are a number of important uncertainties associated with these

  14. Solid waste projection model: Database user's guide (Version 1.0)

    International Nuclear Information System (INIS)

    Carr, F.; Stiles, D.

    1991-01-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC) specifically to address Hanford solid waste management issues. This document is one of a set of documents supporting the SWPM system and providing instructions in the use and maintenance of SWPM components. This manual contains instructions for preparing to use Version 1 of the SWPM database, for entering and maintaining data, and for performing routine database functions. This document supports only those operations which are specific to SWPM database menus and functions, and does not provide instructions in the use of Paradox, the database management system in which the SWPM database is established. 3 figs., 1 tab

  15. Solid Waste Projection Model: Database user's guide (Version 1.3)

    International Nuclear Information System (INIS)

    Blackburn, C.L.

    1991-11-01

    The Solid Waste Projection Model (SWPM) system is an analytical tool developed by Pacific Northwest Laboratory (PNL) for Westinghouse Hanford Company (WHC) specifically to address Hanford solid waste management issues. This document is one of a set of documents supporting the SWPM system and providing instructions in the use and maintenance of SWPM components. This manual contains instructions for preparing to use Version 1.3 of the SWPM database, for entering and maintaining data, and for performing routine database functions. This document supports only those operations which are specific to SWPM database menus and functions and does not provide instruction in the use of Paradox, the database management system in which the SWPM database is established

  16. HAM Construction modeling using COMSOL with MatLab Modeling Guide version 1.0.

    NARCIS (Netherlands)

    Schijndel, van A.W.M.

    2006-01-01

    This paper presents a first modeling guide for the modeling and simulation of up to full 3D dynamic Heat, Air & Moisture (HAM) transport of building constructions using COMSOL with Matlab. The modeling scripts are provided at the appendix. Furthermore, all modeling files and results are published at

  17. HAM Construction modeling using COMSOL with MatLab Modeling Guide, version 1.0

    NARCIS (Netherlands)

    Schijndel, van A.W.M.

    2006-01-01

    This paper presents a first modeling guide for the modeling and simulation of up to full 3D dynamic Heat, Air & Moisture (HAM) transport of building constructions using COMSOL with Matlab. The modeling scripts are provided at the appendix. Furthermore, all modeling files and results are published at

  18. Systems Biology Markup Language (SBML Level 2 Version 5: Structures and Facilities for Model Definitions

    Directory of Open Access Journals (Sweden)

    Hucka Michael

    2015-06-01

    Full Text Available Computational models can help researchers to interpret data, understand biological function, and make quantitative predictions. The Systems Biology Markup Language (SBML is a file format for representing computational models in a declarative form that can be exchanged between different software systems. SBML is oriented towards describing biological processes of the sort common in research on a number of topics, including metabolic pathways, cell signaling pathways, and many others. By supporting SBML as an input/output format, different tools can all operate on an identical representation of a model, removing opportunities for translation errors and assuring a common starting point for analyses and simulations. This document provides the specification for Version 5 of SBML Level 2. The specification defines the data structures prescribed by SBML as well as their encoding in XML, the eXtensible Markup Language. This specification also defines validation rules that determine the validity of an SBML document, and provides many examples of models in SBML form. Other materials and software are available from the SBML project web site, http://sbml.org/.

  19. Systems Biology Markup Language (SBML) Level 2 Version 5: Structures and Facilities for Model Definitions.

    Science.gov (United States)

    Hucka, Michael; Bergmann, Frank T; Dräger, Andreas; Hoops, Stefan; Keating, Sarah M; Le Novère, Nicolas; Myers, Chris J; Olivier, Brett G; Sahle, Sven; Schaff, James C; Smith, Lucian P; Waltemath, Dagmar; Wilkinson, Darren J

    2015-09-04

    Computational models can help researchers to interpret data, understand biological function, and make quantitative predictions. The Systems Biology Markup Language (SBML) is a file format for representing computational models in a declarative form that can be exchanged between different software systems. SBML is oriented towards describing biological processes of the sort common in research on a number of topics, including metabolic pathways, cell signaling pathways, and many others. By supporting SBML as an input/output format, different tools can all operate on an identical representation of a model, removing opportunities for translation errors and assuring a common starting point for analyses and simulations. This document provides the specification for Version 5 of SBML Level 2. The specification defines the data structures prescribed by SBML as well as their encoding in XML, the eXtensible Markup Language. This specification also defines validation rules that determine the validity of an SBML document, and provides many examples of models in SBML form. Other materials and software are available from the SBML project web site, http://sbml.org.

  20. Overview of the Meso-NH model version 5.4 and its applications

    Directory of Open Access Journals (Sweden)

    C. Lac

    2018-05-01

    Full Text Available This paper presents the Meso-NH model version 5.4. Meso-NH is an atmospheric non hydrostatic research model that is applied to a broad range of resolutions, from synoptic to turbulent scales, and is designed for studies of physics and chemistry. It is a limited-area model employing advanced numerical techniques, including monotonic advection schemes for scalar transport and fourth-order centered or odd-order WENO advection schemes for momentum. The model includes state-of-the-art physics parameterization schemes that are important to represent convective-scale phenomena and turbulent eddies, as well as flows at larger scales. In addition, Meso-NH has been expanded to provide capabilities for a range of Earth system prediction applications such as chemistry and aerosols, electricity and lightning, hydrology, wildland fires, volcanic eruptions, and cyclones with ocean coupling. Here, we present the main innovations to the dynamics and physics of the code since the pioneer paper of Lafore et al. (1998 and provide an overview of recent applications and couplings.

  1. Conceptual Model of an Application for Automated Generation of Webpage Mobile Versions

    Directory of Open Access Journals (Sweden)

    Todor Rachovski

    2017-11-01

    Full Text Available Accessing webpages through various types of mobile devices with different screen sizes and using different browsers has put new demands on web developers. The main challenge is the development of websites with responsive design that is adaptable depending on the mobile device used. The article presents a conceptual model of an app for automated generation of mobile pages. It has five-layer architecture: database, database management layer, business logic layer, web services layer and a presentation layer. The database stores all the data needed to run the application. The database management layer uses an ORM model to convert relational data into an object-oriented format and control the access to them. The business logic layer contains components that perform the actual work on building a mobile version of the page, including parsing, building a hierarchical model of the page and a number of transformations. The web services layer provides external applications with access to lower-level functionalities, and the presentation layer is responsible for choosing and using the appropriate CSS. A web application that uses the proposed model was developed and experiments were conducted.

  2. Accelerator System Model (ASM) user manual with physics and engineering model documentation. ASM version 1.0

    International Nuclear Information System (INIS)

    1993-07-01

    The Accelerator System Model (ASM) is a computer program developed to model proton radiofrequency accelerators and to carry out system level trade studies. The ASM FORTRAN subroutines are incorporated into an intuitive graphical user interface which provides for the open-quotes constructionclose quotes of the accelerator in a window on the computer screen. The interface is based on the Shell for Particle Accelerator Related Codes (SPARC) software technology written for the Macintosh operating system in the C programming language. This User Manual describes the operation and use of the ASM application within the SPARC interface. The Appendix provides a detailed description of the physics and engineering models used in ASM. ASM Version 1.0 is joint project of G. H. Gillespie Associates, Inc. and the Accelerator Technology (AT) Division of the Los Alamos National Laboratory. Neither the ASM Version 1.0 software nor this ASM Documentation may be reproduced without the expressed written consent of both the Los Alamos National Laboratory and G. H. Gillespie Associates, Inc

  3. Accelerator System Model (ASM) user manual with physics and engineering model documentation. ASM version 1.0

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1993-07-01

    The Accelerator System Model (ASM) is a computer program developed to model proton radiofrequency accelerators and to carry out system level trade studies. The ASM FORTRAN subroutines are incorporated into an intuitive graphical user interface which provides for the {open_quotes}construction{close_quotes} of the accelerator in a window on the computer screen. The interface is based on the Shell for Particle Accelerator Related Codes (SPARC) software technology written for the Macintosh operating system in the C programming language. This User Manual describes the operation and use of the ASM application within the SPARC interface. The Appendix provides a detailed description of the physics and engineering models used in ASM. ASM Version 1.0 is joint project of G. H. Gillespie Associates, Inc. and the Accelerator Technology (AT) Division of the Los Alamos National Laboratory. Neither the ASM Version 1.0 software nor this ASM Documentation may be reproduced without the expressed written consent of both the Los Alamos National Laboratory and G. H. Gillespie Associates, Inc.

  4. Simulated pre-industrial climate in Bergen Climate Model (version 2: model description and large-scale circulation features

    Directory of Open Access Journals (Sweden)

    O. H. Otterå

    2009-11-01

    Full Text Available The Bergen Climate Model (BCM is a fully-coupled atmosphere-ocean-sea-ice model that provides state-of-the-art computer simulations of the Earth's past, present, and future climate. Here, a pre-industrial multi-century simulation with an updated version of BCM is described and compared to observational data. The model is run without any form of flux adjustments and is stable for several centuries. The simulated climate reproduces the general large-scale circulation in the atmosphere reasonably well, except for a positive bias in the high latitude sea level pressure distribution. Also, by introducing an updated turbulence scheme in the atmosphere model a persistent cold bias has been eliminated. For the ocean part, the model drifts in sea surface temperatures and salinities are considerably reduced compared to earlier versions of BCM. Improved conservation properties in the ocean model have contributed to this. Furthermore, by choosing a reference pressure at 2000 m and including thermobaric effects in the ocean model, a more realistic meridional overturning circulation is simulated in the Atlantic Ocean. The simulated sea-ice extent in the Northern Hemisphere is in general agreement with observational data except for summer where the extent is somewhat underestimated. In the Southern Hemisphere, large negative biases are found in the simulated sea-ice extent. This is partly related to problems with the mixed layer parametrization, causing the mixed layer in the Southern Ocean to be too deep, which in turn makes it hard to maintain a realistic sea-ice cover here. However, despite some problematic issues, the pre-industrial control simulation presented here should still be appropriate for climate change studies requiring multi-century simulations.

  5. Multiscale model of metal alloy oxidation at grain boundaries

    International Nuclear Information System (INIS)

    Sushko, Maria L.; Alexandrov, Vitaly; Schreiber, Daniel K.; Rosso, Kevin M.; Bruemmer, Stephen M.

    2015-01-01

    High temperature intergranular oxidation and corrosion of metal alloys is one of the primary causes of materials degradation in nuclear systems. In order to gain insights into grain boundary oxidation processes, a mesoscale metal alloy oxidation model is established by combining quantum Density Functional Theory (DFT) and mesoscopic Poisson-Nernst-Planck/classical DFT with predictions focused on Ni alloyed with either Cr or Al. Analysis of species and fluxes at steady-state conditions indicates that the oxidation process involves vacancy-mediated transport of Ni and the minor alloying element to the oxidation front and the formation of stable metal oxides. The simulations further demonstrate that the mechanism of oxidation for Ni-5Cr and Ni-4Al is qualitatively different. Intergranular oxidation of Ni-5Cr involves the selective oxidation of the minor element and not matrix Ni, due to slower diffusion of Ni relative to Cr in the alloy and due to the significantly smaller energy gain upon the formation of nickel oxide compared to that of Cr 2 O 3 . This essentially one-component oxidation process results in continuous oxide formation and a monotonic Cr vacancy distribution ahead of the oxidation front, peaking at alloy/oxide interface. In contrast, Ni and Al are both oxidized in Ni-4Al forming a mixed spinel NiAl 2 O 4 . Different diffusivities of Ni and Al give rise to a complex elemental distribution in the vicinity of the oxidation front. Slower diffusing Ni accumulates in the oxide and metal within 3 nm of the interface, while Al penetrates deeper into the oxide phase. Ni and Al are both depleted from the region 3–10 nm ahead of the oxidation front creating voids. The oxide microstructure is also different. Cr 2 O 3 has a plate-like structure with 1.2–1.7 nm wide pores running along the grain boundary, while NiAl 2 O 4 has 1.5 nm wide pores in the direction parallel to the grain boundary and 0.6 nm pores in the perpendicular direction providing an additional

  6. Profiling the biological activity of oxide nanomaterials with mechanistic models

    NARCIS (Netherlands)

    Burello, E.

    2013-01-01

    In this study we present three mechanistic models for profiling the potential biological and toxicological effects of oxide nanomaterials. The models attempt to describe the reactivity, protein adsorption and membrane adhesion processes of a large range of oxide materials and are based on properties

  7. VALIDATION OF THE ASTER GLOBAL DIGITAL ELEVATION MODEL VERSION 2 OVER THE CONTERMINOUS UNITED STATES

    Directory of Open Access Journals (Sweden)

    D. Gesch

    2012-07-01

    Full Text Available The ASTER Global Digital Elevation Model Version 2 (GDEM v2 was evaluated over the conterminous United States in a manner similar to the validation conducted for the original GDEM Version 1 (v1 in 2009. The absolute vertical accuracy of GDEM v2 was calculated by comparison with more than 18,000 independent reference geodetic ground control points from the National Geodetic Survey. The root mean square error (RMSE measured for GDEM v2 is 8.68 meters. This compares with the RMSE of 9.34 meters for GDEM v1. Another important descriptor of vertical accuracy is the mean error, or bias, which indicates if a DEM has an overall vertical offset from true ground level. The GDEM v2 mean error of –0.20 meters is a significant improvement over the GDEM v1 mean error of –3.69 meters. The absolute vertical accuracy assessment results, both mean error and RMSE, were segmented by land cover to examine the effects of cover types on measured errors. The GDEM v2 mean errors by land cover class verify that the presence of aboveground features (tree canopies and built structures cause a positive elevation bias, as would be expected for an imaging system like ASTER. In open ground classes (little or no vegetation with significant aboveground height, GDEM v2 exhibits a negative bias on the order of 1 meter. GDEM v2 was also evaluated by differencing with the Shuttle Radar Topography Mission (SRTM dataset. In many forested areas, GDEM v2 has elevations that are higher in the canopy than SRTM.

  8. Validation of the ASTER Global Digital Elevation Model Version 2 over the conterminous United States

    Science.gov (United States)

    Gesch, Dean B.; Oimoen, Michael J.; Zhang, Zheng; Meyer, David J.; Danielson, Jeffrey J.

    2012-01-01

    The ASTER Global Digital Elevation Model Version 2 (GDEM v2) was evaluated over the conterminous United States in a manner similar to the validation conducted for the original GDEM Version 1 (v1) in 2009. The absolute vertical accuracy of GDEM v2 was calculated by comparison with more than 18,000 independent reference geodetic ground control points from the National Geodetic Survey. The root mean square error (RMSE) measured for GDEM v2 is 8.68 meters. This compares with the RMSE of 9.34 meters for GDEM v1. Another important descriptor of vertical accuracy is the mean error, or bias, which indicates if a DEM has an overall vertical offset from true ground level. The GDEM v2 mean error of -0.20 meters is a significant improvement over the GDEM v1 mean error of -3.69 meters. The absolute vertical accuracy assessment results, both mean error and RMSE, were segmented by land cover to examine the effects of cover types on measured errors. The GDEM v2 mean errors by land cover class verify that the presence of aboveground features (tree canopies and built structures) cause a positive elevation bias, as would be expected for an imaging system like ASTER. In open ground classes (little or no vegetation with significant aboveground height), GDEM v2 exhibits a negative bias on the order of 1 meter. GDEM v2 was also evaluated by differencing with the Shuttle Radar Topography Mission (SRTM) dataset. In many forested areas, GDEM v2 has elevations that are higher in the canopy than SRTM.

  9. A generic method for automatic translation between input models for different versions of simulation codes

    International Nuclear Information System (INIS)

    Serfontein, Dawid E.; Mulder, Eben J.; Reitsma, Frederik

    2014-01-01

    A computer code was developed for the semi-automatic translation of input models for the VSOP-A diffusion neutronics simulation code to the format of the newer VSOP 99/05 code. In this paper, this algorithm is presented as a generic method for producing codes for the automatic translation of input models from the format of one code version to another, or even to that of a completely different code. Normally, such translations are done manually. However, input model files, such as for the VSOP codes, often are very large and may consist of many thousands of numeric entries that make no particular sense to the human eye. Therefore the task, of for instance nuclear regulators, to verify the accuracy of such translated files can be very difficult and cumbersome. This may cause translation errors not to be picked up, which may have disastrous consequences later on when a reactor with such a faulty design is built. Therefore a generic algorithm for producing such automatic translation codes may ease the translation and verification process to a great extent. It will also remove human error from the process, which may significantly enhance the accuracy and reliability of the process. The developed algorithm also automatically creates a verification log file which permanently record the names and values of each variable used, as well as the list of meanings of all the possible values. This should greatly facilitate reactor licensing applications

  10. A generic method for automatic translation between input models for different versions of simulation codes

    Energy Technology Data Exchange (ETDEWEB)

    Serfontein, Dawid E., E-mail: Dawid.Serfontein@nwu.ac.za [School of Mechanical and Nuclear Engineering, North West University (PUK-Campus), PRIVATE BAG X6001 (Internal Post Box 360), Potchefstroom 2520 (South Africa); Mulder, Eben J. [School of Mechanical and Nuclear Engineering, North West University (South Africa); Reitsma, Frederik [Calvera Consultants (South Africa)

    2014-05-01

    A computer code was developed for the semi-automatic translation of input models for the VSOP-A diffusion neutronics simulation code to the format of the newer VSOP 99/05 code. In this paper, this algorithm is presented as a generic method for producing codes for the automatic translation of input models from the format of one code version to another, or even to that of a completely different code. Normally, such translations are done manually. However, input model files, such as for the VSOP codes, often are very large and may consist of many thousands of numeric entries that make no particular sense to the human eye. Therefore the task, of for instance nuclear regulators, to verify the accuracy of such translated files can be very difficult and cumbersome. This may cause translation errors not to be picked up, which may have disastrous consequences later on when a reactor with such a faulty design is built. Therefore a generic algorithm for producing such automatic translation codes may ease the translation and verification process to a great extent. It will also remove human error from the process, which may significantly enhance the accuracy and reliability of the process. The developed algorithm also automatically creates a verification log file which permanently record the names and values of each variable used, as well as the list of meanings of all the possible values. This should greatly facilitate reactor licensing applications.

  11. RALOC Mod 1/81: Program description of RALOC version by the structural heat model HECU

    International Nuclear Information System (INIS)

    Pham, V.T.

    1984-01-01

    In the version RALOC-Mod 1/81 an expanded heat transfer model and structure heat model is included. This feature allows for a realistic simulation of the thermodynamic and fluiddynamic characteristics of the containment atmosphere. Steel and concrete substructures with a plain or rotational symmetry can be represented. The treat transfer calculations for the structures are problem oriented, taking into account, the time- and space dependencies. The influence of the heat transfer on the gas transport (in particular convection) in the reactor vessel is demonstrated by the numerical calculations. In contrast to the calculations without a simulation of the heat storage effects of the container structures showing a widely homogenious hydrogen distribution, the results on the basis of the HECU-model give an inhomogenious distribution during the first 8 to 12 days. However these results are only examples for the application of the RALOC-Mod 1/81 -code, which have not been intended to contribute to the discussion of hydrogen distributions in a PWR-type reactor. (orig./GL) [de

  12. Structure function of holographic quark-gluon plasma: Sakai-Sugimoto model versus its noncritical version

    International Nuclear Information System (INIS)

    Bu Yanyan; Yang Jinmin

    2011-01-01

    Motivated by recent studies of deep inelastic scattering off the N=4 super-Yang-Mills (SYM) plasma, holographically dual to an AdS 5 xS 5 black hole, we use the spacelike flavor current to probe the internal structure of one holographic quark-gluon plasma, which is described by the Sakai-Sugimoto model at high temperature phase (i.e., the chiral-symmetric phase). The plasma structure function is extracted from the retarded flavor current-current correlator. Our main aim in this paper is to explore the effect of nonconformality on these physical quantities. As usual, our study is under the supergravity approximation and the limit of large color number. Although the Sakai-Sugimoto model is nonconformal, which makes the calculations more involved than the well-studied N=4 SYM case, the result seems to indicate that the nonconformality has little essential effect on the physical picture of the internal structure of holographic plasma, which is consistent with the intuition from the asymptotic freedom of QCD at high energy. While the physical picture underlying our investigation is same as the deep inelastic scattering off the N=4 SYM plasma with(out) flavor, the plasma structure functions are quantitatively different, especially their scaling dependence on the temperature, which can be recognized as model dependent. As a comparison, we also do the same analysis for the noncritical version of the Sakai-Sugimoto model which is conformal in the sense that it has a constant dilaton vacuum. The result for this noncritical model is quite similar to the conformal N=4 SYM plasma. We therefore attribute the above difference to the effect of nonconformality of the Sakai-Sugimoto model.

  13. Carbon monoxide oxidation over three different states of copper: Development of a model metal oxide catalyst

    Energy Technology Data Exchange (ETDEWEB)

    Jernigan, Glenn Geoffrey [California Univ., Berkeley, CA (United States). Dept. of Chemistry

    1994-10-01

    Carbon monoxide oxidation was performed over the three different oxidation states of copper -- metallic (Cu), copper (I) oxide (Cu2O), and copper (II) oxide (CuO) as a test case for developing a model metal oxide catalyst amenable to study by the methods of modern surface science and catalysis. Copper was deposited and oxidized on oxidized supports of aluminum, silicon, molybdenum, tantalum, stainless steel, and iron as well as on graphite. The catalytic activity was found to decrease with increasing oxidation state (Cu > Cu2O > CuO) and the activation energy increased with increasing oxidation state (Cu, 9 kcal/mol < Cu2O, 14 kcal/mol < CuO, 17 kcal/mol). Reaction mechanisms were determined for the different oxidation states. Lastly, NO reduction by CO was studied. A Cu and CuO catalyst were exposed to an equal mixture of CO and NO at 300--350 C to observe the production of N2 and CO2. At the end of each reaction, the catalyst was found to be Cu2O. There is a need to study the kinetics of this reaction over the different oxidation states of copper.

  14. The Extrapolar SWIFT model (version 1.0): fast stratospheric ozone chemistry for global climate models

    Science.gov (United States)

    Kreyling, Daniel; Wohltmann, Ingo; Lehmann, Ralph; Rex, Markus

    2018-03-01

    The Extrapolar SWIFT model is a fast ozone chemistry scheme for interactive calculation of the extrapolar stratospheric ozone layer in coupled general circulation models (GCMs). In contrast to the widely used prescribed ozone, the SWIFT ozone layer interacts with the model dynamics and can respond to atmospheric variability or climatological trends.The Extrapolar SWIFT model employs a repro-modelling approach, in which algebraic functions are used to approximate the numerical output of a full stratospheric chemistry and transport model (ATLAS). The full model solves a coupled chemical differential equation system with 55 initial and boundary conditions (mixing ratio of various chemical species and atmospheric parameters). Hence the rate of change of ozone over 24 h is a function of 55 variables. Using covariances between these variables, we can find linear combinations in order to reduce the parameter space to the following nine basic variables: latitude, pressure altitude, temperature, overhead ozone column and the mixing ratio of ozone and of the ozone-depleting families (Cly, Bry, NOy and HOy). We will show that these nine variables are sufficient to characterize the rate of change of ozone. An automated procedure fits a polynomial function of fourth degree to the rate of change of ozone obtained from several simulations with the ATLAS model. One polynomial function is determined per month, which yields the rate of change of ozone over 24 h. A key aspect for the robustness of the Extrapolar SWIFT model is to include a wide range of stratospheric variability in the numerical output of the ATLAS model, also covering atmospheric states that will occur in a future climate (e.g. temperature and meridional circulation changes or reduction of stratospheric chlorine loading).For validation purposes, the Extrapolar SWIFT model has been integrated into the ATLAS model, replacing the full stratospheric chemistry scheme. Simulations with SWIFT in ATLAS have proven that the

  15. Ariadne version 4 - a program for simulation of QCD cascades implementing the colour dipole model

    International Nuclear Information System (INIS)

    Loennblad, L.

    1992-01-01

    The fourth version of the Ariadne program for generating QCD cascades in the colour dipole approximation is presented. The underlying physics issues are discussed and a manual for using the program is given together with a few sample programs. The major changes from previous versions are the introduction of photon radiation from quarks and inclusion of interfaces to the LEPTO and PYTHIA programs. (orig.)

  16. The global aerosol-climate model ECHAM-HAM, version 2: sensitivity to improvements in process representations

    Directory of Open Access Journals (Sweden)

    K. Zhang

    2012-10-01

    Full Text Available This paper introduces and evaluates the second version of the global aerosol-climate model ECHAM-HAM. Major changes have been brought into the model, including new parameterizations for aerosol nucleation and water uptake, an explicit treatment of secondary organic aerosols, modified emission calculations for sea salt and mineral dust, the coupling of aerosol microphysics to a two-moment stratiform cloud microphysics scheme, and alternative wet scavenging parameterizations. These revisions extend the model's capability to represent details of the aerosol lifecycle and its interaction with climate. Nudged simulations of the year 2000 are carried out to compare the aerosol properties and global distribution in HAM1 and HAM2, and to evaluate them against various observations. Sensitivity experiments are performed to help identify the impact of each individual update in model formulation.

    Results indicate that from HAM1 to HAM2 there is a marked weakening of aerosol water uptake in the lower troposphere, reducing the total aerosol water burden from 75 Tg to 51 Tg. The main reason is the newly introduced κ-Köhler-theory-based water uptake scheme uses a lower value for the maximum relative humidity cutoff. Particulate organic matter loading in HAM2 is considerably higher in the upper troposphere, because the explicit treatment of secondary organic aerosols allows highly volatile oxidation products of the precursors to be vertically transported to regions of very low temperature and to form aerosols there. Sulfate, black carbon, particulate organic matter and mineral dust in HAM2 have longer lifetimes than in HAM1 because of weaker in-cloud scavenging, which is in turn related to lower autoconversion efficiency in the newly introduced two-moment cloud microphysics scheme. Modification in the sea salt emission scheme causes a significant increase in the ratio (from 1.6 to 7.7 between accumulation mode and coarse mode emission fluxes of

  17. Energy Integration for 2050 - A Strategic Impact Model (2050 SIM), Version 1.0

    Energy Technology Data Exchange (ETDEWEB)

    2010-10-01

    The United States (U.S.) energy infrastructure is among the most reliable, accessible, and economic in the world. On the other hand, it is also excessively reliant on foreign energy sources, experiences high volatility in energy prices, does not always practice good stewardship of finite indigenous energy resources, and emits significant quantities of greenhouse gas. The U.S. Department of Energy is conducting research and development on advanced nuclear reactor concepts and technologies, including High Temperature Gas Reactor (HTGR) technologies, directed at helping the United States meet its current and future energy challenges. This report discusses the Draft Strategic Impact Model (SIM), an initial version of which was created during the later part of FY-2010. SIM was developed to analyze and depict the benefits of various energy sources in meeting the energy demand and to provide an overall system understanding of the tradeoffs between building and using HTGRs versus other existing technologies for providing energy (heat and electricity) to various energy-use sectors in the United States. This report also provides the assumptions used in the model, the rationale for the methodology, and the references for the source documentation and source data used in developing the SIM.

  18. Energy Integration for 2050 - A Strategic Impact Model (2050 SIM), Version 2.0

    Energy Technology Data Exchange (ETDEWEB)

    John Collins

    2011-09-01

    The United States (U.S.) energy infrastructure is among the most reliable, accessible, and economic in the world. On the other hand, it is also excessively reliant on foreign energy sources, experiences high volatility in energy prices, does not always practice good stewardship of finite indigenous energy resources, and emits significant quantities of greenhouse gas. The U.S. Department of Energy is conducting research and development on advanced nuclear reactor concepts and technologies, including High Temperature Gas Reactor (HTGR) technologies, directed at helping the United States meet its current and future energy challenges. This report discusses the Draft Strategic Impact Model (SIM), an initial version of which was created during the later part of FY-2010. SIM was developed to analyze and depict the benefits of various energy sources in meeting the energy demand and to provide an overall system understanding of the tradeoffs between building and using HTGRs versus other existing technologies for providing energy (heat and electricity) to various energy-use sectors in the United States. This report also provides the assumptions used in the model, the rationale for the methodology, and the references for the source documentation and source data used in developing the SIM.

  19. Planar version of the CPT-even gauge sector of the standard model extension

    International Nuclear Information System (INIS)

    Ferreira Junior, Manoel M.; Casana, Rodolfo; Gomes, Adalto Rodrigues; Carvalho, Eduardo S.

    2011-01-01

    The CPT-even abelian gauge sector of the Standard Model Extension is represented by the Maxwell term supplemented by (K F ) μνρσ F μν F ρσ , where the Lorentz-violating background tensor, (K F ) μνρσ , possesses the symmetries of the Riemann tensor and a double null trace, which renders nineteen independent components. From these ones, ten components yield birefringence while nine are nonbirefringent ones. In the present work, we examine the planar version of this theory, obtained by means of a typical dimensional reduction procedure to (1 + 2) dimensions. We obtain a kind of planar scalar electrodynamics, which is composed of a gauge sector containing six Lorentz-violating coefficients, a scalar field endowed with a noncanonical kinetic term, and a coupling term that links the scalar and gauge sectors. The dispersion relation is exactly determined, revealing that the six parameters related to the pure electromagnetic sector do not yield birefringence at any order. In this model, the birefringence may appear only as a second order effect associated with the coupling tensor linking the gauge and scalar sectors.The equations of motion are written and solved in the stationary regime. The Lorentz-violating parameters do not alter the asymptotic behavior of the fields but induce an angular dependence not observed in the Maxwell planar theory. The energy-momentum tensor was evaluated as well, revealing that the theory presents energy stability. (author)

  20. A multi-sectoral version of the Post-Keynesian growth model

    Directory of Open Access Journals (Sweden)

    Ricardo Azevedo Araujo

    2015-03-01

    Full Text Available Abstract With this inquiry, we seek to develop a disaggregated version of the post-Keynesian approach to economic growth, by showing that indeed it can be treated as a particular case of the Pasinettian model of structural change and economic expansion. By relying upon vertical integration it becomes possible to carry out the analysis initiated by Kaldor (1956 and Robinson (1956, 1962, and followed by Dutt (1984, Rowthorn (1982 and later Bhaduri and Marglin (1990 in a multi-sectoral model in which demand and productivity increase at different paces in each sector. By adopting this approach it is possible to show that the structural economic dynamics is conditioned not only to patterns of evolving demand and diffusion of technological progress but also to the distributive features of the economy, which can give rise to different regimes of economic growth. Besides, we find it possible to determine the natural rate of profit that makes the mark-up rate to be constant over time.

  1. Systems Security Engineering Capability Maturity Model (SSECMM), Model Description, Version 1.1

    National Research Council Canada - National Science Library

    1997-01-01

    This document is designed to acquaint the reader with the SSE-CMM Project as a whole and present the project's major work product - the Systems Security Engineering Capability Maturity Model (SSE- CMM...

  2. Modeling Manganese Sorption and Surface Oxidation During Filtration

    OpenAIRE

    Bierlein, Kevin Andrew

    2012-01-01

    Soluble manganese (Mn) is a common contaminant in drinking water sources. High levels of Mn can lead to aesthetic water quality problems, necessitating removal of Mn during treatment to minimize consumer complaints. Mn may be removed during granular media filtration by the â natural greensand effect,â in which soluble Mn adsorbs to manganese oxide-coated (MnOx(s)) media and is then oxidized by chlorine, forming more manganese oxide. This research builds on a previous model developed by Mer...

  3. A Simplified Model for Volatile-N Oxidation

    DEFF Research Database (Denmark)

    Hansen, Stine; Glarborg, Peter

    2010-01-01

    In solid fuel flames, NO is largely formed from the oxidation of volatile nitrogen compounds such as HCN and NH3. To be able to model the nitrogen chemistry in these flames, it is necessary to have an adequate model for volatile-N oxidation. Simple global models for oxidation of HCN and NH3 from...... the literature should be used cautiously, since their predictive capabilities are limited, particularly under reducing conditions. Models for HCN/NH3/NO conversion based on the systematic reduction of a detailed chemical kinetic model offer high accuracy but rely on input estimates of combustion intermediates...... for the sub-bituminous and bituminous coals, especially at lower temperatures. The semiempirical correlations for estimating radical concentrations may also be useful in combination with models for other trace species, such as sulfur oxides, organic species, etc....

  4. Integrated Farm System Model Version 4.2 and Dairy Gas Emissions Model Version 3.2 Software development and distribution

    Science.gov (United States)

    Emissions of ammonia (NH3) and nitrous oxide (N2O) vary among animal facilities due to differences in housing structure and associated manure management. Bedded pack barns are structures with a roof and sidewalls resulting in a lower air velocity and evaporation potential inside the structure. But s...

  5. Hydrogeochemical evaluation for Simpevarp model version 1.2. Preliminary site description of the Simpevarp area

    Energy Technology Data Exchange (ETDEWEB)

    Laaksoharju, Marcus (ed.) [Geopoint AB, Stockholm (Sweden)

    2004-12-01

    Siting studies for SKB's programme of deep geological disposal of nuclear fuel waste currently involves the investigation of two locations, Simpevarp and Forsmark, to determine their geological, hydrogeochemical and hydrogeological characteristics. Present work completed has resulted in Model version 1.2 which represents the second evaluation of the available Simpevarp groundwater analytical data collected up to April, 2004. The deepest fracture groundwater samples with sufficient analytical data reflected depths down to 1.7 km. Model version 1.2 focusses on geochemical and mixing processes affecting the groundwater composition in the uppermost part of the bedrock, down to repository levels, and eventually extending to 1000 m depth. The groundwater flow regimes at Laxemar/Simpevarp are considered local and extend down to depths of around 600-1000 m depending on local topography. The marked differences in the groundwater flow regimes between Laxemar and Simpevarp are reflected in the groundwater chemistry where four major hydrochemical groups of groundwaters (types A-D) have been identified: TYPE A: This type comprises dilute groundwaters (< 1000 mg/L Cl; 0.5-2.0 g/L TDS) of Na-HCO{sub 3} type present at shallow (<200 m) depths at Simpevarp, but at greater depths (0-900 m) at Laxemar. At both localities the groundwaters are marginally oxidising close to the surface, but otherwise reducing. Main reactions involve weathering, ion exchange (Ca, Mg), surface complexation, and dissolution of calcite. Redox reactions include precipitation of Fe-oxyhydroxides and some microbially mediated reactions (SRB). Meteoric recharge water is mainly present at Laxemar whilst at Simpevarp potential mixing of recharge meteoric water and a modern sea component is observed. Localised mixing of meteoric water with deeper saline groundwaters is indicated at both Laxemar and Simpevarp. TYPE B: This type comprises brackish groundwaters (1000-6000 mg/L Cl; 5-10 g/L TDS) present at

  6. A NetCDF version of the two-dimensional energy balance model based on the full multigrid algorithm

    Science.gov (United States)

    Zhuang, Kelin; North, Gerald R.; Stevens, Mark J.

    A NetCDF version of the two-dimensional energy balance model based on the full multigrid method in Fortran is introduced for both pedagogical and research purposes. Based on the land-sea-ice distribution, orbital elements, greenhouse gases concentration, and albedo, the code calculates the global seasonal surface temperature. A step-by-step guide with examples is provided for practice.

  7. RAMS Model for Terrestrial Pathways Version 3. 0 (for microcomputers). Model-Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Niebla, E.

    1989-01-01

    The RAMS Model for Terrestrial Pathways is a computer program for calculation of numeric criteria for land application and distribution and marketing of sludges under the sewage-sludge regulations at 40 CFR Part 503. The risk-assessment models covered assume that municipal sludge with specified characteristics is spread across a defined area of ground at a known rate once each year for a given number of years. Risks associated with direct land application of sludge applied after distribution and marketing are both calculated. The computer program calculates the maximum annual loading of contaminants that can be land applied and still meet the risk criteria specified as input. Software Description: The program is written in the Turbo/Basic programming language for implementation on IBM PC/AT or compatible machines using DOS 3.0 or higher operating system. Minimum core storage is 512K.

  8. The Community WRF-Hydro Modeling System Version 4 Updates: Merging Toward Capabilities of the National Water Model

    Science.gov (United States)

    McAllister, M.; Gochis, D.; Dugger, A. L.; Karsten, L. R.; McCreight, J. L.; Pan, L.; Rafieeinasab, A.; Read, L. K.; Sampson, K. M.; Yu, W.

    2017-12-01

    The community WRF-Hydro modeling system is publicly available and provides researchers and operational forecasters a flexible and extensible capability for performing multi-scale, multi-physics options for hydrologic modeling that can be run independent or fully-interactive with the WRF atmospheric model. The core WRF-Hydro physics model contains very high-resolution descriptions of terrestrial hydrologic process representations such as land-atmosphere exchanges of energy and moisture, snowpack evolution, infiltration, terrain routing, channel routing, basic reservoir representation and hydrologic data assimilation. Complementing the core physics components of WRF-Hydro are an ecosystem of pre- and post-processing tools that facilitate the preparation of terrain and meteorological input data, an open-source hydrologic model evaluation toolset (Rwrfhydro), hydrologic data assimilation capabilities with DART and advanced model visualization capabilities. The National Center for Atmospheric Research (NCAR), through collaborative support from the National Science Foundation and other funding partners, provides community support for the entire WRF-Hydro system through a variety of mechanisms. This presentation summarizes the enhanced user support capabilities that are being developed for the community WRF-Hydro modeling system. These products and services include a new website, open-source code repositories, documentation and user guides, test cases, online training materials, live, hands-on training sessions, an email list serve, and individual user support via email through a new help desk ticketing system. The WRF-Hydro modeling system and supporting tools which now include re-gridding scripts and model calibration have recently been updated to Version 4 and are merging toward capabilities of the National Water Model.

  9. ASTER Global Digital Elevation Model Version 2 - summary of validation results

    Science.gov (United States)

    Tachikawa, Tetushi; Kaku, Manabu; Iwasaki, Akira; Gesch, Dean B.; Oimoen, Michael J.; Zhang, Z.; Danielson, Jeffrey J.; Krieger, Tabatha; Curtis, Bill; Haase, Jeff; Abrams, Michael; Carabajal, C.; Meyer, Dave

    2011-01-01

    On June 29, 2009, NASA and the Ministry of Economy, Trade and Industry (METI) of Japan released a Global Digital Elevation Model (GDEM) to users worldwide at no charge as a contribution to the Global Earth Observing System of Systems (GEOSS). This “version 1” ASTER GDEM (GDEM1) was compiled from over 1.2 million scenebased DEMs covering land surfaces between 83°N and 83°S latitudes. A joint U.S.-Japan validation team assessed the accuracy of the GDEM1, augmented by a team of 20 cooperators. The GDEM1 was found to have an overall accuracy of around 20 meters at the 95% confidence level. The team also noted several artifacts associated with poor stereo coverage at high latitudes, cloud contamination, water masking issues and the stacking process used to produce the GDEM1 from individual scene-based DEMs (ASTER GDEM Validation Team, 2009). Two independent horizontal resolution studies estimated the effective spatial resolution of the GDEM1 to be on the order of 120 meters.

  10. A physiologically based kinetic model for bacterial sulfide oxidation.

    Science.gov (United States)

    Klok, Johannes B M; de Graaff, Marco; van den Bosch, Pim L F; Boelee, Nadine C; Keesman, Karel J; Janssen, Albert J H

    2013-02-01

    In the biotechnological process for hydrogen sulfide removal from gas streams, a variety of oxidation products can be formed. Under natron-alkaline conditions, sulfide is oxidized by haloalkaliphilic sulfide oxidizing bacteria via flavocytochrome c oxidoreductase. From previous studies, it was concluded that the oxidation-reduction state of cytochrome c is a direct measure for the bacterial end-product formation. Given this physiological feature, incorporation of the oxidation state of cytochrome c in a mathematical model for the bacterial oxidation kinetics will yield a physiologically based model structure. This paper presents a physiologically based model, describing the dynamic formation of the various end-products in the biodesulfurization process. It consists of three elements: 1) Michaelis-Menten kinetics combined with 2) a cytochrome c driven mechanism describing 3) the rate determining enzymes of the respiratory system of haloalkaliphilic sulfide oxidizing bacteria. The proposed model is successfully validated against independent data obtained from biological respiration tests and bench scale gas-lift reactor experiments. The results demonstrate that the model is a powerful tool to describe product formation for haloalkaliphilic biomass under dynamic conditions. The model predicts a maximum S⁰ formation of about 98 mol%. A future challenge is the optimization of this bioprocess by improving the dissolved oxygen control strategy and reactor design. Copyright © 2012 Elsevier Ltd. All rights reserved.

  11. Atmospheric radionuclide transport model with radon postprocessor and SBG module. Model description version 2.8.0; ARTM. Atmosphaerisches Radionuklid-Transport-Modell mit Radon Postprozessor und SBG-Modul. Modellbeschreibung zu Version 2.8.0

    Energy Technology Data Exchange (ETDEWEB)

    Richter, Cornelia; Sogalla, Martin; Thielen, Harald; Martens, Reinhard

    2015-04-20

    The study on the atmospheric radionuclide transport model with radon postprocessor and SBG module (model description version 2.8.0) covers the following issues: determination of emissions, radioactive decay, atmospheric dispersion calculation for radioactive gases, atmospheric dispersion calculation for radioactive dusts, determination of the gamma cloud radiation (gamma submersion), terrain roughness, effective source height, calculation area and model points, geographic reference systems and coordinate transformations, meteorological data, use of invalid meteorological data sets, consideration of statistical uncertainties, consideration of housings, consideration of bumpiness, consideration of terrain roughness, use of frequency distributions of the hourly dispersion situation, consideration of the vegetation period (summer), the radon post processor radon.exe, the SBG module, modeling of wind fields, shading settings.

  12. Uniform California earthquake rupture forecast, version 3 (UCERF3): the time-independent model

    Science.gov (United States)

    Field, Edward H.; Biasi, Glenn P.; Bird, Peter; Dawson, Timothy E.; Felzer, Karen R.; Jackson, David D.; Johnson, Kaj M.; Jordan, Thomas H.; Madden, Christopher; Michael, Andrew J.; Milner, Kevin R.; Page, Morgan T.; Parsons, Thomas; Powers, Peter M.; Shaw, Bruce E.; Thatcher, Wayne R.; Weldon, Ray J.; Zeng, Yuehua; ,

    2013-01-01

    In this report we present the time-independent component of the Uniform California Earthquake Rupture Forecast, Version 3 (UCERF3), which provides authoritative estimates of the magnitude, location, and time-averaged frequency of potentially damaging earthquakes in California. The primary achievements have been to relax fault segmentation assumptions and to include multifault ruptures, both limitations of the previous model (UCERF2). The rates of all earthquakes are solved for simultaneously, and from a broader range of data, using a system-level "grand inversion" that is both conceptually simple and extensible. The inverse problem is large and underdetermined, so a range of models is sampled using an efficient simulated annealing algorithm. The approach is more derivative than prescriptive (for example, magnitude-frequency distributions are no longer assumed), so new analysis tools were developed for exploring solutions. Epistemic uncertainties were also accounted for using 1,440 alternative logic tree branches, necessitating access to supercomputers. The most influential uncertainties include alternative deformation models (fault slip rates), a new smoothed seismicity algorithm, alternative values for the total rate of M≥5 events, and different scaling relationships, virtually all of which are new. As a notable first, three deformation models are based on kinematically consistent inversions of geodetic and geologic data, also providing slip-rate constraints on faults previously excluded because of lack of geologic data. The grand inversion constitutes a system-level framework for testing hypotheses and balancing the influence of different experts. For example, we demonstrate serious challenges with the Gutenberg-Richter hypothesis for individual faults. UCERF3 is still an approximation of the system, however, and the range of models is limited (for example, constrained to stay close to UCERF2). Nevertheless, UCERF3 removes the apparent UCERF2 overprediction of

  13. User's guide to the MESOI diffusion model: Version 1.1 (for Data General Eclipse S/230 with AFOS)

    International Nuclear Information System (INIS)

    Athey, G.F.; Ramsdell, J.V.

    1982-09-01

    MESOI is an interactive, Langrangian puff trajectory model. The model theory is documented separately (Ramsdell and Athey, 1981). Version 1.1 is a modified form of the original 1.0. It is designed to run on a Data General Eclipse computer. The model has improved support features which make it useful as an emergency response tool. This report is intended to provide the user with the information necessary to successfully conduct model simulations using MESOI Version 1.1 and to use the support programs STAPREP and EXPLT. The user is also provided information on the use of the data file maintenance and review program UPDATE. Examples are given for the operation of the program. Test data sets are described which allow the user to practice with the programs and to confirm proper implementation and execution

  14. Model for low temperature oxidation during long term interim storage

    Energy Technology Data Exchange (ETDEWEB)

    Desgranges, Clara; Bertrand, Nathalie; Gauvain, Danielle; Terlain, Anne [Service de la Corrosion et du Comportement des Materiaux dans leur Environnement, CEA/Saclay - 91191 Gif-sur-Yvette Cedex (France); Poquillon, Dominique; Monceau, Daniel [CIRIMAT UMR 5085, ENSIACET-INPT, 31077 Toulouse Cedex 4 (France)

    2004-07-01

    For high-level nuclear waste containers in long-term interim storage, dry oxidation will be the first and the main degradation mode during about one century. The metal lost by dry oxidation over such a long period must be evaluated with a good reliability. To achieve this goal, modelling of the oxide scale growth is necessary and this is the aim of the dry oxidation studies performed in the frame of the COCON program. An advanced model based on the description of elementary mechanisms involved in scale growth at low temperatures, like partial interfacial control of the oxidation kinetics and/or grain boundary diffusion, is developed in order to increase the reliability of the long term extrapolations deduced from basic models developed from short time experiments. Since only few experimental data on dry oxidation are available in the temperature range of interest, experiments have also been performed to evaluate the relevant input parameters for models like grain size of oxide scale, considering iron as simplified material. (authors)

  15. Model for low temperature oxidation during long term interim storage

    International Nuclear Information System (INIS)

    Desgranges, Clara; Bertrand, Nathalie; Gauvain, Danielle; Terlain, Anne; Poquillon, Dominique; Monceau, Daniel

    2004-01-01

    For high-level nuclear waste containers in long-term interim storage, dry oxidation will be the first and the main degradation mode during about one century. The metal lost by dry oxidation over such a long period must be evaluated with a good reliability. To achieve this goal, modelling of the oxide scale growth is necessary and this is the aim of the dry oxidation studies performed in the frame of the COCON program. An advanced model based on the description of elementary mechanisms involved in scale growth at low temperatures, like partial interfacial control of the oxidation kinetics and/or grain boundary diffusion, is developed in order to increase the reliability of the long term extrapolations deduced from basic models developed from short time experiments. Since only few experimental data on dry oxidation are available in the temperature range of interest, experiments have also been performed to evaluate the relevant input parameters for models like grain size of oxide scale, considering iron as simplified material. (authors)

  16. Single-Column Modeling of Convection During the CINDY2011/DYNAMO Field Campaign With the CNRM Climate Model Version 6

    Science.gov (United States)

    Abdel-Lathif, Ahmat Younous; Roehrig, Romain; Beau, Isabelle; Douville, Hervé

    2018-03-01

    A single-column model (SCM) approach is used to assess the CNRM climate model (CNRM-CM) version 6 ability to represent the properties of the apparent heat source (Q1) and moisture sink (Q2) as observed during the 3 month CINDY2011/DYNAMO field campaign, over its Northern Sounding Array (NSA). The performance of the CNRM SCM is evaluated in a constrained configuration in which the latent and sensible heat surface fluxes are prescribed, as, when forced by observed sea surface temperature, the model is strongly limited by the underestimate of the surface fluxes, most probably related to the SCM forcing itself. The model exhibits a significant cold bias in the upper troposphere, near 200 hPa, and strong wet biases close to the surface and above 700 hPa. The analysis of the Q1 and Q2 profile distributions emphasizes the properties of the convective parameterization of the CNRM-CM physics. The distribution of the Q2 profile is particularly challenging. The model strongly underestimates the frequency of occurrence of the deep moistening profiles, which likely involve misrepresentation of the shallow and congestus convection. Finally, a statistical approach is used to objectively define atmospheric regimes and construct a typical convection life cycle. A composite analysis shows that the CNRM SCM captures the general transition from bottom-heavy to mid-heavy to top-heavy convective heating. Some model errors are shown to be related to the stratiform regimes. The moistening observed during the shallow and congestus convection regimes also requires further improvements of this CNRM-CM physics.

  17. Advanced methods of solid oxide fuel cell modeling

    CERN Document Server

    Milewski, Jaroslaw; Santarelli, Massimo; Leone, Pierluigi

    2011-01-01

    Fuel cells are widely regarded as the future of the power and transportation industries. Intensive research in this area now requires new methods of fuel cell operation modeling and cell design. Typical mathematical models are based on the physical process description of fuel cells and require a detailed knowledge of the microscopic properties that govern both chemical and electrochemical reactions. ""Advanced Methods of Solid Oxide Fuel Cell Modeling"" proposes the alternative methodology of generalized artificial neural networks (ANN) solid oxide fuel cell (SOFC) modeling. ""Advanced Methods

  18. Modeling CANDU type fuel behaviour during extended burnup irradiations using a revised version of the ELESIM code

    International Nuclear Information System (INIS)

    Arimescu, V.I.; Richmond, W.R.

    1992-05-01

    The high-burnup database for CANDU fuel, with a variety of cases, offers a good opportunity to check models of fuel behaviour, and to identify areas for improvement. Good agreement of calculated values of fission-gas release, and sheath hoop strain, with experimental data indicates that the global behaviour of the fuel element is adequately simulated by a computer code. Using, the ELESIM computer code, the fission-gas release, swelling, and fuel pellet expansion models were analysed, and changes made for gaseous swelling, and diffusional release of fission-gas atoms to the grain boundaries. Using this revised version of ELESIM, satisfactory agreement between measured values of fission-gas release was found for most of the high-burnup database cases. It is concluded that the revised version of the ELESIM code is able to simulate with reasonable accuracy high-burnup as well as low-burnup CANDU fuel

  19. A NetCDF version of the two-dimensional energy balance model based on the full multigrid algorithm

    Directory of Open Access Journals (Sweden)

    Kelin Zhuang

    2017-01-01

    Full Text Available A NetCDF version of the two-dimensional energy balance model based on the full multigrid method in Fortran is introduced for both pedagogical and research purposes. Based on the land–sea–ice distribution, orbital elements, greenhouse gases concentration, and albedo, the code calculates the global seasonal surface temperature. A step-by-step guide with examples is provided for practice.

  20. Programs OPTMAN and SHEMMAN Version 6 (1999) - Coupled-Channels optical model and collective nuclear structure calculation -

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Jong Hwa; Lee, Jeong Yeon; Lee, Young Ouk; Sukhovitski, Efrem Sh [Korea Atomic Energy Research Institute, Taejeon (Korea)

    2000-01-01

    Programs SHEMMAN and OPTMAN (Version 6) have been developed for determinations of nuclear Hamiltonian parameters and for optical model calculations, respectively. The optical model calculations by OPTMAN with coupling schemes built on wave functions functions of non-axial soft-rotator are self-consistent, since the parameters of the nuclear Hamiltonian are determined by adjusting the energies of collective levels to experimental values with SHEMMAN prior to the optical model calculation. The programs have been installed at Nuclear Data Evaluation Laboratory of KAERI. This report is intended as a brief manual of these codes. 43 refs., 9 figs., 1 tabs. (Author)

  1. Updates to the Demographic and Spatial Allocation Models to Produce Integrated Climate and Land Use Scenarios (ICLUS) (Final Report, Version 2)

    Science.gov (United States)

    EPA's announced the availability of the final report, Updates to the Demographic and Spatial Allocation Models to Produce Integrated Climate and Land Use Scenarios (ICLUS) (Version 2). This update furthered land change modeling by providing nationwide housing developmen...

  2. A mechanistic model on methane oxidation in the rice rhizosphere

    NARCIS (Netherlands)

    Bodegom, van P.M.; Leffelaar, P.A.; Goudriaan, J.

    2001-01-01

    A mechanistic model is presented on the processes leading to methane oxidation in rice rhizosphere. The model is driven by oxygen release from a rice root into anaerobic rice soil. Oxygen is consumed by heterotrophic and methanotrophic respiration, described by double Monod kinetics, and by iron

  3. Ab initio and kinetic modeling studies of formic acid oxidation

    DEFF Research Database (Denmark)

    Marshall, Paul; Glarborg, Peter

    2015-01-01

    A detailed chemical kinetic model for oxidation of formic acid (HOCHO) in flames has been developed, based on theoretical work and data from literature. Ab initio calculations were used to obtain rate coefficients for reactions of HOCHO with H, O, and HO2. Modeling predictions with the mechanism...

  4. Simplified kinetic models of methanol oxidation on silver

    DEFF Research Database (Denmark)

    Andreasen, A.; Lynggaard, H.; Stegelmann, C.

    2005-01-01

    Recently the authors developed a microkinetic model of methanol oxidation on silver [A. Andreasen, H. Lynggaard, C. Stegelmann, P. Stoltze, Surf. Sci. 544 (2003) 5-23]. The model successfully explains both surface science experiments and kinetic experiments at industrial conditions applying...

  5. Modeling of thermal expansion coefficient of perovskite oxide for solid oxide fuel cell cathode

    Science.gov (United States)

    Heydari, F.; Maghsoudipour, A.; Alizadeh, M.; Khakpour, Z.; Javaheri, M.

    2015-09-01

    Artificial intelligence models have the capacity to eliminate the need for expensive experimental investigation in various areas of manufacturing processes, including the material science. This study investigates the applicability of adaptive neuro-fuzzy inference system (ANFIS) approach for modeling the performance parameters of thermal expansion coefficient (TEC) of perovskite oxide for solid oxide fuel cell cathode. Oxides (Ln = La, Nd, Sm and M = Fe, Ni, Mn) have been prepared and characterized to study the influence of the different cations on TEC. Experimental results have shown TEC decreases favorably with substitution of Nd3+ and Mn3+ ions in the lattice. Structural parameters of compounds have been determined by X-ray diffraction, and field emission scanning electron microscopy has been used for the morphological study. Comparison results indicated that the ANFIS technique could be employed successfully in modeling thermal expansion coefficient of perovskite oxide for solid oxide fuel cell cathode, and considerable savings in terms of cost and time could be obtained by using ANFIS technique.

  6. Modeling of nitrous oxide production by autotrophic ammonia-oxidizing bacteria with multiple production pathways.

    Science.gov (United States)

    Ni, Bing-Jie; Peng, Lai; Law, Yingyu; Guo, Jianhua; Yuan, Zhiguo

    2014-04-01

    Autotrophic ammonia oxidizing bacteria (AOB) have been recognized as a major contributor to N2O production in wastewater treatment systems. However, so far N2O models have been proposed based on a single N2O production pathway by AOB, and there is still a lack of effective approach for the integration of these models. In this work, an integrated mathematical model that considers multiple production pathways is developed to describe N2O production by AOB. The pathways considered include the nitrifier denitrification pathway (N2O as the final product of AOB denitrification with NO2(-) as the terminal electron acceptor) and the hydroxylamine (NH2OH) pathway (N2O as a byproduct of incomplete oxidation of NH2OH to NO2(-)). In this model, the oxidation and reduction processes are modeled separately, with intracellular electron carriers introduced to link the two types of processes. The model is calibrated and validated using experimental data obtained with two independent nitrifying cultures. The model satisfactorily describes the N2O data from both systems. The model also predicts shifts of the dominating pathway at various dissolved oxygen (DO) and nitrite levels, consistent with previous hypotheses. This unified model is expected to enhance our ability to predict N2O production by AOB in wastewater treatment systems under varying operational conditions.

  7. SHADOW3: a new version of the synchrotron X-ray optics modelling package

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez del Rio, Manuel, E-mail: srio@esrf.eu [European Synchrotron Radiation Facility, 6 Jules Horowitz, 38000 Grenoble (France); Canestrari, Niccolo [CNRS, Grenoble (France); European Synchrotron Radiation Facility, 6 Jules Horowitz, 38000 Grenoble (France); Jiang, Fan; Cerrina, Franco [Boston University, 8 St Mary’s Street, Boston, MA 02215 (United States)

    2011-09-01

    SHADOW3, a new version of the X-ray tracing code SHADOW, is introduced. A new version of the popular X-ray tracing code SHADOW is presented. An important step has been made in restructuring the code following new computer engineering standards, ending with a modular Fortran 2003 structure and an application programming interface (API). The new code has been designed to be compatible with the original file-oriented SHADOW philosophy, but simplifying the compilation, installation and use. In addition, users can now become programmers using the newly designed SHADOW3 API for creating scripts, macros and programs; being able to deal with optical system optimization, image simulation, and also low transmission calculations requiring a large number of rays (>10{sup 6}). Plans for future development and questions on how to accomplish them are also discussed.

  8. SHADOW3: a new version of the synchrotron X-ray optics modelling package

    International Nuclear Information System (INIS)

    Sanchez del Rio, Manuel; Canestrari, Niccolo; Jiang, Fan; Cerrina, Franco

    2011-01-01

    SHADOW3, a new version of the X-ray tracing code SHADOW, is introduced. A new version of the popular X-ray tracing code SHADOW is presented. An important step has been made in restructuring the code following new computer engineering standards, ending with a modular Fortran 2003 structure and an application programming interface (API). The new code has been designed to be compatible with the original file-oriented SHADOW philosophy, but simplifying the compilation, installation and use. In addition, users can now become programmers using the newly designed SHADOW3 API for creating scripts, macros and programs; being able to deal with optical system optimization, image simulation, and also low transmission calculations requiring a large number of rays (>10 6 ). Plans for future development and questions on how to accomplish them are also discussed

  9. Presentation, calibration and validation of the low-order, DCESS Earth System Model (Version 1

    Directory of Open Access Journals (Sweden)

    J. O. Pepke Pedersen

    2008-11-01

    Full Text Available A new, low-order Earth System Model is described, calibrated and tested against Earth system data. The model features modules for the atmosphere, ocean, ocean sediment, land biosphere and lithosphere and has been designed to simulate global change on time scales of years to millions of years. The atmosphere module considers radiation balance, meridional transport of heat and water vapor between low-mid latitude and high latitude zones, heat and gas exchange with the ocean and sea ice and snow cover. Gases considered are carbon dioxide and methane for all three carbon isotopes, nitrous oxide and oxygen. The ocean module has 100 m vertical resolution, carbonate chemistry and prescribed circulation and mixing. Ocean biogeochemical tracers are phosphate, dissolved oxygen, dissolved inorganic carbon for all three carbon isotopes and alkalinity. Biogenic production of particulate organic matter in the ocean surface layer depends on phosphate availability but with lower efficiency in the high latitude zone, as determined by model fit to ocean data. The calcite to organic carbon rain ratio depends on surface layer temperature. The semi-analytical, ocean sediment module considers calcium carbonate dissolution and oxic and anoxic organic matter remineralisation. The sediment is composed of calcite, non-calcite mineral and reactive organic matter. Sediment porosity profiles are related to sediment composition and a bioturbated layer of 0.1 m thickness is assumed. A sediment segment is ascribed to each ocean layer and segment area stems from observed ocean depth distributions. Sediment burial is calculated from sedimentation velocities at the base of the bioturbated layer. Bioturbation rates and oxic and anoxic remineralisation rates depend on organic carbon rain rates and dissolved oxygen concentrations. The land biosphere module considers leaves, wood, litter and soil. Net primary production depends on atmospheric carbon dioxide concentration and

  10. Developments in kinetic modelling of chalcocite particle oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Jaervi, J; Ahokainen, T; Jokilaakso, A [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1998-12-31

    A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.

  11. Developments in kinetic modelling of chalcocite particle oxidation

    Energy Technology Data Exchange (ETDEWEB)

    Jaervi, J.; Ahokainen, T.; Jokilaakso, A. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Materials Processing and Powder Metallurgy

    1997-12-31

    A mathematical model for simulating chalcocite particle oxidation is presented. Combustion of pure chalcocite with oxygen is coded as a kinetic module which can be connected as a separate part of commercial CFD-package, PHOENICS. Heat transfer, fluid flow and combustion phenomena can be simulated using CFD-calculation together with the kinetic model. Interaction between gas phase and particles are taken into account by source terms. The aim of the kinetic model is to calculate the particle temperature, contents of species inside the particle, oxygen consumption and formation of sulphur dioxide. Four oxidation reactions are considered and the shrinking core model is used to describe the rate of the oxidation reactions. The model is verified by simulating the particle oxidation reactions in a laboratory scale laminar-flow furnace under different conditions and the model predicts the effects of charges correctly. In the future, the model validation will be done after experimental studies in the laminar flow-furnace. (author) 18 refs.

  12. Alternative model for the Great Oxidation Event

    Science.gov (United States)

    Bekker, A.

    2014-12-01

    Transition from the Archean, largely anoxic atmosphere and ocean to the Proterozoic oxidizing surface conditions has been inferred in Zimbabwe from the geochemical and geological evidence as early as 1927. Subsequent studies provided additional support for this interpretation, bracketed the transition between 2.45 and 2.32 Ga, and suggested temporal and cause-and-effect relationship with a series of the early Paleoproterozoic ice ages (including 4 discrete events). Recently recognized transient oxidation events of the Archean add texture to this pattern, but do not change it. The rise of atmospheric oxygen requires a misbalance between oxygen sinks and sources and most attention was focused on sinks. In contrast, change in oxygen supply related to low organic productivity in Archean oceans with limited nutrient contents are considered here. Although carbon isotope values of carbonates and organic carbon indicate substantial relative burial rate of organic carbon during the Archean, most of the earlier buried organic matter at that time was recycled to sediments during continental weathering, implying very low productivity and burial of 'new' organic carbon. Low contents of redox-sensitive elements, such as Mo, Cu, Zn, and V, in Archean seawater could have kept organic productivity and oxygen production at low levels. The GOE was immediately preceded by deposition of giant iron formations, accounting for more than 70% of world iron resources, and worldwide emplacement of a number of LIPs between 2.5 and 2.45 Ga, indicating enhanced delivery of nutrients and redox-sensitive elements to the oceans via submarine hydrothermal processes and continental weathering under CO2- and SO2-rich atmosphere and associated terrestrial acidic runoff. This enhanced emplacement of LIPs has been linked with the growth of continental crust, emergence of the first supercontinent, and mantle overturn at the Archean-Proterozoic boundary. The GOE could have thus been triggered by enhanced

  13. Item and response-category functioning of the Persian version of the KIDSCREEN-27: Rasch partial credit model

    Directory of Open Access Journals (Sweden)

    Jafari Peyman

    2012-10-01

    Full Text Available Abstract Background The purpose of the study was to determine whether the Persian version of the KIDSCREEN-27 has the optimal number of response category to measure health-related quality of life (HRQoL in children and adolescents. Moreover, we aimed to determine if all the items contributed adequately to their own domain. Findings The Persian version of the KIDSCREEN-27 was completed by 1083 school children and 1070 of their parents. The Rasch partial credit model (PCM was used to investigate item statistics and ordering of response categories. The PCM showed that no item was misfitting. The PCM also revealed that, successive response categories for all items were located in the expected order except for category 1 in self- and proxy-reports. Conclusions Although Rasch analysis confirms that all the items belong to their own underlying construct, response categories should be reorganized and evaluated in further studies, especially in children with chronic conditions.

  14. UNSAT-H Version 3.0: Unsaturated Soil Water and Heat Flow Model Theory, User Manual, and Examples

    International Nuclear Information System (INIS)

    Fayer, M.J.

    2000-01-01

    The UNSAT-H model was developed at Pacific Northwest National Laboratory (PNNL) to assess the water dynamics of arid sites and, in particular, estimate recharge fluxes for scenarios pertinent to waste disposal facilities. During the last 4 years, the UNSAT-H model received support from the Immobilized Waste Program (IWP) of the Hanford Site's River Protection Project. This program is designing and assessing the performance of on-site disposal facilities to receive radioactive wastes that are currently stored in single- and double-shell tanks at the Hanford Site (LMHC 1999). The IWP is interested in estimates of recharge rates for current conditions and long-term scenarios involving the vadose zone disposal of tank wastes. Simulation modeling with UNSAT-H is one of the methods being used to provide those estimates (e.g., Rockhold et al. 1995; Fayer et al. 1999). To achieve the above goals for assessing water dynamics and estimating recharge rates, the UNSAT-H model addresses soil water infiltration, redistribution, evaporation, plant transpiration, deep drainage, and soil heat flow as one-dimensional processes. The UNSAT-H model simulates liquid water flow using Richards' equation (Richards 1931), water vapor diffusion using Fick's law, and sensible heat flow using the Fourier equation. This report documents UNSAT-H .Version 3.0. The report includes the bases for the conceptual model and its numerical implementation, benchmark test cases, example simulations involving layered soils and plants, and the code manual. Version 3.0 is an, enhanced-capability update of UNSAT-H Version 2.0 (Fayer and Jones 1990). New features include hysteresis, an iterative solution of head and temperature, an energy balance check, the modified Picard solution technique, additional hydraulic functions, multiple-year simulation capability, and general enhancements

  15. Simulations of the Mid-Pliocene Warm Period Using Two Versions of the NASA-GISS ModelE2-R Coupled Model

    Science.gov (United States)

    Chandler, M. A.; Sohl, L. E.; Jonas, J. A.; Dowsett, H. J.; Kelley, M.

    2013-01-01

    The mid-Pliocene Warm Period (mPWP) bears many similarities to aspects of future global warming as projected by the Intergovernmental Panel on Climate Change (IPCC, 2007). Both marine and terrestrial data point to high-latitude temperature amplification, including large decreases in sea ice and land ice, as well as expansion of warmer climate biomes into higher latitudes. Here we present our most recent simulations of the mid-Pliocene climate using the CMIP5 version of the NASAGISS Earth System Model (ModelE2-R). We describe the substantial impact associated with a recent correction made in the implementation of the Gent-McWilliams ocean mixing scheme (GM), which has a large effect on the simulation of ocean surface temperatures, particularly in the North Atlantic Ocean. The effect of this correction on the Pliocene climate results would not have been easily determined from examining its impact on the preindustrial runs alone, a useful demonstration of how the consequences of code improvements as seen in modern climate control runs do not necessarily portend the impacts in extreme climates.Both the GM-corrected and GM-uncorrected simulations were contributed to the Pliocene Model Intercomparison Project (PlioMIP) Experiment 2. Many findings presented here corroborate results from other PlioMIP multi-model ensemble papers, but we also emphasize features in the ModelE2-R simulations that are unlike the ensemble means. The corrected version yields results that more closely resemble the ocean core data as well as the PRISM3D reconstructions of the mid-Pliocene, especially the dramatic warming in the North Atlantic and Greenland-Iceland-Norwegian Sea, which in the new simulation appears to be far more realistic than previously found with older versions of the GISS model. Our belief is that continued development of key physical routines in the atmospheric model, along with higher resolution and recent corrections to mixing parameterisations in the ocean model, have led

  16. Can polymer thermal oxidative ageing be modelled?

    International Nuclear Information System (INIS)

    Audouin, L.; Colin, X.; Fayolle, B.; Richaud, E.; Verdu, J.

    2010-01-01

    It has been supposed, for a long time, that kinetic modelling of polymer ageing for nonempirical lifetime prediction was out of reach for two main reasons: hyper-complexity of mechanisms and heterogeneity of reactions. The arguments relative to both aspects are examined here. It is concluded that, thanks to recent advances, especially the introduction of numerical methods, kinetic modelling is possible in various important practical cases. (authors)

  17. Categorical Inputs, Sensitivity Analysis, Optimization and Importance Tempering with tgp Version 2, an R Package for Treed Gaussian Process Models

    Directory of Open Access Journals (Sweden)

    Robert B. Gramacy

    2010-02-01

    Full Text Available This document describes the new features in version 2.x of the tgp package for R, implementing treed Gaussian process (GP models. The topics covered include methods for dealing with categorical inputs and excluding inputs from the tree or GP part of the model; fully Bayesian sensitivity analysis for inputs/covariates; sequential optimization of black-box functions; and a new Monte Carlo method for inference in multi-modal posterior distributions that combines simulated tempering and importance sampling. These additions extend the functionality of tgp across all models in the hierarchy: from Bayesian linear models, to classification and regression trees (CART, to treed Gaussian processes with jumps to the limiting linear model. It is assumed that the reader is familiar with the baseline functionality of the package, outlined in the first vignette (Gramacy 2007.

  18. Land-total and Ocean-total Precipitation and Evaporation from a Community Atmosphere Model version 5 Perturbed Parameter Ensemble

    Energy Technology Data Exchange (ETDEWEB)

    Covey, Curt [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lucas, Donald D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Trenberth, Kevin E. [National Center for Atmospheric Research, Boulder, CO (United States)

    2016-03-02

    This document presents the large scale water budget statistics of a perturbed input-parameter ensemble of atmospheric model runs. The model is Version 5.1.02 of the Community Atmosphere Model (CAM). These runs are the “C-Ensemble” described by Qian et al., “Parametric Sensitivity Analysis of Precipitation at Global and Local Scales in the Community Atmosphere Model CAM5” (Journal of Advances in Modeling the Earth System, 2015). As noted by Qian et al., the simulations are “AMIP type” with temperature and sea ice boundary conditions chosen to match surface observations for the five year period 2000-2004. There are 1100 ensemble members in addition to one run with default inputparameter values.

  19. Evaluation of dust and trace metal estimates from the Community Multiscale Air Quality (CMAQ model version 5.0

    Directory of Open Access Journals (Sweden)

    K. W. Appel

    2013-07-01

    Full Text Available The Community Multiscale Air Quality (CMAQ model is a state-of-the-science air quality model that simulates the emission, transformation, transport, and fate of the many different air pollutant species that comprise particulate matter (PM, including dust (or soil. The CMAQ model version 5.0 (CMAQv5.0 has several enhancements over the previous version of the model for estimating the emission and transport of dust, including the ability to track the specific elemental constituents of dust and have the model-derived concentrations of those elements participate in chemistry. The latest version of the model also includes a parameterization to estimate emissions of dust due to wind action. The CMAQv5.0 modeling system was used to simulate the entire year 2006 for the continental United States, and the model estimates were evaluated against daily surface-based measurements from several air quality networks. The CMAQ modeling system overall did well replicating the observed soil concentrations in the western United States (mean bias generally around ±0.5 μg m−3; however, the model consistently overestimated the observed soil concentrations in the eastern United States (mean bias generally between 0.5–1.5 μg m−3, regardless of season. The performance of the individual trace metals was highly dependent on the network, species, and season, with relatively small biases for Fe, Al, Si, and Ti throughout the year at the Interagency Monitoring of Protected Visual Environments (IMPROVE sites, while Ca, K, and Mn were overestimated and Mg underestimated. For the urban Chemical Speciation Network (CSN sites, Fe, Mg, and Mn, while overestimated, had comparatively better performance throughout the year than the other trace metals, which were consistently overestimated, including very large overestimations of Al (380%, Ti (370% and Si (470% in the fall. An underestimation of nighttime mixing in the urban areas appears to contribute to the overestimation of

  20. Result Summary for the Area 5 Radioactive Waste Management Site Performance Assessment Model Version 4.110

    International Nuclear Information System (INIS)

    2011-01-01

    Results for Version 4.110 of the Area 5 Radioactive Waste Management Site (RWMS) performance assessment (PA) model are summarized. Version 4.110 includes the fiscal year (FY) 2010 inventory estimate, including a future inventory estimate. Version 4.110 was implemented in GoldSim 10.11(SP4). The following changes have been implemented since the last baseline model, Version 4.105: (1) Updated the inventory and disposal unit configurations with data through the end of FY 2010. (1) Implemented Federal Guidance Report 13 Supplemental CD dose conversion factors (U.S. Environmental Protection Agency, 1999). Version 4.110 PA results comply with air pathway and all-pathways annual total effective dose (TED) performance objectives (Tables 2 and 3, Figures 1 and 2). Air pathways results decrease moderately for all scenarios. The time of the maximum for the air pathway open rangeland scenario shifts from 1,000 to 100 years (y). All-pathways annual TED increases for all scenarios except the resident scenario. The maximum member of public all-pathways dose occurs at 1,000 y for the resident farmer scenario. The resident farmer dose was predominantly due to technetium-99 (Tc-99) (82 percent) and lead-210 (Pb-210) (13 percent). Pb-210 present at 1,000 y is produced predominantly by radioactive decay of uranium-234 (U-234) present at the time of disposal. All results for the postdrilling and intruder-agriculture scenarios comply with the performance objectives (Tables 4 and 5, Figures 3 and 4). The postdrilling intruder results are similar to Version 4.105 results. The intruder-agriculture results are similar to Version 4.105, except for the Pit 6 Radium Disposal Unit (RaDU). The intruder-agriculture result for the Shallow Land Burial (SLB) disposal units is a significant fraction of the performance objective and exceeds the performance objective at the 95th percentile. The intruder-agriculture dose is due predominantly to Tc-99 (75 percent) and U-238 (9.5 percent). The acute

  1. Oxide-supported metal clusters: models for heterogeneous catalysts

    International Nuclear Information System (INIS)

    Santra, A K; Goodman, D W

    2003-01-01

    Understanding the size-dependent electronic, structural and chemical properties of metal clusters on oxide supports is an important aspect of heterogeneous catalysis. Recently model oxide-supported metal catalysts have been prepared by vapour deposition of catalytically relevant metals onto ultra-thin oxide films grown on a refractory metal substrate. Reactivity and spectroscopic/microscopic studies have shown that these ultra-thin oxide films are excellent models for the corresponding bulk oxides, yet are sufficiently electrically conductive for use with various modern surface probes including scanning tunnelling microscopy (STM). Measurements on metal clusters have revealed a metal to nonmetal transition as well as changes in the crystal and electronic structures (including lattice parameters, band width, band splitting and core-level binding energy shifts) as a function of cluster size. Size-dependent catalytic reactivity studies have been carried out for several important reactions, and time-dependent catalytic deactivation has been shown to arise from sintering of metal particles under elevated gas pressures and/or reactor temperatures. In situ STM methodologies have been developed to follow the growth and sintering kinetics on a cluster-by-cluster basis. Although several critical issues have been addressed by several groups worldwide, much more remains to be done. This article highlights some of these accomplishments and summarizes the challenges that lie ahead. (topical review)

  2. Modelling toluene oxidation : Incorporation of mass transfer phenomena

    NARCIS (Netherlands)

    Hoorn, J.A.A.; van Soolingen, J.; Versteeg, G. F.

    The kinetics of the oxidation of toluene have been studied in close interaction with the gas-liquid mass transfer occurring in the reactor. Kinetic parameters for a simple model have been estimated on basis of experimental observations performed under industrial conditions. The conclusions for the

  3. Modelling the change in the oxidation coefficient during the aerobic ...

    African Journals Online (AJOL)

    In this work the aerobic degradation of phenol by acclimated activated sludge was studied. Results demonstrate that while the phenol removal rate by acclimated activated sludge follows the Monod model, the oxygen uptake rate obeys a Haldane-type equation. The phenol oxidation coefficient obtained at different intial ...

  4. A conceptual model for the fuel oxidation of defective fuel

    International Nuclear Information System (INIS)

    Higgs, J.D.; Lewis, B.J.; Thompson, W.T.; He, Z.

    2007-01-01

    A mechanistic conceptual model has been developed to predict the fuel oxidation behaviour in operating defective fuel elements for water-cooled nuclear reactors. This theoretical work accounts for gas-phase transport and sheath reactions in the fuel-to-sheath gap to determine the local oxygen potential. An improved thermodynamic analysis has also been incorporated into the model to describe the equilibrium state of the oxidized fuel. The fuel oxidation kinetics treatment accounts for multi-phase transport including normal diffusion and thermodiffusion for interstitial oxygen migration in the solid, as well as gas-phase transport in the fuel pellet cracks. The fuel oxidation treatment is further coupled to a heat conduction equation. A numerical solution of the coupled transport equations is obtained by a finite-element technique with the FEMLAB 3.1 software package. The model is able to provide radial-axial profiles of the oxygen-to-uranium ratio and the fuel temperatures as a function of time in the defective element for a wide range of element powers and defect sizes. The model results are assessed against coulometric titration measurements of the oxygen-to-metal profile for pellet samples taken from ten spent defective elements discharged from the National Research Universal Reactor at the Chalk River Laboratories and commercial reactors

  5. Update of the Polar SWIFT model for polar stratospheric ozone loss (Polar SWIFT version 2

    Directory of Open Access Journals (Sweden)

    I. Wohltmann

    2017-07-01

    Full Text Available The Polar SWIFT model is a fast scheme for calculating the chemistry of stratospheric ozone depletion in polar winter. It is intended for use in global climate models (GCMs and Earth system models (ESMs to enable the simulation of mutual interactions between the ozone layer and climate. To date, climate models often use prescribed ozone fields, since a full stratospheric chemistry scheme is computationally very expensive. Polar SWIFT is based on a set of coupled differential equations, which simulate the polar vortex-averaged mixing ratios of the key species involved in polar ozone depletion on a given vertical level. These species are O3, chemically active chlorine (ClOx, HCl, ClONO2 and HNO3. The only external input parameters that drive the model are the fraction of the polar vortex in sunlight and the fraction of the polar vortex below the temperatures necessary for the formation of polar stratospheric clouds. Here, we present an update of the Polar SWIFT model introducing several improvements over the original model formulation. In particular, the model is now trained on vortex-averaged reaction rates of the ATLAS Chemistry and Transport Model, which enables a detailed look at individual processes and an independent validation of the different parameterizations contained in the differential equations. The training of the original Polar SWIFT model was based on fitting complete model runs to satellite observations and did not allow for this. A revised formulation of the system of differential equations is developed, which closely fits vortex-averaged reaction rates from ATLAS that represent the main chemical processes influencing ozone. In addition, a parameterization for the HNO3 change by denitrification is included. The rates of change of the concentrations of the chemical species of the Polar SWIFT model are purely chemical rates of change in the new version, whereas in the original Polar SWIFT model, they included a transport effect

  6. Implementation of methane cycling for deep time, global warming simulations with the DCESS Earth System Model (Version 1.2)

    DEFF Research Database (Denmark)

    Shaffer, Gary; Villanueva, Esteban Fernández; Rondanelli, Roberto

    2017-01-01

    Geological records reveal a number of ancient, large and rapid negative excursions of carbon-13 isotope. Such excursions can only be explained by massive injections of depleted carbon to the Earth System over a short duration. These injections may have forced strong global warming events, sometimes....... With this improved DCESS model version and paleo-reconstructions, we are now better armed to gauge the amounts, types, time scales and locations of methane injections driving specific, observed deep time, global warming events....

  7. Vortex dynamics in nonrelativistic version of Abelian Higgs model: Effects of the medium on the vortex motion

    Directory of Open Access Journals (Sweden)

    Kozhevnikov Arkadii

    2016-01-01

    Full Text Available The closed vortex dynamics is considered in the nonrelativistic version of the Abelian Higgs Model. The effect of the exchange of excitations propagating in the medium on the vortex string motion is taken into account. The obtained are the effective action and the equation of motion both including the exchange of the propagating excitations between the distant segments of the vortex and the possibility of its interaction with the static fermion asymmetric background. They are applied to the derivation of the time dependence of the basic geometrical contour characteristics.

  8. Oxidative stress of crystalline lens in rat menopausal model

    OpenAIRE

    Acer, Semra; Pekel, Gökhan; Küçükatay, Vural; Karabulut, Aysun; Yağcı, Ramazan; Çetin, Ebru Nevin; Akyer, Şahika Pınar; Şahin, Barbaros

    2016-01-01

    ABSTRACT Purpose: To evaluate lenticular oxidative stress in rat menopausal models. Methods: Forty Wistar female albino rats were included in this study. A total of thirty rats underwent oophorectomy to generate a menopausal model. Ten rats that did not undergo oophorectomy formed the control group (Group 1). From the rats that underwent oophorectomy, 10 formed the menopause control group (Group 2), 10 were administered a daily injection of methylprednisolone until the end of the study (Gro...

  9. Homogeneity of Continuum Model of an Unsteady State Fixed Bed Reactor for Lean CH4 Oxidation

    Directory of Open Access Journals (Sweden)

    Subagjo

    2014-07-01

    Full Text Available In this study, the homogeneity of the continuum model of a fixed bed reactor operated in steady state and unsteady state systems for lean CH4 oxidation is investigated. The steady-state fixed bed reactor system was operated under once-through direction, while the unsteady-state fixed bed reactor system was operated under flow reversal. The governing equations consisting of mass and energy balances were solved using the FlexPDE software package, version 6. The model selection is indispensable for an effective calculation since the simulation of a reverse flow reactor is time-consuming. The homogeneous and heterogeneous models for steady state operation gave similar conversions and temperature profiles, with a deviation of 0.12 to 0.14%. For reverse flow operation, the deviations of the continuum models of thepseudo-homogeneous and heterogeneous models were in the range of 25-65%. It is suggested that pseudo-homogeneous models can be applied to steady state systems, whereas heterogeneous models have to be applied to unsteady state systems.

  10. Recent extensions and use of the statistical model code EMPIRE-II - version: 2.17 Millesimo

    International Nuclear Information System (INIS)

    Herman, M.

    2003-01-01

    This lecture notes describe new features of the modular code EMPIRE-2.17 designed to perform comprehensive calculations of nuclear reactions using variety of nuclear reaction models. Compared to the version 2.13, the current release has been extended by including Coupled-Channel mechanism, exciton model, Monte Carlo approach to preequilibrium emission, use of microscopic level densities, widths fluctuation correction, detailed calculation of the recoil spectra, and powerful plotting capabilities provided by the ZVView package. The second part of this lecture concentrates on the use of the code in practical calculations, with emphasis on the aspects relevant to nuclear data evaluation. In particular, adjusting model parameters is discussed in details. (author)

  11. A model of pyritic oxidation in waste rock dumps

    International Nuclear Information System (INIS)

    Davis, G.B.; Ritchie, A.I.M.

    1983-01-01

    The oxidation of pyrite can lead to high acid levels and high concentrations of trace metals in the water that runs off and percolates through pyritic material. This is the situation at the abandoned uranium mine at Rum Jungle in the Northern Territory of Australia, where pyritic oxidation in the waste rock dumps resulting from open cut mining of the uranium orebody has led to pollution of the nearby East Branch of the Finniss River, with trace metals such as copper, manganese and zinc. Mathematical equations are formulated which describe a model of pyritic oxidation within a waste rock dump, where it is assumed that oxygen transport is the rate limiting step in the oxidation process and that oxygen is transported by gaseous diffusion through the pore space of the dump, followed by diffusion into oxidation sites within the particles that comprise the dump. The equations have been solved numerically assuming values for such parameters as porosity, sulphur density and oxygen diffusion coefficients which are applicable to the waste rock dumps at Rum Jungle. An approximate solution to the equations is also presented. Calculations of the heat source distribution and the total SO 4 production rate are presented for both single size particles and for a range of particle sizes in the dump. The usefulness of the approximate solution, and of calculations based on single size particles in the dump in assessing the effectiveness of strategies to reduce pollution from such waste rock dumps are discussed

  12. Online dynamical downscaling of temperature and precipitation within the iLOVECLIM model (version 1.1)

    Science.gov (United States)

    Quiquet, Aurélien; Roche, Didier M.; Dumas, Christophe; Paillard, Didier

    2018-02-01

    This paper presents the inclusion of an online dynamical downscaling of temperature and precipitation within the model of intermediate complexity iLOVECLIM v1.1. We describe the following methodology to generate temperature and precipitation fields on a 40 km × 40 km Cartesian grid of the Northern Hemisphere from the T21 native atmospheric model grid. Our scheme is not grid specific and conserves energy and moisture in the same way as the original climate model. We show that we are able to generate a high-resolution field which presents a spatial variability in better agreement with the observations compared to the standard model. Although the large-scale model biases are not corrected, for selected model parameters, the downscaling can induce a better overall performance compared to the standard version on both the high-resolution grid and on the native grid. Foreseen applications of this new model feature include the improvement of ice sheet model coupling and high-resolution land surface models.

  13. Online dynamical downscaling of temperature and precipitation within the iLOVECLIM model (version 1.1

    Directory of Open Access Journals (Sweden)

    A. Quiquet

    2018-02-01

    Full Text Available This paper presents the inclusion of an online dynamical downscaling of temperature and precipitation within the model of intermediate complexity iLOVECLIM v1.1. We describe the following methodology to generate temperature and precipitation fields on a 40 km  ×  40 km Cartesian grid of the Northern Hemisphere from the T21 native atmospheric model grid. Our scheme is not grid specific and conserves energy and moisture in the same way as the original climate model. We show that we are able to generate a high-resolution field which presents a spatial variability in better agreement with the observations compared to the standard model. Although the large-scale model biases are not corrected, for selected model parameters, the downscaling can induce a better overall performance compared to the standard version on both the high-resolution grid and on the native grid. Foreseen applications of this new model feature include the improvement of ice sheet model coupling and high-resolution land surface models.

  14. A psychometric evaluation of the Swedish version of the Research Utilization Questionnaire using a Rasch measurement model.

    Science.gov (United States)

    Lundberg, Veronica; Boström, Anne-Marie; Malinowsky, Camilla

    2017-07-30

    Evidence-based practice and research utilisation has become a commonly used concept in health care. The Research Utilization Questionnaire (RUQ) has been recognised to be a widely used instrument measuring the perception of research utilisation among nursing staff in clinical practice. Few studies have however analysed the psychometric properties of the RUQ. The aim of this study was to examine the psychometric properties of the Swedish version of the three subscales in RUQ using a Rasch measurement model. This study has a cross-sectional design using a sample of 163 staff (response rate 81%) working in one nursing home in Sweden. Data were collected using the Swedish version of RUQ in 2012. The three subscales Attitudes towards research, Availability of and support for research use and Use of research findings in clinical practice were investigated. Data were analysed using a Rasch measurement model. The results indicate presence of multidimensionality in all subscales. Moreover, internal scale validity and person response validity also provide some less satisfactory results, especially for the subscale Use of research findings. Overall, there seems to be a problem with the negatively worded statements. The findings suggest that clarification and refining of items, including additional psychometric evaluation of the RUQ, are needed before using the instrument in clinical practice and research studies among staff in nursing homes. © 2017 Nordic College of Caring Science.

  15. Validation of the malaysian versions of parents and children health survey for asthma by using rasch-model.

    Science.gov (United States)

    Hussein, Maryam Se; Akram, Waqas; Mamat, Mohd Nor; Majeed, Abu Bakar Abdul; Ismail, Nahlah Elkudssiah Binti

    2015-04-01

    In recent years, health-related quality of life (HRQOL) has become an important outcome measure in epidemiologic studies and clinical trials. For patients with asthma there are many instruments but most of them have been developed in English. With the increase in research project, researchers working in other languages have two options; either to develop a new measure or to translate an already developed measure. Children Health Survey for Asthma is developed by American Academy of Paediatrics which has two versions one for the parents (CHSA) and the other for the child (CHSA-C). However, there is no Malay version of the CHSA or the CHSA-C. The aim of this study was to translate and determine the validity and reliability of the Malaysian versions of Parent and Children Health Survey for Asthma. Questionnaires were translated to Bahasa Malayu using previously established guidelines, data from 180 respondents (asthmatic children and their parent) were analysed using Rasch-Model; as, it is an approach that has been increasingly used in health field and also it explores the performance of each item rather than total set score. The internal consistency was high for the parent questionnaire (CHSA) (reliability score for persons = 0.88 and for items was 0.97), and good for child questionnaire (CHSA-C) (reliability score for persons = 0.83 and for items was 0.94). Also, this study shows that all items measure for both questionnaires (CHSA and CHSA-C) are fitted to Rasch-Model. This study produced questionnaires that are conceptually equivalent to the original, easy to understand for the children and their parents, and good in terms of internal consistency. Because of the questionnaire has two versions one for the child and the other for the parents, they could be used in clinical practice to measure the effect of asthma on the child and their families. This current research had translated two instruments to other language (BahasaMalayu) and evaluated their reliability and

  16. Accounting for observation uncertainties in an evaluation metric of low latitude turbulent air-sea fluxes: application to the comparison of a suite of IPSL model versions

    Science.gov (United States)

    Servonnat, Jérôme; Găinuşă-Bogdan, Alina; Braconnot, Pascale

    2017-09-01

    Turbulent momentum and heat (sensible heat and latent heat) fluxes at the air-sea interface are key components of the whole energetic of the Earth's climate. The evaluation of these fluxes in the climate models is still difficult because of the large uncertainties associated with the reference products. In this paper we present an objective metric accounting for reference uncertainties to evaluate the annual cycle of the low latitude turbulent fluxes of a suite of IPSL climate models. This metric consists in a Hotelling T 2 test between the simulated and observed field in a reduce space characterized by the dominant modes of variability that are common to both the model and the reference, taking into account the observational uncertainty. The test is thus more severe when uncertainties are small as it is the case for sea surface temperature (SST). The results of the test show that for almost all variables and all model versions the model-reference differences are not zero. It is not possible to distinguish between model versions for sensible heat and meridional wind stress, certainly due to the large observational uncertainties. All model versions share similar biases for the different variables. There is no improvement between the reference versions of the IPSL model used for CMIP3 and CMIP5. The test also reveals that the higher horizontal resolution fails to improve the representation of the turbulent surface fluxes compared to the other versions. The representation of the fluxes is further degraded in a version with improved atmospheric physics with an amplification of some of the biases in the Indian Ocean and in the intertropical convergence zone. The ranking of the model versions for the turbulent fluxes is not correlated with the ranking found for SST. This highlights that despite the fact that SST gradients are important for the large-scale atmospheric circulation patterns, other factors such as wind speed, and air-sea temperature contrast play an

  17. Approaches in highly parameterized inversion—PEST++ Version 3, a Parameter ESTimation and uncertainty analysis software suite optimized for large environmental models

    Science.gov (United States)

    Welter, David E.; White, Jeremy T.; Hunt, Randall J.; Doherty, John E.

    2015-09-18

    The PEST++ Version 1 object-oriented parameter estimation code is here extended to Version 3 to incorporate additional algorithms and tools to further improve support for large and complex environmental modeling problems. PEST++ Version 3 includes the Gauss-Marquardt-Levenberg (GML) algorithm for nonlinear parameter estimation, Tikhonov regularization, integrated linear-based uncertainty quantification, options of integrated TCP/IP based parallel run management or external independent run management by use of a Version 2 update of the GENIE Version 1 software code, and utilities for global sensitivity analyses. The Version 3 code design is consistent with PEST++ Version 1 and continues to be designed to lower the barriers of entry for users as well as developers while providing efficient and optimized algorithms capable of accommodating large, highly parameterized inverse problems. As such, this effort continues the original focus of (1) implementing the most popular and powerful features of the PEST software suite in a fashion that is easy for novice or experienced modelers to use and (2) developing a software framework that is easy to extend.

  18. A microkinetic model of the methanol oxidation over silver

    DEFF Research Database (Denmark)

    Andreasen, A.; Lynggaard, H.; Stegelmann, C.

    2003-01-01

    A simple microkinetic model for the oxidation of methanol on silver based on surface science studies at UHV and low temperatures has been formulated. The reaction mechanism is a simple Langmuir-Hinshelwood mechanism, with one type of active oxygen and one route to formaldehyde and carbon dioxide......, respectively. The model explains observed reaction orders, selectivity, apparent activation enthalpies and the choice of industrial reaction conditions. More interesting the model disproves the notion that the mechanism deduced from surface science in UHV cannot be responsible for formaldehyde synthesis...

  19. Impedance Modeling of Solid Oxide Fuel Cell Cathodes

    DEFF Research Database (Denmark)

    Mortensen, Jakob Egeberg; Søgaard, Martin; Jacobsen, Torben

    2010-01-01

    A 1-dimensional impedance model for a solid oxide fuel cell cathode is formulated and applied to a cathode consisting of 50/50 wt% strontium doped lanthanum cobaltite and gadolinia doped ceria. A total of 42 impedance spectra were recorded in the temperature range: 555-852°C and in the oxygen...... partial pressure range 0.028-1.00 atm. The recorded impedance spectra were successfully analyzed using the developed impedance model in the investigated temperature and oxygen partial pressure range. It is also demonstrated that the model can be used to predict how impedance spectra evolve with different...

  20. Assessment of two versions of regional climate model in simulating the Indian Summer Monsoon over South Asia CORDEX domain

    Science.gov (United States)

    Pattnayak, K. C.; Panda, S. K.; Saraswat, Vaishali; Dash, S. K.

    2018-04-01

    This study assess the performance of two versions of Regional Climate Model (RegCM) in simulating the Indian summer monsoon over South Asia for the period 1998 to 2003 with an aim of conducting future climate change simulations. Two sets of experiments were carried out with two different versions of RegCM (viz. RegCM4.2 and RegCM4.3) with the lateral boundary forcings provided from European Center for Medium Range Weather Forecast Reanalysis (ERA-interim) at 50 km horizontal resolution. The major updates in RegCM4.3 in comparison to the older version RegCM4.2 are the inclusion of measured solar irradiance in place of hardcoded solar constant and additional layers in the stratosphere. The analysis shows that the Indian summer monsoon rainfall, moisture flux and surface net downward shortwave flux are better represented in RegCM4.3 than that in the RegCM4.2 simulations. Excessive moisture flux in the RegCM4.2 simulation over the northern Arabian Sea and Peninsular India resulted in an overestimation of rainfall over the Western Ghats, Peninsular region as a result of which the all India rainfall has been overestimated. RegCM4.3 has performed well over India as a whole as well as its four rainfall homogenous zones in reproducing the mean monsoon rainfall and inter-annual variation of rainfall. Further, the monsoon onset, low-level Somali Jet and the upper level tropical easterly jet are better represented in the RegCM4.3 than RegCM4.2. Thus, RegCM4.3 has performed better in simulating the mean summer monsoon circulation over the South Asia. Hence, RegCM4.3 may be used to study the future climate change over the South Asia.

  1. The MIRAB Model of Small Island Economies in the Pacific and their Security Issues: Revised Version

    OpenAIRE

    Tisdell, Clem

    2014-01-01

    The MIRAB model of Pacific island micro-economies was developed in the mid-1980s by the New Zealand economists, Bertram and Watters, and dominated the literature on the economics of small island nations and economies until alternative models were proposed two decades later. Nevertheless, it is still an influential theory. MIRAB is an acronym for migration (MI), remittance (R) and foreign aid (A) and the public bureaucracy (B); the main components of the MIRAB model. The nature of this model i...

  2. Validation of MCNP6 Version 1.0 with the ENDF/B-VII.1 Cross Section Library for Plutonium Metals, Oxides, and Solutions on the High Performance Computing Platform Moonlight

    Energy Technology Data Exchange (ETDEWEB)

    Chapman, Bryan Scott [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Gough, Sean T. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-12-05

    This report documents a validation of the MCNP6 Version 1.0 computer code on the high performance computing platform Moonlight, for operations at Los Alamos National Laboratory (LANL) that involve plutonium metals, oxides, and solutions. The validation is conducted using the ENDF/B-VII.1 continuous energy group cross section library at room temperature. The results are for use by nuclear criticality safety personnel in performing analysis and evaluation of various facility activities involving plutonium materials.

  3. Implementation of methane cycling for deep time, global warming simulations with the DCESS Earth System Model (Version 1.2)

    DEFF Research Database (Denmark)

    Shaffer, Gary; Villanueva, Esteban Fernández; Rondanelli, Roberto

    2017-01-01

    Geological records reveal a number of ancient, large and rapid negative excursions of carbon-13 isotope. Such excursions can only be explained by massive injections of depleted carbon to the Earth System over a short duration. These injections may have forced strong global warming events, sometimes....... With this improved DCESS model version and paleo-reconstructions, we are now better armed to gauge the amounts, types, time scales and locations of methane injections driving specific, observed deep time, global warming events......., or from warming-induced dissociation of methane hydrate, a solid compound of methane and water found in ocean sediments. As a consequence of the ubiquity and importance of methane in major Earth events, Earth System models should include a comprehensive treatment of methane cycling but such a treatment...

  4. Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

    DEFF Research Database (Denmark)

    Tritsaris, G. A.; Rossmeisl, J.

    2012-01-01

    Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....

  5. Quantification of oxide particle composition in model oxide dispersion strengthened steel alloys

    Energy Technology Data Exchange (ETDEWEB)

    London, A.J., E-mail: andrew.london@materials.ox.ac.uk [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Lozano-Perez, S.; Moody, M.P. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom); Amirthapandian, S.; Panigrahi, B.K.; Sundar, C.S. [Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, TN (India); Grovenor, C.R.M. [Department of Materials, University of Oxford, Parks Road, Oxford OX1 3PH (United Kingdom)

    2015-12-15

    Oxide dispersion strengthened ferritic steels (ODS) are being considered for structural components of future designs of fission and fusion reactors because of their impressive high-temperature mechanical properties and resistance to radiation damage, both of which arise from the nanoscale oxide particles they contain. Because of the critical importance of these nanoscale phases, significant research activity has been dedicated to analysing their precise size, shape and composition (Odette et al., Annu. Rev. Mater. Res. 38 (2008) 471–503 [1]; Miller et al., Mater. Sci. Technol. 29(10) (2013) 1174–1178 [2]). As part of a project to develop new fuel cladding alloys in India, model ODS alloys have been produced with the compositions, Fe–0.3Y{sub 2}O{sub 3}, Fe–0.2Ti–0.3Y{sub 2}O{sub 3} and Fe–14Cr–0.2Ti–0.3Y{sub 2}O{sub 3}. The oxide particles in these three model alloys have been studied by APT in their as-received state and following ion irradiation (as a proxy for neutron irradiation) at various temperatures. In order to adequately quantify the composition of the oxide clusters, several difficulties must be managed, including issues relating to the chemical identification (ranging and variable peak-overlaps); trajectory aberrations and chemical structure; and particle sizing. This paper presents how these issues can be addressed by the application of bespoke data analysis tools and correlative microscopy. A discussion follows concerning the achievable precision in these measurements, with reference to the fundamental limiting factors.

  6. Quantification of oxide particle composition in model oxide dispersion strengthened steel alloys.

    Science.gov (United States)

    London, A J; Lozano-Perez, S; Moody, M P; Amirthapandian, S; Panigrahi, B K; Sundar, C S; Grovenor, C R M

    2015-12-01

    Oxide dispersion strengthened ferritic steels (ODS) are being considered for structural components of future designs of fission and fusion reactors because of their impressive high-temperature mechanical properties and resistance to radiation damage, both of which arise from the nanoscale oxide particles they contain. Because of the critical importance of these nanoscale phases, significant research activity has been dedicated to analysing their precise size, shape and composition (Odette et al., Annu. Rev. Mater. Res. 38 (2008) 471-503 [1]; Miller et al., Mater. Sci. Technol. 29(10) (2013) 1174-1178 [2]). As part of a project to develop new fuel cladding alloys in India, model ODS alloys have been produced with the compositions, Fe-0.3Y2O3, Fe-0.2Ti-0.3Y2O3 and Fe-14Cr-0.2Ti-0.3Y2O3. The oxide particles in these three model alloys have been studied by APT in their as-received state and following ion irradiation (as a proxy for neutron irradiation) at various temperatures. In order to adequately quantify the composition of the oxide clusters, several difficulties must be managed, including issues relating to the chemical identification (ranging and variable peak-overlaps); trajectory aberrations and chemical structure; and particle sizing. This paper presents how these issues can be addressed by the application of bespoke data analysis tools and correlative microscopy. A discussion follows concerning the achievable precision in these measurements, with reference to the fundamental limiting factors. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Evaluating four mathematical models for nitrous oxide production by autotrophic ammonia-oxidizing bacteria.

    Science.gov (United States)

    Ni, Bing-Jie; Yuan, Zhiguo; Chandran, Kartik; Vanrolleghem, Peter A; Murthy, Sudhir

    2013-01-01

    There is increasing evidence showing that ammonia-oxidizing bacteria (AOB) are major contributors to N(2)O emissions from wastewater treatment plants (WWTPs). Although the fundamental metabolic pathways for N(2)O production by AOB are now coming to light, the mechanisms responsible for N(2)O production by AOB in WWTP are not fully understood. Mathematical modeling provides a means for testing hypotheses related to mechanisms and triggers for N(2)O emissions in WWTP, and can then also become a tool to support the development of mitigation strategies. This study examined the ability of four mathematical model structures to describe two distinct mechanisms of N(2)O production by AOB. The production mechanisms evaluated are (1) N(2)O as the final product of nitrifier denitrification with NO(2)- as the terminal electron acceptor and (2) N(2)O as a byproduct of incomplete oxidation of hydroxylamine (NH(2)OH) to NO(2)-. The four models were compared based on their ability to predict N(2)O dynamics observed in three mixed culture studies. Short-term batch experimental data were employed to examine model assumptions related to the effects of (1) NH4+ concentration variations, (2) dissolved oxygen (DO) variations, (3) NO(2)- accumulations and (4) NH(2OH as an externally provided substrate. The modeling results demonstrate that all these models can generally describe the NH4+, NO(2)-, and NO(3)- data. However, none of these models were able to reproduce all measured N(2)O data. The results suggest that both the denitrification and NH(2)OH pathways may be involved in N(2)O production and could be kinetically linked by a competition for intracellular reducing equivalents. A unified model capturing both mechanisms and their potential interactions needs to be developed with consideration of physiological complexity. Copyright © 2012 Wiley Periodicals, Inc.

  8. On-the-fly confluence detection for statistical model checking (extended version)

    NARCIS (Netherlands)

    Hartmanns, Arnd; Timmer, Mark

    Statistical model checking is an analysis method that circumvents the state space explosion problem in model-based verification by combining probabilistic simulation with statistical methods that provide clear error bounds. As a simulation-based technique, it can only provide sound results if the

  9. Technical documentation and user's guide for City-County Allocation Model (CCAM). Version 1.0

    International Nuclear Information System (INIS)

    Clark, L.T. Jr.; Scott, M.J.; Hammer, P.

    1986-05-01

    The City-County Allocation Model (CCAM) was developed as part of the Monitored Retrievable Storage (MRS) Program. The CCAM model was designed to allocate population changes forecasted by the MASTER model to specific local communities within commuting distance of the MRS facility. The CCAM model was designed to then forecast the potential changes in demand for key community services such as housing, police protection, and utilities for these communities. The CCAM model uses a flexible on-line data base on demand for community services that is based on a combination of local service levels and state and national service standards. The CCAM model can be used to quickly forecast the potential community service consequence of economic development for local communities anywhere in the country. The remainder of this document is organized as follows. The purpose of this manual is to assist the user in understanding and operating the City-County Allocation Model (CCAM). The annual explains the data sources for the model and code modifications as well as the operational procedures

  10. Comments on a time-dependent version of the linear-quadratic model

    International Nuclear Information System (INIS)

    Tucker, S.L.; Travis, E.L.

    1990-01-01

    The accuracy and interpretation of the 'LQ + time' model are discussed. Evidence is presented, based on data in the literature, that this model does not accurately describe the changes in isoeffect dose occurring with protraction of the overall treatment time during fractionated irradiation of the lung. This lack of fit of the model explains, in part, the surprisingly large values of γ/α that have been derived from experimental lung data. The large apparent time factors for lung suggested by the model are also partly explained by the fact that γT/α, despite having units of dose, actually measures the influence of treatment time on the effect scale, not the dose scale, and is shown to consistently overestimate the change in total dose. The unusually high values of α/β that have been derived for lung using the model are shown to be influenced by the method by which the model was fitted to data. Reanalyses of the data using a more statistically valid regression procedure produce estimates of α/β more typical of those usually cited for lung. Most importantly, published isoeffect data from lung indicate that the true deviation from the linear-quadratic (LQ) model is nonlinear in time, instead of linear, and also depends on other factors such as the effect level and the size of dose per fraction. Thus, the authors do not advocate the use of the 'LQ + time' expression as a general isoeffect model. (author). 32 refs.; 3 figs.; 1 tab

  11. Hydrogen Macro System Model User Guide, Version 1.2.1

    Energy Technology Data Exchange (ETDEWEB)

    Ruth, M.; Diakov, V.; Sa, T.; Goldsby, M.; Genung, K.; Hoseley, R.; Smith, A.; Yuzugullu, E.

    2009-07-01

    The Hydrogen Macro System Model (MSM) is a simulation tool that links existing and emerging hydrogen-related models to perform rapid, cross-cutting analysis. It allows analysis of the economics, primary energy-source requirements, and emissions of hydrogen production and delivery pathways.

  12. Model Package Report: Central Plateau Vadose Zone Geoframework Version 1.0

    Energy Technology Data Exchange (ETDEWEB)

    Springer, Sarah D.

    2018-03-27

    The purpose of the Central Plateau Vadose Zone (CPVZ) Geoframework model (GFM) is to provide a reasonable, consistent, and defensible three-dimensional (3D) representation of the vadose zone beneath the Central Plateau at the Hanford Site to support the Composite Analysis (CA) vadose zone contaminant fate and transport models. The GFM is a 3D representation of the subsurface geologic structure. From this 3D geologic model, exported results in the form of point, surface, and/or volumes are used as inputs to populate and assemble the various numerical model architectures, providing a 3D-layered grid that is consistent with the GFM. The objective of this report is to define the process used to produce a hydrostratigraphic model for the vadose zone beneath the Hanford Site Central Plateau and the corresponding CA domain.

  13. Transgenic Mouse Model for Reducing Oxidative Damage in Bone

    Science.gov (United States)

    Schreurs, Ann-Sofie; Torres, S.; Truong, T.; Moyer, E. L.; Kumar, A.; Tahimic, Candice C. G.; Alwood, J. S.; Limoli, C. L.; Globus, R. K.

    2016-01-01

    Bone loss can occur due to many challenges such age, radiation, microgravity, and Reactive Oxygen Species (ROS) play a critical role in bone resorption by osteoclasts (Bartell et al. 2014). We hypothesize that suppression of excess ROS in skeletal cells, both osteoblasts and osteoclasts, regulates skeletal growth and remodeling. To test our hypothesis, we used transgenic mCAT mice which overexpress the human anti-oxidant catalase gene targeted to the mitochondria, the main site for endogenous ROS production. mCAT mice have a longer life-span than wildtype controls and have been used to study various age-related disorders. To stimulate remodeling, 16 week old mCAT mice or wildtype mice were exposed to treatment (hindlimb-unloading and total body-irradiation) or sham treatment conditions (control). Tissues were harvested 2 weeks later for skeletal analysis (microcomputed tomography), biochemical analysis (gene expression and oxidative damage measurements), and ex vivo bone marrow derived cell culture (osteoblastogenesis and osteoclastogenesis). mCAT mice expressed the transgene and displayed elevated catalase activity in skeletal tissue and marrow-derived osteoblasts and osteoclasts grown ex vivo. In addition, when challenged with treatment, bone tissues from wildtype mice showed elevated levels of malondialdehyde (MDA), indicating oxidative damage) whereas mCAT mice did not. Correlation analysis revealed that increased catalase activity significantly correlated with decreased MDA levels and that increased oxidative damage correlated with decreased percent bone volume (BVTV). In addition, ex-vivo cultured osteoblast colony growth correlated with catalase activity in the osteoblasts. Thus, we showed that these transgenic mice can be used as a model to study the relationship between markers of oxidative damage and skeletal properties. mCAT mice displayed reduced BVTV and trabecular number relative to wildtype mice, as well as increased structural model index in the

  14. Multicomponent mass transport model: theory and numerical implementation (discrete-parcel-random-walk version)

    International Nuclear Information System (INIS)

    Ahlstrom, S.W.; Foote, H.P.; Arnett, R.C.; Cole, C.R.; Serne, R.J.

    1977-05-01

    The Multicomponent Mass Transfer (MMT) Model is a generic computer code, currently in its third generation, that was developed to predict the movement of radiocontaminants in the saturated and unsaturated sediments of the Hanford Site. This model was designed to use the water movement patterns produced by the unsaturated and saturated flow models coupled with dispersion and soil-waste reaction submodels to predict contaminant transport. This report documents the theorical foundation and the numerical solution procedure of the current (third) generation of the MMT Model. The present model simulates mass transport processes using an analog referred to as the Discrete-Parcel-Random-Walk (DPRW) algorithm. The basic concepts of this solution technique are described and the advantages and disadvantages of the DPRW scheme are discussed in relation to more conventional numerical techniques such as the finite-difference and finite-element methods. Verification of the numerical algorithm is demonstrated by comparing model results with known closed-form solutions. A brief error and sensitivity analysis of the algorithm with respect to numerical parameters is also presented. A simulation of the tritium plume beneath the Hanford Site is included to illustrate the use of the model in a typical application. 32 figs

  15. Advanced impedance modeling of solid oxide electrochemical cells

    DEFF Research Database (Denmark)

    Graves, Christopher R.; Hjelm, Johan

    2014-01-01

    Impedance spectroscopy is a powerful technique for detailed study of the electrochemical and transport processes that take place in fuel cells and electrolysis cells, including solid oxide cells (SOCs). Meaningful analysis of impedance measurements is nontrivial, however, because a large number...... techniques to provide good guesses for the modeling parameters, like transforming the impedance data to the distribution of relaxation times (DRT), together with experimental parameter sensitivity studies, is the state-of-the-art approach to achieve good EC model fits. Here we present new impedance modeling...... electrode and 2-D gas transport models which have fewer unknown parameters for the same number of processes, (ii) use of a new model fitting algorithm, “multi-fitting”, in which multiple impedance spectra are fit simultaneously with parameters linked based on the variation of measurement conditions, (iii...

  16. Statistical analysis of fracture data, adapted for modelling Discrete Fracture Networks-Version 2

    Energy Technology Data Exchange (ETDEWEB)

    Munier, Raymond

    2004-04-01

    The report describes the parameters which are necessary for DFN modelling, the way in which they can be extracted from the data base acquired during site investigations, and their assignment to geometrical objects in the geological model. The purpose here is to present a methodology for use in SKB modelling projects. Though the methodology is deliberately tuned to facilitate subsequent DFN modelling with other tools, some of the recommendations presented here are applicable to other aspects of geo-modelling as well. For instance, we here recommend a nomenclature to be used within SKB modelling projects, which are truly multidisciplinary, to ease communications between scientific disciplines and avoid misunderstanding of common concepts. This report originally occurred as an appendix to a strategy report for geological modelling (SKB-R--03-07). Strategy reports were intended to be successively updated to include experience gained during site investigations and site modelling. Rather than updating the entire strategy report, we choose to present the update of the appendix as a stand-alone document. This document thus replaces Appendix A2 in SKB-R--03-07. In short, the update consists of the following: The target audience has been broadened and as a consequence thereof, the purpose of the document. Correction of errors found in various formulae. All expressions have been rewritten. Inclusion of more worked examples in each section. A new section describing area normalisation. A new section on spatial correlation. A new section describing anisotropy. A new chapter describing the expected output from DFN modelling, within SKB projects.

  17. Statistical analysis of fracture data, adapted for modelling Discrete Fracture Networks-Version 2

    International Nuclear Information System (INIS)

    Munier, Raymond

    2004-04-01

    The report describes the parameters which are necessary for DFN modelling, the way in which they can be extracted from the data base acquired during site investigations, and their assignment to geometrical objects in the geological model. The purpose here is to present a methodology for use in SKB modelling projects. Though the methodology is deliberately tuned to facilitate subsequent DFN modelling with other tools, some of the recommendations presented here are applicable to other aspects of geo-modelling as well. For instance, we here recommend a nomenclature to be used within SKB modelling projects, which are truly multidisciplinary, to ease communications between scientific disciplines and avoid misunderstanding of common concepts. This report originally occurred as an appendix to a strategy report for geological modelling (SKB-R--03-07). Strategy reports were intended to be successively updated to include experience gained during site investigations and site modelling. Rather than updating the entire strategy report, we choose to present the update of the appendix as a stand-alone document. This document thus replaces Appendix A2 in SKB-R--03-07. In short, the update consists of the following: The target audience has been broadened and as a consequence thereof, the purpose of the document. Correction of errors found in various formulae. All expressions have been rewritten. Inclusion of more worked examples in each section. A new section describing area normalisation. A new section on spatial correlation. A new section describing anisotropy. A new chapter describing the expected output from DFN modelling, within SKB projects

  18. A Scalable Version of the Navy Operational Global Atmospheric Prediction System Spectral Forecast Model

    Directory of Open Access Journals (Sweden)

    Thomas E. Rosmond

    2000-01-01

    Full Text Available The Navy Operational Global Atmospheric Prediction System (NOGAPS includes a state-of-the-art spectral forecast model similar to models run at several major operational numerical weather prediction (NWP centers around the world. The model, developed by the Naval Research Laboratory (NRL in Monterey, California, has run operational at the Fleet Numerical Meteorological and Oceanographic Center (FNMOC since 1982, and most recently is being run on a Cray C90 in a multi-tasked configuration. Typically the multi-tasked code runs on 10 to 15 processors with overall parallel efficiency of about 90%. resolution is T159L30, but other operational and research applications run at significantly lower resolutions. A scalable NOGAPS forecast model has been developed by NRL in anticipation of a FNMOC C90 replacement in about 2001, as well as for current NOGAPS research requirements to run on DOD High-Performance Computing (HPC scalable systems. The model is designed to run with message passing (MPI. Model design criteria include bit reproducibility for different processor numbers and reasonably efficient performance on fully shared memory, distributed memory, and distributed shared memory systems for a wide range of model resolutions. Results for a wide range of processor numbers, model resolutions, and different vendor architectures are presented. Single node performance has been disappointing on RISC based systems, at least compared to vector processor performance. This is a common complaint, and will require careful re-examination of traditional numerical weather prediction (NWP model software design and data organization to fully exploit future scalable architectures.

  19. Parameterization Improvements and Functional and Structural Advances in Version 4 of the Community Land Model

    Directory of Open Access Journals (Sweden)

    Andrew G. Slater

    2011-05-01

    Full Text Available The Community Land Model is the land component of the Community Climate System Model. Here, we describe a broad set of model improvements and additions that have been provided through the CLM development community to create CLM4. The model is extended with a carbon-nitrogen (CN biogeochemical model that is prognostic with respect to vegetation, litter, and soil carbon and nitrogen states and vegetation phenology. An urban canyon model is added and a transient land cover and land use change (LCLUC capability, including wood harvest, is introduced, enabling study of historic and future LCLUC on energy, water, momentum, carbon, and nitrogen fluxes. The hydrology scheme is modified with a revised numerical solution of the Richards equation and a revised ground evaporation parameterization that accounts for litter and within-canopy stability. The new snow model incorporates the SNow and Ice Aerosol Radiation model (SNICAR - which includes aerosol deposition, grain-size dependent snow aging, and vertically-resolved snowpack heating –– as well as new snow cover and snow burial fraction parameterizations. The thermal and hydrologic properties of organic soil are accounted for and the ground column is extended to ~50-m depth. Several other minor modifications to the land surface types dataset, grass and crop optical properties, atmospheric forcing height, roughness length and displacement height, and the disposition of snow-capped runoff are also incorporated.Taken together, these augmentations to CLM result in improved soil moisture dynamics, drier soils, and stronger soil moisture variability. The new model also exhibits higher snow cover, cooler soil temperatures in organic-rich soils, greater global river discharge, and lower albedos over forests and grasslands, all of which are improvements compared to CLM3.5. When CLM4 is run with CN, the mean biogeophysical simulation is slightly degraded because the vegetation structure is prognostic rather

  20. On a discrete version of the CP 1 sigma model and surfaces immersed in R3

    International Nuclear Information System (INIS)

    Grundland, A M; Levi, D; Martina, L

    2003-01-01

    We present a discretization of the CP 1 sigma model. We show that the discrete CP 1 sigma model is described by a nonlinear partial second-order difference equation with rational nonlinearity. To derive discrete surfaces immersed in three-dimensional Euclidean space a 'complex' lattice is introduced. The so-obtained surfaces are characterized in terms of the quadrilateral cross-ratio of four surface points. In this way we prove that all surfaces associated with the discrete CP 1 sigma model are of constant mean curvature. An explicit example of such discrete surfaces is constructed

  1. The Lightning Nitrogen Oxides Model (LNOM): Status and Recent Applications

    Science.gov (United States)

    Koshak, William; Khan, Maudood; Peterson, Harold

    2011-01-01

    Improvements to the NASA Marshall Space Flight Center Lightning Nitrogen Oxides Model (LNOM) are discussed. Recent results from an August 2006 run of the Community Multiscale Air Quality (CMAQ) modeling system that employs LNOM lightning NOx (= NO + NO2) estimates are provided. The LNOM analyzes Lightning Mapping Array (LMA) data to estimate the raw (i.e., unmixed and otherwise environmentally unmodified) vertical profile of lightning NOx. The latest LNOM estimates of (a) lightning channel length distributions, (b) lightning 1-m segment altitude distributions, and (c) the vertical profile of NOx are presented. The impact of including LNOM-estimates of lightning NOx on CMAQ output is discussed.

  2. Asymptotically exact solution of a local copper-oxide model

    International Nuclear Information System (INIS)

    Zhang Guangming; Yu Lu.

    1994-03-01

    We present an asymptotically exact solution of a local copper-oxide model abstracted from the multi-band models. The phase diagram is obtained through the renormalization-group analysis of the partition function. In the strong coupling regime, we find an exactly solved line, which crosses the quantum critical point of the mixed valence regime separating two different Fermi-liquid (FL) phases. At this critical point, a many-particle resonance is formed near the chemical potential, and a marginal-FL spectrum can be derived for the spin and charge susceptibilities. (author). 15 refs, 1 fig

  3. Technical manual for basic version of the Markov chain nest productivity model (MCnest)

    Science.gov (United States)

    The Markov Chain Nest Productivity Model (or MCnest) integrates existing toxicity information from three standardized avian toxicity tests with information on species life history and the timing of pesticide applications relative to the timing of avian breeding seasons to quantit...

  4. The Cloud Feedback Model Intercomparison Project Observational Simulator Package: Version 2

    Science.gov (United States)

    Swales, Dustin J.; Pincus, Robert; Bodas-Salcedo, Alejandro

    2018-01-01

    The Cloud Feedback Model Intercomparison Project Observational Simulator Package (COSP) gathers together a collection of observation proxies or satellite simulators that translate model-simulated cloud properties to synthetic observations as would be obtained by a range of satellite observing systems. This paper introduces COSP2, an evolution focusing on more explicit and consistent separation between host model, coupling infrastructure, and individual observing proxies. Revisions also enhance flexibility by allowing for model-specific representation of sub-grid-scale cloudiness, provide greater clarity by clearly separating tasks, support greater use of shared code and data including shared inputs across simulators, and follow more uniform software standards to simplify implementation across a wide range of platforms. The complete package including a testing suite is freely available.

  5. The Cloud Feedback Model Intercomparison Project Observational Simulator Package: Version 2

    Directory of Open Access Journals (Sweden)

    D. J. Swales

    2018-01-01

    Full Text Available The Cloud Feedback Model Intercomparison Project Observational Simulator Package (COSP gathers together a collection of observation proxies or satellite simulators that translate model-simulated cloud properties to synthetic observations as would be obtained by a range of satellite observing systems. This paper introduces COSP2, an evolution focusing on more explicit and consistent separation between host model, coupling infrastructure, and individual observing proxies. Revisions also enhance flexibility by allowing for model-specific representation of sub-grid-scale cloudiness, provide greater clarity by clearly separating tasks, support greater use of shared code and data including shared inputs across simulators, and follow more uniform software standards to simplify implementation across a wide range of platforms. The complete package including a testing suite is freely available.

  6. FMCSA safety program effectiveness measurement : carrier intervention effectiveness model, version 1.0 : [analysis brief].

    Science.gov (United States)

    2015-01-01

    The Carrier Intervention Effectiveness Model (CIEM) : provides the Federal Motor Carrier Safety : Administration (FMCSA) with a tool for measuring : the safety benefits of carrier interventions conducted : under the Compliance, Safety, Accountability...

  7. Modeled Radar Attenuation Rate Profile at the Vostok 5G Ice Core Site, Antarctica, Version 1

    Data.gov (United States)

    National Aeronautics and Space Administration — This data set provides a modeled radar attenuation rate profile, showing the predicted contributions from pure ice and impurities to radar attenuation at the Vostok...

  8. User’s manual for basic version of MCnest Markov chain nest productivity model

    Science.gov (United States)

    The Markov Chain Nest Productivity Model (or MCnest) integrates existing toxicity information from three standardized avian toxicity tests with information on species life history and the timing of pesticide applications relative to the timing of avian breeding seasons to quantit...

  9. MAPSS: Mapped Atmosphere-Plant-Soil System Model, Version 1.0

    Data.gov (United States)

    National Aeronautics and Space Administration — ABSTRACT: MAPSS (Mapped Atmosphere-Plant-Soil System) is a landscape to global vegetation distribution model that was developed to simulate the potential biosphere...

  10. MAPSS: Mapped Atmosphere-Plant-Soil System Model, Version 1.0

    Data.gov (United States)

    National Aeronautics and Space Administration — MAPSS (Mapped Atmosphere-Plant-Soil System) is a landscape to global vegetation distribution model that was developed to simulate the potential biosphere impacts and...

  11. Fundamental Studies of Butane Oxidation over Model-Supported Vanadium Oxide Catalysts: Molecular Structure-Reactivity Relationships

    NARCIS (Netherlands)

    Wachs, I.E.; Jehng, J.M.; Deo, G.; Weckhuysen, B.M.; Guliants, V.V.; Benziger, J.B.; Sundaresan, S.

    1997-01-01

    The oxidation of n-butane to maleic anhydride was investigated over a series of model-supported vanadia catalysts where the vanadia phase was present as a two-dimensional metal oxide overlayer on the different oxide supports (TiO2, ZrO2, CeO2, Nb2O5, Al2O3, and SiO2). No correlation was found

  12. Illustrating and homology modeling the proteins of the Zika virus [version 2; referees: 2 approved

    Directory of Open Access Journals (Sweden)

    Sean Ekins

    2016-09-01

    Full Text Available The Zika virus (ZIKV is a flavivirus of the family Flaviviridae, which is similar to dengue virus, yellow fever and West Nile virus. Recent outbreaks in South America, Latin America, the Caribbean and in particular Brazil have led to concern for the spread of the disease and potential to cause Guillain-Barré syndrome and microcephaly. Although ZIKV has been known of for over 60 years there is very little in the way of knowledge of the virus with few publications and no crystal structures. No antivirals have been tested against it either in vitro or in vivo. ZIKV therefore epitomizes a neglected disease. Several suggested steps have been proposed which could be taken to initiate ZIKV antiviral drug discovery using both high throughput screens as well as structure-based design based on homology models for the key proteins. We now describe preliminary homology models created for NS5, FtsJ, NS4B, NS4A, HELICc, DEXDc, peptidase S7, NS2B, NS2A, NS1, E stem, glycoprotein M, propeptide, capsid and glycoprotein E using SWISS-MODEL. Eleven out of 15 models pass our model quality criteria for their further use. While a ZIKV glycoprotein E homology model was initially described in the immature conformation as a trimer, we now describe the mature dimer conformer which allowed the construction of an illustration of the complete virion. By comparing illustrations of ZIKV based on this new homology model and the dengue virus crystal structure we propose potential differences that could be exploited for antiviral and vaccine design. The prediction of sites for glycosylation on this protein may also be useful in this regard. While we await a cryo-EM structure of ZIKV and eventual crystal structures of the individual proteins, these homology models provide the community with a starting point for structure-based design of drugs and vaccines as well as a for computational virtual screening.

  13. Formal Analysis of Functional Behaviour for Model Transformations Based on Triple Graph Grammars - Extended Version

    OpenAIRE

    Hermann, Frank; Ehrig, Hartmut; Orejas, Fernando; Ulrike, Golas

    2010-01-01

    Triple Graph Grammars (TGGs) are a well-established concept for the specification of model transformations. In previous work we have formalized and analyzed already crucial properties of model transformations like termination, correctness and completeness, but functional behaviour - especially local confluence - is missing up to now. In order to close this gap we generate forward translation rules, which extend standard forward rules by translation attributes keeping track of the elements whi...

  14. Code-switched English Pronunciation Modeling for Swahili Spoken Term Detection (Pub Version, Open Access)

    Science.gov (United States)

    2016-05-03

    model (JSM), developed using Sequitur16,17 and trained on the CMUDict0.7b18 Amer- ican English dictionary (over 134k words), was used to detect English ...modeled using the closest Swahili vowel or vowel combination. In both cases these English L2P predictions were added to a dictionary as variants to swa... English queries as a function of overlap/correspondence with an existing reference English pronunciation dictionary . As the reference dictionary , we

  15. Impact of numerical choices on water conservation in the E3SM Atmosphere Model version 1 (EAMv1

    Directory of Open Access Journals (Sweden)

    K. Zhang

    2018-06-01

    Full Text Available The conservation of total water is an important numerical feature for global Earth system models. Even small conservation problems in the water budget can lead to systematic errors in century-long simulations. This study quantifies and reduces various sources of water conservation error in the atmosphere component of the Energy Exascale Earth System Model. Several sources of water conservation error have been identified during the development of the version 1 (V1 model. The largest errors result from the numerical coupling between the resolved dynamics and the parameterized sub-grid physics. A hybrid coupling using different methods for fluid dynamics and tracer transport provides a reduction of water conservation error by a factor of 50 at 1° horizontal resolution as well as consistent improvements at other resolutions. The second largest error source is the use of an overly simplified relationship between the surface moisture flux and latent heat flux at the interface between the host model and the turbulence parameterization. This error can be prevented by applying the same (correct relationship throughout the entire model. Two additional types of conservation error that result from correcting the surface moisture flux and clipping negative water concentrations can be avoided by using mass-conserving fixers. With all four error sources addressed, the water conservation error in the V1 model becomes negligible and insensitive to the horizontal resolution. The associated changes in the long-term statistics of the main atmospheric features are small. A sensitivity analysis is carried out to show that the magnitudes of the conservation errors in early V1 versions decrease strongly with temporal resolution but increase with horizontal resolution. The increased vertical resolution in V1 results in a very thin model layer at the Earth's surface, which amplifies the conservation error associated with the surface moisture flux correction. We note

  16. Oxidative stress of crystalline lens in rat menopausal model.

    Science.gov (United States)

    Acer, Semra; Pekel, Gökhan; Küçükatay, Vural; Karabulut, Aysun; Yağcı, Ramazan; Çetin, Ebru Nevin; Akyer, Şahika Pınar; Şahin, Barbaros

    2016-01-01

    To evaluate lenticular oxidative stress in rat menopausal models. Forty Wistar female albino rats were included in this study. A total of thirty rats underwent oophorectomy to generate a menopausal model. Ten rats that did not undergo oophorectomy formed the control group (Group 1). From the rats that underwent oophorectomy, 10 formed the menopause control group (Group 2), 10 were administered a daily injection of methylprednisolone until the end of the study (Group 3), and the remaining 10 rats were administered intraperitoneal streptozocin to induce diabetes mellitus (Group 4). Total oxidant status (TOS), total antioxidant capacity (TAC), and oxidative stress index (OSI) measurements of the crystalline lenses were analyzed. The mean OSI was the lowest in group 1 and highest in group 4. Nevertheless, the difference between the groups was not statistically significant in terms of OSI (p >0.05). The mean TOS values were similar between the groups (p >0.05), whereas the mean TAC of group 1 was significantly higher than that of the other groups (p <0.001). Our results indicate that menopause may not promote cataract formation.

  17. Oxidative stress of crystalline lens in rat menopausal model

    Directory of Open Access Journals (Sweden)

    Semra Acer

    Full Text Available ABSTRACT Purpose: To evaluate lenticular oxidative stress in rat menopausal models. Methods: Forty Wistar female albino rats were included in this study. A total of thirty rats underwent oophorectomy to generate a menopausal model. Ten rats that did not undergo oophorectomy formed the control group (Group 1. From the rats that underwent oophorectomy, 10 formed the menopause control group (Group 2, 10 were administered a daily injection of methylprednisolone until the end of the study (Group 3, and the remaining 10 rats were administered intraperitoneal streptozocin to induce diabetes mellitus (Group 4. Total oxidant status (TOS, total antioxidant capacity (TAC, and oxidative stress index (OSI measurements of the crystalline lenses were analyzed. Results: The mean OSI was the lowest in group 1 and highest in group 4. Nevertheless, the difference between the groups was not statistically significant in terms of OSI (p >0.05. The mean TOS values were similar between the groups (p >0.05, whereas the mean TAC of group 1 was significantly higher than that of the other groups (p <0.001. Conclusions: Our results indicate that menopause may not promote cataract formation.

  18. Discrete Event System Based Pyroprocessing Modeling and Simulation: Oxide Reduction

    International Nuclear Information System (INIS)

    Lee, H. J.; Ko, W. I.; Choi, S. Y.; Kim, S. K.; Hur, J. M.; Choi, E. Y.; Im, H. S.; Park, K. I.; Kim, I. T.

    2014-01-01

    Dynamic changes according to the batch operation cannot be predicted in an equilibrium material flow. This study began to build a dynamic material balance model based on the previously developed pyroprocessing flowsheet. As a mid- and long-term research, an integrated pyroprocessing simulator is being developed at the Korea Atomic Energy Research Institute (KAERI) to cope with a review on the technical feasibility, safeguards assessment, conceptual design of facility, and economic feasibility evaluation. The most fundamental thing in such a simulator development is to establish the dynamic material flow framework. This study focused on the operation modeling of pyroprocessing to implement a dynamic material flow. As a case study, oxide reduction was investigated in terms of a dynamic material flow. DES based modeling was applied to build a pyroprocessing operation model. A dynamic material flow as the basic framework for an integrated pyroprocessing was successfully implemented through ExtendSim's internal database and item blocks. Complex operation logic behavior was verified, for example, an oxide reduction process in terms of dynamic material flow. Compared to the equilibrium material flow, a model-based dynamic material flow provides such detailed information that a careful analysis of every batch is necessary to confirm the dynamic material balance results. With the default scenario of oxide reduction, the batch mass balance was verified in comparison with a one-year equilibrium mass balance. This study is still under progress with a mid-and long-term goal, the development of a multi-purpose pyroprocessing simulator that is able to cope with safeguards assessment, economic feasibility, technical evaluation, conceptual design, and support of licensing for a future pyroprocessing facility

  19. Modeling and Experimental Studies of Mercury Oxidation and Adsorption in a Fixed-Bed Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Buitrago, Paula A.; Morrill, Mike; Lighty, JoAnn S.; Silcox, Geoffrey D.

    2009-06-15

    This report presents experimental and modeling mercury oxidation and adsorption data. Fixed-bed and single-particle models of mercury adsorption were developed. The experimental data were obtained with two reactors: a 300-W, methane-fired, tubular, quartz-lined reactor for studying homogeneous oxidation reactions and a fixed-bed reactor, also of quartz, for studying heterogeneous reactions. The latter was attached to the exit of the former to provide realistic combustion gases. The fixed-bed reactor contained one gram of coconut-shell carbon and remained at a temperature of 150°C. All methane, air, SO2, and halogen species were introduced through the burner to produce a radical pool representative of real combustion systems. A Tekran 2537A Analyzer coupled with a wet conditioning system provided speciated mercury concentrations. At 150°C and in the absence of HCl or HBr, the mercury uptake was about 20%. The addition of 50 ppm HCl caused complete capture of all elemental and oxidized mercury species. In the absence of halogens, SO2 increased the mercury adsorption efficiency to up to 30 percent. The extent of adsorption decreased with increasing SO2 concentration when halogens were present. Increasing the HCl concentration to 100 ppm lessened the effect of SO2. The fixed-bed model incorporates Langmuir adsorption kinetics and was developed to predict adsorption of elemental mercury and the effect of multiple flue gas components. This model neglects intraparticle diffusional resistances and is only applicable to pulverized carbon sorbents. It roughly describes experimental data from the literature. The current version includes the ability to account for competitive adsorption between mercury, SO2, and NO2. The single particle model simulates in-flight sorbent capture of elemental mercury. This model was developed to include Langmuir and Freundlich isotherms, rate equations, sorbent feed rate, and

  20. A Structural Molar Volume Model for Oxide Melts Part III: Fe Oxide-Containing Melts

    Science.gov (United States)

    Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

    2016-04-01

    As part III of this series, the model is extended to iron oxide-containing melts. All available experimental data in the FeO-Fe2O3-Na2O-K2O-MgO-CaO-MnO-Al2O3-SiO2 system were critically evaluated based on the experimental condition. The variations of FeO and Fe2O3 in the melts were taken into account by using FactSage to calculate the Fe2+/Fe3+ distribution. The molar volume model with unary and binary model parameters can be used to predict the molar volume of the molten oxide of the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-FeO-Fe2O3-Al2O3-SiO2 system in the entire range of compositions, temperatures, and oxygen partial pressures from Fe saturation to 1 atm pressure.

  1. Geological discrete fracture network model for the Olkiluoto site, Eurajoki, Finland. Version 2.0

    International Nuclear Information System (INIS)

    Fox, A.; Forchhammer, K.; Pettersson, A.; La Pointe, P.; Lim, D-H.

    2012-06-01

    This report describes the methods, analyses, and conclusions of the modeling team in the production of the 2010 revision to the geological discrete fracture network (DFN) model for the Olkiluoto Site in Finland. The geological DFN is a statistical model for stochastically simulating rock fractures and minor faults at a scale ranging from approximately 0.05 m to approximately 565m; deformation zones are expressly excluded from the DFN model. The DFN model is presented as a series of tables summarizing probability distributions for several parameters necessary for fracture modeling: fracture orientation, fracture size, fracture intensity, and associated spatial constraints. The geological DFN is built from data collected during site characterization (SC) activities at Olkiluoto, which is selected to function as a final deep geological repository for spent fuel and nuclear waste from the Finnish nuclear power program. Data used in the DFN analyses include fracture maps from surface outcrops and trenches, geological and structural data from cored drillholes, and fracture information collected during the construction of the main tunnels and shafts at the ONKALO laboratory. Unlike the initial geological DFN, which was focused on the vicinity of the ONKALO tunnel, the 2010 revisions present a model parameterization for the entire island. Fracture domains are based on the tectonic subdivisions at the site (northern, central, and southern tectonic units) presented in the Geological Site Model (GSM), and are further subdivided along the intersection of major brittle-ductile zones. The rock volume at Olkiluoto is dominated by three distinct fracture sets: subhorizontally-dipping fractures striking north-northeast and dipping to the east that is subparallel to the mean bedrock foliation direction, a subvertically-dipping fracture set striking roughly north-south, and a subvertically-dipping fracture set striking approximately east-west. The subhorizontally-dipping fractures

  2. Geological discrete fracture network model for the Olkiluoto site, Eurajoki, Finland. Version 2.0

    Energy Technology Data Exchange (ETDEWEB)

    Fox, A.; Forchhammer, K.; Pettersson, A. [Golder Associates AB, Stockholm (Sweden); La Pointe, P.; Lim, D-H. [Golder Associates Inc. (Finland)

    2012-06-15

    This report describes the methods, analyses, and conclusions of the modeling team in the production of the 2010 revision to the geological discrete fracture network (DFN) model for the Olkiluoto Site in Finland. The geological DFN is a statistical model for stochastically simulating rock fractures and minor faults at a scale ranging from approximately 0.05 m to approximately 565m; deformation zones are expressly excluded from the DFN model. The DFN model is presented as a series of tables summarizing probability distributions for several parameters necessary for fracture modeling: fracture orientation, fracture size, fracture intensity, and associated spatial constraints. The geological DFN is built from data collected during site characterization (SC) activities at Olkiluoto, which is selected to function as a final deep geological repository for spent fuel and nuclear waste from the Finnish nuclear power program. Data used in the DFN analyses include fracture maps from surface outcrops and trenches, geological and structural data from cored drillholes, and fracture information collected during the construction of the main tunnels and shafts at the ONKALO laboratory. Unlike the initial geological DFN, which was focused on the vicinity of the ONKALO tunnel, the 2010 revisions present a model parameterization for the entire island. Fracture domains are based on the tectonic subdivisions at the site (northern, central, and southern tectonic units) presented in the Geological Site Model (GSM), and are further subdivided along the intersection of major brittle-ductile zones. The rock volume at Olkiluoto is dominated by three distinct fracture sets: subhorizontally-dipping fractures striking north-northeast and dipping to the east that is subparallel to the mean bedrock foliation direction, a subvertically-dipping fracture set striking roughly north-south, and a subvertically-dipping fracture set striking approximately east-west. The subhorizontally-dipping fractures

  3. Water, Energy, and Biogeochemical Model (WEBMOD), user’s manual, version 1

    Science.gov (United States)

    Webb, Richard M.T.; Parkhurst, David L.

    2017-02-08

    The Water, Energy, and Biogeochemical Model (WEBMOD) uses the framework of the U.S. Geological Survey (USGS) Modular Modeling System to simulate fluxes of water and solutes through watersheds. WEBMOD divides watersheds into model response units (MRU) where fluxes and reactions are simulated for the following eight hillslope reservoir types: canopy; snowpack; ponding on impervious surfaces; O-horizon; two reservoirs in the unsaturated zone, which represent preferential flow and matrix flow; and two reservoirs in the saturated zone, which also represent preferential flow and matrix flow. The reservoir representing ponding on impervious surfaces, currently not functional (2016), will be implemented once the model is applied to urban areas. MRUs discharge to one or more stream reservoirs that flow to the outlet of the watershed. Hydrologic fluxes in the watershed are simulated by modules derived from the USGS Precipitation Runoff Modeling System; the National Weather Service Hydro-17 snow model; and a topography-driven hydrologic model (TOPMODEL). Modifications to the standard TOPMODEL include the addition of heterogeneous vertical infiltration rates; irrigation; lateral and vertical preferential flows through the unsaturated zone; pipe flow draining the saturated zone; gains and losses to regional aquifer systems; and the option to simulate baseflow discharge by using an exponential, parabolic, or linear decrease in transmissivity. PHREEQC, an aqueous geochemical model, is incorporated to simulate chemical reactions as waters evaporate, mix, and react within the various reservoirs of the model. The reactions that can be specified for a reservoir include equilibrium reactions among water; minerals; surfaces; exchangers; and kinetic reactions such as kinetic mineral dissolution or precipitation, biologically mediated reactions, and radioactive decay. WEBMOD also simulates variations in the concentrations of the stable isotopes deuterium and oxygen-18 as a result of

  4. Biosphere-Atmosphere Transfer Scheme (BATS) version le as coupled to the NCAR community climate model. Technical note. [NCAR (National Center for Atmospheric Research)

    Energy Technology Data Exchange (ETDEWEB)

    Dickinson, R.E.; Henderson-Sellers, A.; Kennedy, P.J.

    1993-08-01

    A comprehensive model of land-surface processes has been under development suitable for use with various National Center for Atmospheric Research (NCAR) General Circulation Models (GCMs). Special emphasis has been given to describing properly the role of vegetation in modifying the surface moisture and energy budgets. The result of these efforts has been incorporated into a boundary package, referred to as the Biosphere-Atmosphere Transfer Scheme (BATS). The current frozen version, BATS1e is a piece of software about four thousand lines of code that runs as an offline version or coupled to the Community Climate Model (CCM).

  5. Geological discrete-fracture network model (version 1) for the Olkiluoto site, Finland

    International Nuclear Information System (INIS)

    Fox, A.; Buoro, A.; Dahlbo, K.; Wiren, L.

    2009-10-01

    This report describes the methods, analyses, and conclusions of the modelling team in the production of a discrete-fracture network (DFN) model for the Olkiluoto Site in Finland. The geological DFN is a statistical model for stochastically simulating rock fractures and minor faults at a scale ranging from approximately 0.05 m to approximately 500 m; an upper scale limit is not expressly defined, but the DFN model explicitly excludes structures at deformation-zone scales (∼ 500 m) and larger. The DFN model is presented as a series of tables summarizing probability distributions for several parameters necessary for fracture modelling: fracture orientation, fracture size, fracture intensity, and associated spatial constraints. The geological DFN is built from data collected during site characterization (SC) activities at Olkiluoto, which is currently planned to function as a final deep geological repository for spent fuel and nuclear waste from the Finnish nuclear power program. Data used in the DFN analyses include fracture maps from surface outcrops and trenches (as of July 2007), geological and structural data from cored boreholes (as of July 2007), and fracture information collected during the construction of the main tunnels and shafts at the ONKALO laboratory (January 2008). The modelling results suggest that the rock volume at Olkiluoto surrounding the ONKALO tunnel can be separated into three distinct volumes (fracture domains): an upper block, an intermediate block, and a lower block. The three fracture domains are bounded horizontally and vertically by large deformation zones. Fracture properties, such as fracture orientation and relative orientation set intensity, vary between fracture domains. The rock volume at Olkiluoto is dominated by three distinct fracture sets: subhorizontally-dipping fractures striking north-northeast and dipping to the east, a subvertically-dipping fracture set striking roughly north-south, and a subverticallydipping fracture set

  6. Hydrogeological DFN modelling using structural and hydraulic data from KLX04. Preliminary site description Laxemar subarea - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Follin, Sven [SF GeoLogic AB, Taeby (Sweden); Stigsson, Martin [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden); Svensson, Urban [Computer-aided Fluid Engineering AB, Norrkoeping (Sweden)

    2006-04-15

    SKB is conducting site investigations for a high-level nuclear waste repository in fractured crystalline rocks at two coastal areas in Sweden. The two candidate areas are named Forsmark and Simpevarp. The site characterisation work is divided into two phases, an initial site investigation phase (ISI) and a complete site investigation phase (CSI). The results of the ISI phase are used as a basis for deciding on the subsequent CSI phase. On the basis of the CSI investigations a decision is made as to whether detailed characterisation will be performed (including sinking of a shaft). An integrated component in the site characterisation work is the development of site descriptive models. These comprise basic models in three dimensions with an accompanying text description. Central in the modelling work is the geological model which provides the geometrical context in terms of a model of deformation zones and the less fractured rock mass between the zones. Using the geological and geometrical description models as a basis, descriptive models for other disciplines (surface ecosystems, hydrogeology, hydrogeochemistry, rock mechanics, thermal properties and transport properties) will be developed. Great care is taken to arrive at a general consistency in the description of the various models and assessment of uncertainty and possible needs of alternative models. The main objective of this study is to support the development of a hydrogeological DFN model (Discrete Fracture Network) for the Preliminary Site Description of the Laxemar area on a regional-scale (SDM version L1.2). A more specific objective of this study is to assess the propagation of uncertainties in the geological DFN modelling reported for L1.2 into the groundwater flow modelling. An improved understanding is necessary in order to gain credibility for the Site Description in general and the hydrogeological description in particular. The latter will serve as a basis for describing the present

  7. Hydrogeological DFN modelling using structural and hydraulic data from KLX04. Preliminary site description Laxemar subarea - version 1.2

    International Nuclear Information System (INIS)

    Follin, Sven; Stigsson, Martin; Svensson, Urban

    2006-04-01

    SKB is conducting site investigations for a high-level nuclear waste repository in fractured crystalline rocks at two coastal areas in Sweden. The two candidate areas are named Forsmark and Simpevarp. The site characterisation work is divided into two phases, an initial site investigation phase (ISI) and a complete site investigation phase (CSI). The results of the ISI phase are used as a basis for deciding on the subsequent CSI phase. On the basis of the CSI investigations a decision is made as to whether detailed characterisation will be performed (including sinking of a shaft). An integrated component in the site characterisation work is the development of site descriptive models. These comprise basic models in three dimensions with an accompanying text description. Central in the modelling work is the geological model which provides the geometrical context in terms of a model of deformation zones and the less fractured rock mass between the zones. Using the geological and geometrical description models as a basis, descriptive models for other disciplines (surface ecosystems, hydrogeology, hydrogeochemistry, rock mechanics, thermal properties and transport properties) will be developed. Great care is taken to arrive at a general consistency in the description of the various models and assessment of uncertainty and possible needs of alternative models. The main objective of this study is to support the development of a hydrogeological DFN model (Discrete Fracture Network) for the Preliminary Site Description of the Laxemar area on a regional-scale (SDM version L1.2). A more specific objective of this study is to assess the propagation of uncertainties in the geological DFN modelling reported for L1.2 into the groundwater flow modelling. An improved understanding is necessary in order to gain credibility for the Site Description in general and the hydrogeological description in particular. The latter will serve as a basis for describing the present

  8. The SF-8 Spanish Version for Health-Related Quality of Life Assessment: Psychometric Study with IRT and CFA Models.

    Science.gov (United States)

    Tomás, José M; Galiana, Laura; Fernández, Irene

    2018-03-22

    The aim of current research is to analyze the psychometric properties of the Spanish version of the SF-8, overcoming previous shortcomings. A double line of analyses was used: competitive structural equations models to establish factorial validity, and Item Response theory to analyze item psychometric characteristics and information. 593 people aged 60 years or older, attending long life learning programs at the University were surveyed. Their age ranged from 60 to 92 years old. 67.6% were women. The survey included scales on personality dimensions, attitudes, perceptions, and behaviors related to aging. Competitive confirmatory models pointed out two-factors (physical and mental health) as the best representation of the data: χ2(13) = 72.37 (p < .01); CFI = .99; TLI = .98; RMSEA = .08 (.06, .10). Item 5 was removed because of unreliability and cross-loading. Graded response models showed appropriate fit for two-parameter logistic model both the physical and the mental dimensions. Item Information Curves and Test Information Functions pointed out that the SF-8 was more informative for low levels of health. The Spanish SF-8 has adequate psychometric properties, being better represented by two dimensions, once Item 5 is removed. Gathering evidence on patient-reported outcome measures is of crucial importance, as this type of measurement instruments are increasingly used in clinical arena.

  9. SITE-94. The CRYSTAL Geosphere Transport Model: Technical documentation version 2.1

    International Nuclear Information System (INIS)

    Worgan, K.; Robinson, P.

    1995-12-01

    CRYSTAL, a one-dimensional contaminant transport model of a densely fissured geosphere, was originally developed for the SKI Project-90 performance assessment program. It has since been extended to include matrix blocks of alternative basic geometries. CRYSTAL predicts the transport of arbitrary-length decay chains by advection, diffusion and surface sorption in the fissures and diffusion into the rock matrix blocks. The model equations are solved in Laplace transform space, and inverted numerically to the time domain. This approach avoids time-stepping and consequently is numerically very efficient. The source term for crystal may be supplied internally using either simple leaching or band release submodels or by input of a general time-series output from a near-field model. The time series input is interfaced with the geosphere model using the method of convolution. The response of the geosphere to delta-function inputs from each nuclide is combined with the time series outputs from the near-field, to obtain the nuclide flux emerging from the far-field. 14 refs

  10. User's Manual MCnest - Markov Chain Nest Productivity Model Version 2.0

    Science.gov (United States)

    The Markov chain nest productivity model, or MCnest, is a set of algorithms for integrating the results of avian toxicity tests with reproductive life-history data to project the relative magnitude of chemical effects on avian reproduction. The mathematical foundation of MCnest i...

  11. A Functional Model of Sensemaking in a Neurocognitive Architecture (Open Access, Publisher’s Version)

    Science.gov (United States)

    2013-07-08

    updating processes involved in sensemaking. We do this by developing ACT-R models to specify how ele- mentary cognitive modules and processes are marshaled ...13] M. I. Posner, R. Goldsmith , and K. E. Welton Jr., “Perceived distance and the classification of distorted patterns,” Journal of Experimental

  12. Landfill Gas Energy Cost Model Version 3.0 (LFGcost-Web V3.0)

    Science.gov (United States)

    To help stakeholders estimate the costs of a landfill gas (LFG) energy project, in 2002, LMOP developed a cost tool (LFGcost). Since then, LMOP has routinely updated the tool to reflect changes in the LFG energy industry. Initially the model was designed for EPA to assist landfil...

  13. LANDFILL GAS EMISSIONS MODEL (LANDGEM) VERSION 3.02 USER'S GUIDE

    Science.gov (United States)

    The Landfill Gas Emissions Model (LandGEM) is an automated estimation tool with a Microsoft Excel interface that can be used to estimate emission rates for total landfill gas, methane, carbon dioxide, nonmethane organic compounds, and individual air pollutants from municipal soli...

  14. Unit testing, model validation, and biological simulation [version 1; referees: 2 approved, 1 approved with reservations

    Directory of Open Access Journals (Sweden)

    Gopal P. Sarma

    2016-08-01

    Full Text Available The growth of the software industry has gone hand in hand with the development of tools and cultural practices for ensuring the reliability of complex pieces of software. These tools and practices are now acknowledged to be essential to the management of modern software. As computational models and methods have become increasingly common in the biological sciences, it is important to examine how these practices can accelerate biological software development and improve research quality. In this article, we give a focused case study of our experience with the practices of unit testing and test-driven development in OpenWorm, an open-science project aimed at modeling Caenorhabditis elegans. We identify and discuss the challenges of incorporating test-driven development into a heterogeneous, data-driven project, as well as the role of model validation tests, a category of tests unique to software which expresses scientific models.

  15. The GRASP 3: Graphical Reliability Analysis Simulation Program. Version 3: A users' manual and modelling guide

    Science.gov (United States)

    Phillips, D. T.; Manseur, B.; Foster, J. W.

    1982-01-01

    Alternate definitions of system failure create complex analysis for which analytic solutions are available only for simple, special cases. The GRASP methodology is a computer simulation approach for solving all classes of problems in which both failure and repair events are modeled according to the probability laws of the individual components of the system.

  16. Preliminary site description: Groundwater flow simulations. Simpevarp area (version 1.1) modelled with CONNECTFLOW

    International Nuclear Information System (INIS)

    Hartley, Lee; Worth, David; Gylling, Bjoern; Marsic, Niko; Holmen, Johan

    2004-08-01

    The main objective of this study is to assess the role of known and unknown hydrogeological conditions for the present-day distribution of saline groundwater at the Simpevarp and Laxemar sites. An improved understanding of the paleo-hydrogeology is necessary in order to gain credibility for the Site Descriptive Model in general and the Site Hydrogeological Description in particular. This is to serve as a basis for describing the present hydrogeological conditions as well as predictions of future hydrogeological conditions. This objective implies a testing of: geometrical alternatives in the structural geology and bedrock fracturing, variants in the initial and boundary conditions, and parameter uncertainties (i.e. uncertainties in the hydraulic property assignment). This testing is necessary in order to evaluate the impact on the groundwater flow field of the specified components and to promote proposals of further investigations of the hydrogeological conditions at the site. The general methodology for modelling transient salt transport and groundwater flow using CONNECTFLOW that was developed for Forsmark has been applied successfully also for Simpevarp. Because of time constraints only a key set of variants were performed that focussed on the influences of DFN model parameters, the kinematic porosity, and the initial condition. Salinity data in deep boreholes available at the time of the project was too limited to allow a good calibration exercise. However, the model predictions are compared with the available data from KLX01 and KLX02 below. Once more salinity data is available it may be possible to draw more definite conclusions based on the differences between variants. At the moment though the differences should just be used understand the sensitivity of the models to various input parameters

  17. LG Solid Oxide Fuel Cell (SOFC) Model Development

    Energy Technology Data Exchange (ETDEWEB)

    Haberman, Ben [LG Fuel Cell Systems Inc., North Canton, OH (United States); Martinez-Baca, Carlos [LG Fuel Cell Systems Inc., North Canton, OH (United States); Rush, Greg [LG Fuel Cell Systems Inc., North Canton, OH (United States)

    2013-05-31

    This report presents a summary of the work performed by LG Fuel Cell Systems Inc. during the project LG Solid Oxide Fuel Cell (SOFC) Model Development (DOE Award Number: DE-FE0000773) which commenced on October 1, 2009 and was completed on March 31, 2013. The aim of this project is for LG Fuel Cell Systems Inc. (formerly known as Rolls-Royce Fuel Cell Systems (US) Inc.) (LGFCS) to develop a multi-physics solid oxide fuel cell (SOFC) computer code (MPC) for performance calculations of the LGFCS fuel cell structure to support fuel cell product design and development. A summary of the initial stages of the project is provided which describes the MPC requirements that were developed and the selection of a candidate code, STAR-CCM+ (CD-adapco). This is followed by a detailed description of the subsequent work program including code enhancement and model verification and validation activities. Details of the code enhancements that were implemented to facilitate MPC SOFC simulations are provided along with a description of the models that were built using the MPC and validated against experimental data. The modeling work described in this report represents a level of calculation detail that has not been previously available within LGFCS.

  18. Business models for renewable energy in the built environment. Updated version

    Energy Technology Data Exchange (ETDEWEB)

    Wuertenberger, L.; Menkveld, M.; Vethman, P.; Van Tilburg, X. [ECN Policy Studies, Amsterdam (Netherlands); Bleyl, J.W. [Energetic Solutions, Graz (Austria)

    2012-04-15

    The project RE-BIZZ aims to provide insight to policy makers and market actors in the way new and innovative business models (and/or policy measures) can stimulate the deployment of renewable energy technologies (RET) and energy efficiency (EE) measures in the built environment. The project is initiated and funded by the IEA Implementing Agreement for Renewable Energy Technology Deployment (IEA-RETD). It analysed ten business models in three categories (amongst others different types of Energy Service Companies (ESCOs), Developing properties certified with a 'green' building label, Building owners profiting from rent increases after EE measures, Property Assessed Clean Energy (PACE) financing, On-bill financing, and Leasing of RET equipment) including their organisational and financial structure, the existing market and policy context, and an analysis of Strengths, Weaknesses, Opportunities and Threats (SWOT). The study concludes with recommendations for policy makers and other market actors.

  19. Updates to the Demographic and Spatial Allocation Models to Produce Integrated Climate and Land Use Scenarios (ICLUS) (Version 2) (External Review Draft)

    Science.gov (United States)

    EPA announced the availability of the draft report, Updates to the Demographic and Spatial Allocation Models to Produce Integrated Climate and Land Use Scenarios (ICLUS) for a 30-day public comment period. The ICLUS version 2 (v2) modeling tool furthered land change mod...

  20. The Everglades Depth Estimation Network (EDEN) surface-water model, version 2

    Science.gov (United States)

    Telis, Pamela A.; Xie, Zhixiao; Liu, Zhongwei; Li, Yingru; Conrads, Paul

    2015-01-01

    The Everglades Depth Estimation Network (EDEN) is an integrated network of water-level gages, interpolation models that generate daily water-level and water-depth data, and applications that compute derived hydrologic data across the freshwater part of the greater Everglades landscape. The U.S. Geological Survey Greater Everglades Priority Ecosystems Science provides support for EDEN in order for EDEN to provide quality-assured monitoring data for the U.S. Army Corps of Engineers Comprehensive Everglades Restoration Plan.

  1. Ion temperature in the outer ionosphere - first version of a global empirical model

    Czech Academy of Sciences Publication Activity Database

    Třísková, Ludmila; Truhlík, Vladimír; Šmilauer, Jan; Smirnova, N. F.

    2004-01-01

    Roč. 34, č. 9 (2004), s. 1998-2003 ISSN 0273-1177 R&D Projects: GA ČR GP205/02/P037; GA AV ČR IAA3042201; GA MŠk ME 651 Institutional research plan: CEZ:AV0Z3042911 Keywords : plasma temperatures * topside ionosphere * empirical models Subject RIV: DG - Athmosphere Sciences, Meteorology Impact factor: 0.548, year: 2004

  2. Air Force Systems Engineering Assessment Model (AF SEAM) Management Guide, Version 2

    Science.gov (United States)

    2010-09-21

    gleaned from experienced professionals who assisted with the model’s development. Examples of the references used include the following: • ISO /IEC...Defense Acquisition Guidebook, Chapter 4 • AFI 63-1201, Life Cycle Systems Engineering • IEEE/EIA 12207 , Software Life Cycle Processes • Air...Selection criteria Reference Material: IEEE/EIA 12207 , MIL-HDBK-514 Other Considerations: Modeling, simulation and analysis techniques can be

  3. Modelling turbulent vertical mixing sensitivity using a 1-D version of NEMO

    Science.gov (United States)

    Reffray, G.; Bourdalle-Badie, R.; Calone, C.

    2015-01-01

    Through two numerical experiments, a 1-D vertical model called NEMO1D was used to investigate physical and numerical turbulent-mixing behaviour. The results show that all the turbulent closures tested (k+l from Blanke and Delecluse, 1993, and two equation models: generic length scale closures from Umlauf and Burchard, 2003) are able to correctly reproduce the classical test of Kato and Phillips (1969) under favourable numerical conditions while some solutions may diverge depending on the degradation of the spatial and time discretization. The performances of turbulence models were then compared with data measured over a 1-year period (mid-2010 to mid-2011) at the PAPA station, located in the North Pacific Ocean. The modelled temperature and salinity were in good agreement with the observations, with a maximum temperature error between -2 and 2 °C during the stratified period (June to October). However, the results also depend on the numerical conditions. The vertical RMSE varied, for different turbulent closures, from 0.1 to 0.3 °C during the stratified period and from 0.03 to 0.15 °C during the homogeneous period. This 1-D configuration at the PAPA station (called PAPA1D) is now available in NEMO as a reference configuration including the input files and atmospheric forcing set described in this paper. Thus, all the results described can be recovered by downloading and launching PAPA1D. The configuration is described on the NEMO site (PAPA">http://www.nemo-ocean.eu/Using-NEMO/Configurations/C1D_PAPA). This package is a good starting point for further investigation of vertical processes.

  4. Software Design Description for the Navy Coastal Ocean Model (NCOM) Version 4.0

    Science.gov (United States)

    2008-12-31

    Recipes Software, U.S., p. 659. Rood, R. B., (1987). Numerical advection algorithms and their role in atmospheric transport and chemistry models... cstr ,lenc) Data Declaration: Integer lenc Character cstr Coamps_uvg2uv Subroutine COAMPS_UVG2UV...are removed from the substrings. Calling Sequence: strpars(cline, cdelim, nstr, cstr , nsto, ierr) NRL/MR/7320--08-9149

  5. The Canadian Defence Input-Output Model DIO Version 4.41

    Science.gov (United States)

    2011-09-01

    Request to develop DND tailored Input/Output Model. Electronic communication from AllenWeldon to Team Leader, Defence Economics Team onMarch 12, 2011...and similar contain- ers 166 1440 Handbags, wallets and similar personal articles such as eyeglass and cigar cases and coin purses 167 1450 Cotton yarn...408 3600 Radar and radio navigation equipment 409 3619 Semi-conductors 410 3621 Printed circuits 411 3622 Integrated circuits 412 3623 Other electronic

  6. Regional groundwater flow model for a glaciation scenario. Simpevarp subarea - version 1.2

    International Nuclear Information System (INIS)

    Jaquet, O.; Siegel, P.

    2006-10-01

    A groundwater flow model (glaciation model) was developed at a regional scale in order to study long term transient effects related to a glaciation scenario likely to occur in response to climatic changes. Conceptually the glaciation model was based on the regional model of Simpevarp and was then extended to a mega-regional scale (of several hundred kilometres) in order to account for the effects of the ice sheet. These effects were modelled using transient boundary conditions provided by a dynamic ice sheet model describing the phases of glacial build-up, glacial completeness and glacial retreat needed for the glaciation scenario. The results demonstrate the strong impact of the ice sheet on the flow field, in particular during the phases of the build-up and the retreat of the ice sheet. These phases last for several thousand years and may cause large amounts of melt water to reach the level of the repository and below. The highest fluxes of melt water are located in the vicinity of the ice margin. As the ice sheet approaches the repository location, the advective effects gain dominance over diffusive effects in the flow field. In particular, up-coning effects are likely to occur at the margin of the ice sheet leading to potential increases in salinity at repository level. For the base case, the entire salinity field of the model is almost completely flushed out at the end of the glaciation period. The flow patterns are strongly governed by the location of the conductive features in the subglacial layer. The influence of these glacial features is essential for the salinity distribution as is their impact on the flow trajectories and, therefore, on the resulting performance measures. Travel times and F-factor were calculated using the method of particle tracking. Glacial effects cause major consequences on the results. In particular, average travel times from the repository to the surface are below 10 a during phases of glacial build-up and retreat. In comparison

  7. Regional groundwater flow model for a glaciation scenario. Simpevarp subarea - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Jaquet, O.; Siegel, P. [Colenco Power Engineering Ltd, Baden-Daettwil (Switzerland)

    2006-10-15

    A groundwater flow model (glaciation model) was developed at a regional scale in order to study long term transient effects related to a glaciation scenario likely to occur in response to climatic changes. Conceptually the glaciation model was based on the regional model of Simpevarp and was then extended to a mega-regional scale (of several hundred kilometres) in order to account for the effects of the ice sheet. These effects were modelled using transient boundary conditions provided by a dynamic ice sheet model describing the phases of glacial build-up, glacial completeness and glacial retreat needed for the glaciation scenario. The results demonstrate the strong impact of the ice sheet on the flow field, in particular during the phases of the build-up and the retreat of the ice sheet. These phases last for several thousand years and may cause large amounts of melt water to reach the level of the repository and below. The highest fluxes of melt water are located in the vicinity of the ice margin. As the ice sheet approaches the repository location, the advective effects gain dominance over diffusive effects in the flow field. In particular, up-coning effects are likely to occur at the margin of the ice sheet leading to potential increases in salinity at repository level. For the base case, the entire salinity field of the model is almost completely flushed out at the end of the glaciation period. The flow patterns are strongly governed by the location of the conductive features in the subglacial layer. The influence of these glacial features is essential for the salinity distribution as is their impact on the flow trajectories and, therefore, on the resulting performance measures. Travel times and F-factor were calculated using the method of particle tracking. Glacial effects cause major consequences on the results. In particular, average travel times from the repository to the surface are below 10 a during phases of glacial build-up and retreat. In comparison

  8. CHROMAT trademark Version 1.1--Soil Chromium Attenuation Evaluation Model

    International Nuclear Information System (INIS)

    Felmy, A.R.; Rai, D.; Zachara, J.M.; Thapa, M.; Gold, M.

    1992-07-01

    This document is the user's manual and technical reference for the Soil Chromium Attenuation Model (CHROMAT trademark), a computer code designed to calculate both the dissolved Cr concentration and the amount of Cr attenuated in soils as a result of the geochemical reactions that occur as Cr-containing leachates migrate through porous soils. The dissolved Cr concentration and the amount of Cr attenuated are calculated using thermodynamic (mechanistic) data for aqueous complexation reactions, adsorption/ desorption reactions, and precipitation/dissolution reactions involving both CR(III) and Cr(VI) species. Use of this mechanistic approach means that CHROMAT trademark requires a minimum amount of site-specific data on leachate and soil characteristics. CHROMAT trademark is distributed in executable form for IBM and IBM-compatible personal computers through a license from the Electric Power Research Institute (EPRI). The user interacts with CHROMAT trademark using menu-driven screen displays. Interactive on-line help options are available. Output from the code can be obtained in tabular or graphic form. This manual describes the development of CHROMAT trademark, including experimental data development in support of the model and model validation studies. The thermodynamic data and computational algorithm are also described. Example problems and results are included

  9. Two modified versions of the speciation code PHREEQE for modelling macromolecule-proton/cation interaction

    International Nuclear Information System (INIS)

    Falck, W.E.

    1991-01-01

    There is a growing need to consider the influence of organic macromolecules on the speciation of ions in natural waters. It is recognized that a simple discrete ligand approach to the binding of protons/cations to organic macromolecules is not appropriate to represent heterogeneities of binding site distributions. A more realistic approach has been incorporated into the speciation code PHREEQE which retains the discrete ligand approach but modifies the binding intensities using an electrostatic (surface complexation) model. To allow for different conformations of natural organic material two alternative concepts have been incorporated: it is assumed that (a) the organic molecules form rigid, impenetrable spheres, and (b) the organic molecules form flat surfaces. The former concept will be more appropriate for molecules in the smaller size range, while the latter will be more representative for larger size molecules or organic surface coatings. The theoretical concept is discussed and the relevant changes to the standard PHREEQE code are explained. The modified codes are called PHREEQEO-RS and PHREEQEO-FS for the rigid-sphere and flat-surface models respectively. Improved output facilities for data transfer to other computers, e.g. the Macintosh, are introduced. Examples where the model is tested against literature data are shown and practical problems are discussed. Appendices contain listings of the modified subroutines GAMMA and PTOT, an example input file and an example command procedure to run the codes on VAX computers

  10. Refinement and evaluation of the Massachusetts firm-yield estimator model version 2.0

    Science.gov (United States)

    Levin, Sara B.; Archfield, Stacey A.; Massey, Andrew J.

    2011-01-01

    The firm yield is the maximum average daily withdrawal that can be extracted from a reservoir without risk of failure during an extended drought period. Previously developed procedures for determining the firm yield of a reservoir were refined and applied to 38 reservoir systems in Massachusetts, including 25 single- and multiple-reservoir systems that were examined during previous studies and 13 additional reservoir systems. Changes to the firm-yield model include refinements to the simulation methods and input data, as well as the addition of several scenario-testing capabilities. The simulation procedure was adapted to run at a daily time step over a 44-year simulation period, and daily streamflow and meteorological data were compiled for all the reservoirs for input to the model. Another change to the model-simulation methods is the adjustment of the scaling factor used in estimating groundwater contributions to the reservoir. The scaling factor is used to convert the daily groundwater-flow rate into a volume by multiplying the rate by the length of reservoir shoreline that is hydrologically connected to the aquifer. Previous firm-yield analyses used a constant scaling factor that was estimated from the reservoir surface area at full pool. The use of a constant scaling factor caused groundwater flows during periods when the reservoir stage was very low to be overestimated. The constant groundwater scaling factor used in previous analyses was replaced with a variable scaling factor that is based on daily reservoir stage. This change reduced instability in the groundwater-flow algorithms and produced more realistic groundwater-flow contributions during periods of low storage. Uncertainty in the firm-yield model arises from many sources, including errors in input data. The sensitivity of the model to uncertainty in streamflow input data and uncertainty in the stage-storage relation was examined. A series of Monte Carlo simulations were performed on 22 reservoirs

  11. Magnetism-tuning strategies for graphene oxide based on magnetic oligoacene oxide patches model.

    Science.gov (United States)

    Wen, Yanjie; Yen, Chia-Liang; Yan, Linyin; Kono, Hirohiko; Lin, Sheng-Hsien; Ling, Yong-Chien

    2018-01-31

    Graphene oxide (GO) has wide application potential owing to its 2D structure and diverse modification sites for various targeted uses. The introduction of magnetism into GO structures has further advanced the controllability of the application of GO materials. Herein, the concept of modular design and modeling was applied to tune the magnetism of GO. To obtain desirable magnetic properties, diradical-structured GO patches were formed by the introduction of two functional groups to break the Kekule structure of the benzene ring. In these diradical GO patches, the energy of the triplet state was lower than those of the open-shell broken-symmetry singlet state and closed-shell singlet state. To create such multi-radical patches, a practical approach is to determine a substantial spatial separation of the α and β spin densities in the molecule. Thus, systematic design strategies and tests were evaluated. The first strategy was extending the distance between the distribution center of the α and β spin densities; the second was controlling the delocalization directions of the α and β electrons; the third was controlling the delocalization extension of the α and β electrons by oxidative modification, and finally introducing multi-radical structures into the molecular system and controlling the position of each radical. Herein, successful molecular models with a large magnetic coupling constant (∼3600 cm -1 ) were obtained. This study paves the way to explore ferromagnetic MGO guided by theoretical study, which may become reality soon.

  12. Regional hydrogeological simulations. Numerical modelling using ConnectFlow. Preliminary site description Simpevarp sub area - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Hartley, Lee; Hoch, Andrew; Hunter, Fiona; Jackson, Peter [Serco Assurance, Risley (United Kingdom); Marsic, Niko [Kemakta Konsult, Stockholm (Sweden)

    2005-02-01

    objective of this study is to support the development of a preliminary Site Description of the Simpevarp area on a regional-scale based on the available data of August 2004 (Data Freeze S1.2) and the previous Site Description. A more specific objective of this study is to assess the role of known and unknown hydrogeological conditions for the present-day distribution of saline groundwater in the Simpevarp area on a regional-scale. An improved understanding of the paleo-hydrogeology is necessary in order to gain credibility for the Site Description in general and the hydrogeological description in particular. This is to serve as a basis for describing the present hydrogeological conditions on a local-scale as well as predictions of future hydrogeological conditions. Other key objectives were to identify the model domain required to simulate regional flow and solute transport at the Simpevarp area and to incorporate a new geological model of the deformation zones produced for Version S1.2.Another difference with Version S1.1 is the increased effort invested in conditioning the hydrogeological property models to the fracture boremap and hydraulic data. A new methodology was developed for interpreting the discrete fracture network (DFN) by integrating the geological description of the DFN (GeoDFN) with the hydraulic test data from Posiva Flow-Log and Pipe-String System double-packer techniques to produce a conditioned Hydro-DFN model. This was done in a systematic way that addressed uncertainties associated with the assumptions made in interpreting the data, such as the relationship between fracture transmissivity and length. Consistent hydraulic data was only available for three boreholes, and therefore only relatively simplistic models were proposed as there isn't sufficient data to justify extrapolating the DFN away from the boreholes based on rock domain, for example. Significantly, a far greater quantity of hydro-geochemical data was available for calibration in the

  13. The operational eEMEP model version 10.4 for volcanic SO2 and ash forecasting

    Science.gov (United States)

    Steensen, Birthe M.; Schulz, Michael; Wind, Peter; Valdebenito, Álvaro M.; Fagerli, Hilde

    2017-05-01

    This paper presents a new version of the EMEP MSC-W model called eEMEP developed for transportation and dispersion of volcanic emissions, both gases and ash. EMEP MSC-W is usually applied to study problems with air pollution and aerosol transport and requires some adaptation to treat volcanic eruption sources and effluent dispersion. The operational set-up of model simulations in case of a volcanic eruption is described. Important choices have to be made to achieve CPU efficiency so that emergency situations can be tackled in time, answering relevant questions of ash advisory authorities. An efficient model needs to balance the complexity of the model and resolution. We have investigated here a meteorological uncertainty component of the volcanic cloud forecast by using a consistent ensemble meteorological dataset (GLAMEPS forecast) at three resolutions for the case of SO2 emissions from the 2014 Barðarbunga eruption. The low resolution (40 × 40 km) ensemble members show larger agreement in plume position and intensity, suggesting that the ensemble here does not give much added value. To compare the dispersion at different resolutions, we compute the area where the column load of the volcanic tracer, here SO2, is above a certain threshold, varied for testing purposes between 0.25 and 50 Dobson units. The increased numerical diffusion causes a larger area (+34 %) to be covered by the volcanic tracer in the low resolution simulations than in the high resolution ones. The higher resolution (10 × 10 km) ensemble members show higher column loads farther away from the volcanic eruption site in narrower clouds. Cloud positions are more varied between the high resolution members, and the cloud forms resemble the observed clouds more than the low resolution ones. For a volcanic emergency case this means that to obtain quickly results of the transport of volcanic emissions, an individual simulation with our low resolution is sufficient; however, to forecast peak

  14. User's guide to revised method-of-characteristics solute-transport model (MOC--version 31)

    Science.gov (United States)

    Konikow, Leonard F.; Granato, G.E.; Hornberger, G.Z.

    1994-01-01

    The U.S. Geological Survey computer model to simulate two-dimensional solute transport and dispersion in ground water (Konikow and Bredehoeft, 1978; Goode and Konikow, 1989) has been modified to improve management of input and output data and to provide progressive run-time information. All opening and closing of files are now done automatically by the program. Names of input data files are entered either interactively or using a batch-mode script file. Names of output files, created automatically by the program, are based on the name of the input file. In the interactive mode, messages are written to the screen during execution to allow the user to monitor the status and progress of the simulation and to anticipate total running time. Information reported and updated during a simulation include the current pumping period and time step, number of particle moves, and percentage completion of the current time step. The batch mode enables a user to run a series of simulations consecutively, without additional control. A report of the model's activity in the batch mode is written to a separate output file, allowing later review. The user has several options for creating separate output files for different types of data. The formats are compatible with many commercially available applications, which facilitates graphical postprocessing of model results. Geohydrology and Evaluation of Stream-Aquifer Relations in the Apalachicola-Chattahoochee-Flint River Basin, Southeastern Alabama, Northwestern Florida, and Southwestern Georgia By Lynn J. Torak, Gary S. Davis, George A. Strain, and Jennifer G. Herndon Abstract The lower Apalachieola-Chattahoochec-Flint River Basin is underlain by Coastal Plain sediments of pre-Cretaceous to Quaternary age consisting of alternating units of sand, clay, sandstone, dolomite, and limestone that gradually thicken and dip gently to the southeast. The stream-aquifer system consism of carbonate (limestone and dolomite) and elastic sediments

  15. The chemical energy unit partial oxidation reactor operation simulation modeling

    Science.gov (United States)

    Mrakin, A. N.; Selivanov, A. A.; Batrakov, P. A.; Sotnikov, D. G.

    2018-01-01

    The chemical energy unit scheme for synthesis gas, electric and heat energy production which is possible to be used both for the chemical industry on-site facilities and under field conditions is represented in the paper. The partial oxidation reactor gasification process mathematical model is described and reaction products composition and temperature determining algorithm flow diagram is shown. The developed software product verification showed good convergence of the experimental values and calculations according to the other programmes: the temperature determining relative discrepancy amounted from 4 to 5 %, while the absolute composition discrepancy ranged from 1 to 3%. The synthesis gas composition was found out practically not to depend on the supplied into the partial oxidation reactor (POR) water vapour enthalpy and compressor air pressure increase ratio. Moreover, air consumption coefficient α increase from 0.7 to 0.9 was found out to decrease synthesis gas target components (carbon and hydrogen oxides) specific yield by nearly 2 times and synthesis gas target components required ratio was revealed to be seen in the water vapour specific consumption area (from 5 to 6 kg/kg of fuel).

  16. RadCon: A radiological consequences model. Technical guide - Version 2.0

    International Nuclear Information System (INIS)

    Crawford, J; Domel, R.U.; Harris, F.F.; Twining, J.R.

    2000-05-01

    A Radiological Consequence model (RadCon) is being developed at ANSTO to assess the radiological consequences, after an incident, in any climate, using appropriate meteorological and radiological transfer parameters. The major areas of interest to the developers are tropical and subtropical climates. This is particularly so given that it is anticipated that nuclear energy will become a mainstay for economies in these regions within the foreseeable future. Therefore, data acquisition and use of parameter values have been concentrated primarily on these climate types. Atmospheric dispersion and deposition for Australia can be modelled and supplied by the Regional Specialised Meteorological Centre (RSMC, one of five in the world) which is part of the Bureau of Meteorology Research Centre (BMRC), Puri et al. (1992). RadCon combines these data (i.e. the time dependent air and ground concentration generated by the dispersion model or measured quantities in the case of an actual incident) with specific regional parameter values to determine the dose to people via the major pathways of external and internal irradiation. For the external irradiation calculations, data are needed on lifestyle information such as the time spent indoors/outdoors, the high/low physical activity rates for different groups of people (especially critical groups) and shielding factors for housing types. For the internal irradiation calculations, data are needed on food consumption, effect of food processing, transfer parameters (soil to plant, plant to animal) and interception values appropriate for the region under study. Where the relevant data are not available default temperate data are currently used. The results of a wide ranging literature search has highlighted where specific research will be initiated to determine the information required for tropical and sub-tropical regions. The user is able to initiate sensitivity analyses within RadCon. This allows the parameters to be ranked in

  17. Dayton Aircraft Cabin Fire Model, Version 3, Volume I. Physical Description.

    Science.gov (United States)

    1982-06-01

    contact to any surface directly above a burning element, provided that the current flame length makes contact possible. For fires originating on the...no extension of the flames horizontally beneath the surface is considered. The equation for computing the flame length is presented in Section 5. For...high as 0.3. The values chosen for DACFIR3 are 0.15 for Ec and 0.10 for E P. The Steward model is also used to compute flame length , hf, for the fire

  18. ITS Version 3.0: Powerful, user-friendly software for radiation modelling

    International Nuclear Information System (INIS)

    Kensek, R.P.; Halbleib, J.A.; Valdez, G.D.

    1993-01-01

    ITS (the Integrated Tiger Series) is a powerful, but user-friendly, software package permitting state-of-the-art modelling of electron and/or photon radiation effects. The programs provide Monte Carlo solution of linear time-independent coupled electron/photon radiation transport problems, with or without the presence of macroscopic electric and magnetic fields. The ITS system combines operational simplicity and physical accuracy in order to provide experimentalist and theorists alike with a method for the routine but rigorous solution of sophisticated radiation transport problems

  19. Model for Analysis of the Energy Demand (MAED) users' manual for version MAED-1

    International Nuclear Information System (INIS)

    1986-09-01

    This manual is organized in two major parts. The first part includes eight main sections describing how to use the MAED-1 computer program and the second one consists of five appendices giving some additional information about the program. Concerning the main sections of the manual, Section 1 gives a summary description and some background information about the MAED-1 model. Section 2 extends the description of the MAED-1 model in more detail. Section 3 introduces some concepts, mainly related to the computer requirements imposed by the program, that are used throughout this document. Sections 4 to 7 describe how to execute each of the various programs (or modules) of the MAED-1 package. The description for each module shows the user how to prepare the control and data cards needed to execute the module and how to interpret the printed output produced. Section 8 recapitulates about the use of MAED-1 for carrying out energy and electricity planning studies, describes the several phases normally involved in this type of study and provides the user with practical hints about the most important aspects that need to be verified at each phase while executing the various MAED modules

  20. Modelling of the partial oxidation of {alpha}, {beta}-unsaturated aldehydes on Mo-V-oxides based catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Boehnke, H.; Petzoldt, J.C.; Stein, B.; Weimer, C.; Gaube, J.W. [Technische Univ. Darmstadt (Germany). Inst. fuer Chemische Technologie

    1998-12-31

    A kinetic model based on the Mars-van Krevelen mechanism that allows to describe the microkinetics of the heterogeneously catalysed partial oxidation of {alpha}, {beta}-unsaturated aldehydes is presented. This conversion is represented by a network, composed of the oxidation of the {alpha}, {beta}-unsaturated aldehyde towards the {alpha}, {beta}-unsaturated carboxylic acid and the consecutive oxidation of the acid as well as the parallel reaction of the aldehyde to products of deeper oxidation. The reaction steps of aldehyde respectively acid oxidation and catalyst reoxidation have been investigated separately in transient experiments. The combination of steady state and transient experiments has led to an improved understanding of the interaction of the catalyst with the aldehyde and the carboxylic acids as well as to a support of the kinetic model assumptions. (orig.)

  1. MIG version 0.0 model interface guidelines: Rules to accelerate installation of numerical models into any compliant parent code

    Energy Technology Data Exchange (ETDEWEB)

    Brannon, R.M.; Wong, M.K.

    1996-08-01

    A set of model interface guidelines, called MIG, is presented as a means by which any compliant numerical material model can be rapidly installed into any parent code without having to modify the model subroutines. Here, {open_quotes}model{close_quotes} usually means a material model such as one that computes stress as a function of strain, though the term may be extended to any numerical operation. {open_quotes}Parent code{close_quotes} means a hydrocode, finite element code, etc. which uses the model and enforces, say, the fundamental laws of motion and thermodynamics. MIG requires the model developer (who creates the model package) to specify model needs in a standardized but flexible way. MIG includes a dictionary of technical terms that allows developers and parent code architects to share a common vocabulary when specifying field variables. For portability, database management is the responsibility of the parent code. Input/output occurs via structured calling arguments. As much model information as possible (such as the lists of required inputs, as well as lists of precharacterized material data and special needs) is supplied by the model developer in an ASCII text file. Every MIG-compliant model also has three required subroutines to check data, to request extra field variables, and to perform model physics. To date, the MIG scheme has proven flexible in beta installations of a simple yield model, plus a more complicated viscodamage yield model, three electromechanical models, and a complicated anisotropic microcrack constitutive model. The MIG yield model has been successfully installed using identical subroutines in three vectorized parent codes and one parallel C++ code, all predicting comparable results. By maintaining one model for many codes, MIG facilitates code-to-code comparisons and reduces duplication of effort, thereby reducing the cost of installing and sharing models in diverse new codes.

  2. Application of the GRI 1.2 Methane Oxidation Model to Methane and Methanol Oxidation in Supercritical Water

    National Research Council Canada - National Science Library

    Rice, Steven

    1997-01-01

    The Gas Research Institute (GRI) has been leading an effort over the past few years to consolidate recent developments in the elementary reaction modeling of the oxidation of methane for combustion applications into a single...

  3. Offshore Wind Guidance Document: Oceanography and Sediment Stability (Version 1) Development of a Conceptual Site Model.

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Jesse D.; Jason Magalen; Craig Jones

    2014-06-01

    This guidance document provide s the reader with an overview of the key environmental considerations for a typical offshore wind coastal location and the tools to help guide the reader through a thoro ugh planning process. It will enable readers to identify the key coastal processes relevant to their offshore wind site and perform pertinent analysis to guide siting and layout design, with the goal of minimizing costs associated with planning, permitting , and long - ter m maintenance. The document highlight s site characterization and assessment techniques for evaluating spatial patterns of sediment dynamics in the vicinity of a wind farm under typical, extreme, and storm conditions. Finally, the document des cribe s the assimilation of all of this information into the conceptual site model (CSM) to aid the decision - making processes.

  4. Theoretical modelling of epigenetically modified DNA sequences [version 2; referees: 2 approved

    Directory of Open Access Journals (Sweden)

    Alexandra Teresa Pires Carvalho

    2015-05-01

    Full Text Available We report herein a set of calculations designed to examine the effects of epigenetic modifications on the structure of DNA. The incorporation of methyl, hydroxymethyl, formyl and carboxy substituents at the 5-position of cytosine is shown to hardly affect the geometry of CG base pairs, but to result in rather larger changes to hydrogen-bond and stacking binding energies, as predicted by dispersion-corrected density functional theory (DFT methods. The same modifications within double-stranded GCG and ACA trimers exhibit rather larger structural effects, when including the sugar-phosphate backbone as well as sodium counterions and implicit aqueous solvation. In particular, changes are observed in the buckle and propeller angles within base pairs and the slide and roll values of base pair steps, but these leave the overall helical shape of DNA essentially intact. The structures so obtained are useful as a benchmark of faster methods, including molecular mechanics (MM and hybrid quantum mechanics/molecular mechanics (QM/MM methods. We show that previously developed MM parameters satisfactorily reproduce the trimer structures, as do QM/MM calculations which treat bases with dispersion-corrected DFT and the sugar-phosphate backbone with AMBER. The latter are improved by inclusion of all six bases in the QM region, since a truncated model including only the central CG base pair in the QM region is considerably further from the DFT structure. This QM/MM method is then applied to a set of double-stranded DNA heptamers derived from a recent X-ray crystallographic study, whose size puts a DFT study beyond our current computational resources. These data show that still larger structural changes are observed than in base pairs or trimers, leading us to conclude that it is important to model epigenetic modifications within realistic molecular contexts.

  5. Simulating the 2012 High Plains Drought Using Three Single Column Model Versions of the Community Earth System Model (SCM-CESM)

    Science.gov (United States)

    Medina, I. D.; Denning, S.

    2014-12-01

    The impact of changes in the frequency and severity of drought on fresh water sustainability is a great concern for many regions of the world. One such location is the High Plains, where the local economy is primarily driven by fresh water withdrawals from the Ogallala Aquifer, which accounts for approximately 30% of total irrigation withdrawals from all U.S. aquifers combined. Modeling studies that focus on the feedback mechanisms that control the climate and eco-hydrology during times of drought are limited in the sense that they use conventional General Circulation Models (GCMs) with grid length scales ranging from one hundred to several hundred kilometers. Additionally, these models utilize crude statistical parameterizations of cloud processes for estimating sub-grid fluxes of heat and moisture and have a poor representation of land surface heterogeneity. For this research, we focus on the 2012 High Plains drought, and will perform numerical simulations using three single column model versions of the Community Earth System Model (SCM-CESM) at multiple sites overlying the Ogallala Aquifer for the 2010-2012 period. In the first version of SCM-CESM, CESM will be used in standard mode (Community Atmospheric Model (CAM) coupled to a single instance of the Community Land Model (CLM)), secondly, CESM will be used in Super-Parameterized mode (SP-CESM), where a cloud resolving model (CRM consists of 32 atmospheric columns) replaces the standard CAM atmospheric parameterization and is coupled to a single instance of CLM, and thirdly, CESM is used in "Multi Instance" SP-CESM mode, where an instance of CLM is coupled to each CRM column of SP-CESM (32 CRM columns coupled to 32 instances of CLM). To assess the physical realism of the land-atmosphere feedbacks simulated at each site by all versions of SCM-CESM, differences in simulated energy and moisture fluxes will be computed between years for the 2010-2012 period, and will be compared to differences calculated using

  6. Fuel Cell Power Model Version 2: Startup Guide, System Designs, and Case Studies. Modeling Electricity, Heat, and Hydrogen Generation from Fuel Cell-Based Distributed Energy Systems

    Energy Technology Data Exchange (ETDEWEB)

    Steward, D.; Penev, M.; Saur, G.; Becker, W.; Zuboy, J.

    2013-06-01

    This guide helps users get started with the U.S. Department of Energy/National Renewable Energy Laboratory Fuel Cell Power (FCPower) Model Version 2, which is a Microsoft Excel workbook that analyzes the technical and economic aspects of high-temperature fuel cell-based distributed energy systems with the aim of providing consistent, transparent, comparable results. This type of energy system would provide onsite-generated heat and electricity to large end users such as hospitals and office complexes. The hydrogen produced could be used for fueling vehicles or stored for later conversion to electricity.

  7. A Method and a Model for Describing Competence and Adjustment: A Preschool Version of the Classroom Behavior Inventory.

    Science.gov (United States)

    Schaefer, Earl S.; Edgerton, Marianna D.

    A preschool version of the Classroom Behavior Inventory which provides a method for collecting valid data on a child's classroom behavior from day care and preschool teachers, was developed to complement the earlier form which was developed and validated for elementary school populations. The new version was tested with a pilot group of twenty-two…

  8. Sensitivity of precipitation to parameter values in the community atmosphere model version 5

    Energy Technology Data Exchange (ETDEWEB)

    Johannesson, Gardar; Lucas, Donald; Qian, Yun; Swiler, Laura Painton; Wildey, Timothy Michael

    2014-03-01

    One objective of the Climate Science for a Sustainable Energy Future (CSSEF) program is to develop the capability to thoroughly test and understand the uncertainties in the overall climate model and its components as they are being developed. The focus on uncertainties involves sensitivity analysis: the capability to determine which input parameters have a major influence on the output responses of interest. This report presents some initial sensitivity analysis results performed by Lawrence Livermore National Laboratory (LNNL), Sandia National Laboratories (SNL), and Pacific Northwest National Laboratory (PNNL). In the 2011-2012 timeframe, these laboratories worked in collaboration to perform sensitivity analyses of a set of CAM5, 2° runs, where the response metrics of interest were precipitation metrics. The three labs performed their sensitivity analysis (SA) studies separately and then compared results. Overall, the results were quite consistent with each other although the methods used were different. This exercise provided a robustness check of the global sensitivity analysis metrics and identified some strongly influential parameters.

  9. The natural defense system and the normative self model [version 1; referees: 2 approved

    Directory of Open Access Journals (Sweden)

    Philippe Kourilsky

    2016-05-01

    Full Text Available Infectious agents are not the only agressors, and the immune system is not the sole defender of the organism. In an enlarged perspective, the ‘normative self model’ postulates that a ‘natural defense system’ protects man and other complex organisms against the environmental and internal hazards of life, including infections and cancers. It involves multiple error detection and correction mechanisms that confer robustness to the body at all levels of its organization. According to the model, the self relies on a set of physiological norms, and NONself (meaning : Non Obedient to the Norms of the self is anything ‘off-norms’. The natural defense system comprises a set of ‘civil defenses’ (to which all cells in organs and tissues contribute, and a ‘professional army ‘, made of a smaller set of mobile cells. Mobile and non mobile cells differ in their tuning abilities. Tuning extends the recognition capabilities of NONself by the mobile cells, which increase their defensive function. To prevent them to drift, which would compromise self/NONself discrimination, the more plastic mobile cells need to periodically refer to the more stable non mobile cells to keep within physiological standards.

  10. NMR relaxation induced by iron oxide particles: testing theoretical models.

    Science.gov (United States)

    Gossuin, Y; Orlando, T; Basini, M; Henrard, D; Lascialfari, A; Mattea, C; Stapf, S; Vuong, Q L

    2016-04-15

    Superparamagnetic iron oxide particles find their main application as contrast agents for cellular and molecular magnetic resonance imaging. The contrast they bring is due to the shortening of the transverse relaxation time T 2 of water protons. In order to understand their influence on proton relaxation, different theoretical relaxation models have been developed, each of them presenting a certain validity domain, which depends on the particle characteristics and proton dynamics. The validation of these models is crucial since they allow for predicting the ideal particle characteristics for obtaining the best contrast but also because the fitting of T 1 experimental data by the theory constitutes an interesting tool for the characterization of the nanoparticles. In this work, T 2 of suspensions of iron oxide particles in different solvents and at different temperatures, corresponding to different proton diffusion properties, were measured and were compared to the three main theoretical models (the motional averaging regime, the static dephasing regime, and the partial refocusing model) with good qualitative agreement. However, a real quantitative agreement was not observed, probably because of the complexity of these nanoparticulate systems. The Roch theory, developed in the motional averaging regime (MAR), was also successfully used to fit T 1 nuclear magnetic relaxation dispersion (NMRD) profiles, even outside the MAR validity range, and provided a good estimate of the particle size. On the other hand, the simultaneous fitting of T 1 and T 2 NMRD profiles by the theory was impossible, and this occurrence constitutes a clear limitation of the Roch model. Finally, the theory was shown to satisfactorily fit the deuterium T 1 NMRD profile of superparamagnetic particle suspensions in heavy water.

  11. Columbia River Statistical Update Model, Version 4. 0 (COLSTAT4): Background documentation and user's guide

    Energy Technology Data Exchange (ETDEWEB)

    Whelan, G.; Damschen, D.W.; Brockhaus, R.D.

    1987-08-01

    Daily-averaged temperature and flow information on the Columbia River just downstream of Priest Rapids Dam and upstream of river mile 380 were collected and stored in a data base. The flow information corresponds to discharges that were collected daily from October 1, 1959, through July 28, 1986. The temperature information corresponds to values that were collected daily from January 1, 1965, through May 27, 1986. The computer model, COLSTAT4 (Columbia River Statistical Update - Version 4.0 model), uses the temperature-discharge data base to statistically analyze temperature and flow conditions by computing the frequency of occurrence and duration of selected temperatures and flow rates for the Columbia River. The COLSTAT4 code analyzes the flow and temperature information in a sequential time frame (i.e., a continuous analysis over a given time period); it also analyzes this information in a seasonal time frame (i.e., a periodic analysis over a specific season from year to year). A provision is included to enable the user to edit and/or extend the data base of temperature and flow information. This report describes the COLSTAT4 code and the information contained in its data base.

  12. An MCM modeling study of nitryl chloride (ClNO2) impacts on oxidation, ozone production and nitrogen oxide partitioning in polluted continental outflow

    Science.gov (United States)

    Riedel, T. P.; Wolfe, G. M.; Danas, K. T.; Gilman, J. B.; Kuster, W. C.; Bon, D. M.; Vlasenko, A.; Li, S.-M.; Williams, E. J.; Lerner, B. M.; Veres, P. R.; Roberts, J. M.; Holloway, J. S.; Lefer, B.; Brown, S. S.; Thornton, J. A.

    2014-04-01

    Nitryl chloride (ClNO2) is produced at night by reactions of dinitrogen pentoxide (N2O5) on chloride containing surfaces. ClNO2 is photolyzed during the morning hours after sunrise to liberate highly reactive chlorine atoms (Cl·). This chemistry takes place primarily in polluted environments where the concentrations of N2O5 precursors (nitrogen oxide radicals and ozone) are high, though it likely occurs in remote regions at lower intensities. Recent field measurements have illustrated the potential importance of ClNO2 as a daytime Cl· source and a nighttime NOx reservoir. However, the fate of the Cl· and the overall impact of ClNO2 on regional photochemistry remain poorly constrained by measurements and models. To this end, we have incorporated ClNO2 production, photolysis, and subsequent Cl· reactions into an existing master chemical mechanism (MCM version 3.2) box model framework using observational constraints from the CalNex 2010 field study. Cl· reactions with a set of alkenes and alcohols, and the simplified multiphase chemistry of N2O5, ClNO2, HOCl, ClONO2, and Cl2, none of which are currently part of the MCM, have been added to the mechanism. The presence of ClNO2 produces significant changes to oxidants, ozone, and nitrogen oxide partitioning, relative to model runs excluding ClNO2 formation. From a nighttime maximum of 1.5 ppbv ClNO2, the daytime maximum Cl· concentration reaches 1 × 105 atoms cm-3 at 07:00 model time, reacting mostly with a large suite of volatile organic compounds (VOC) to produce 2.2 times more organic peroxy radicals in the morning than in the absence of ClNO2. In the presence of several ppbv of nitrogen oxide radicals (NOx = NO + NO2), these perturbations lead to similar enhancements in hydrogen oxide radicals (HOx = OH + HO2). Neglecting contributions from HONO, the total integrated daytime radical source is 17% larger when including ClNO2, which leads to a similar enhancement in integrated ozone production of 15%. Detectable

  13. Updating sea spray aerosol emissions in the Community Multiscale Air Quality (CMAQ) model version 5.0.2

    Science.gov (United States)

    Gantt, B.; Kelly, J. T.; Bash, J. O.

    2015-11-01

    Sea spray aerosols (SSAs) impact the particle mass concentration and gas-particle partitioning in coastal environments, with implications for human and ecosystem health. Model evaluations of SSA emissions have mainly focused on the global scale, but regional-scale evaluations are also important due to the localized impact of SSAs on atmospheric chemistry near the coast. In this study, SSA emissions in the Community Multiscale Air Quality (CMAQ) model were updated to enhance the fine-mode size distribution, include sea surface temperature (SST) dependency, and reduce surf-enhanced emissions. Predictions from the updated CMAQ model and those of the previous release version, CMAQv5.0.2, were evaluated using several coastal and national observational data sets in the continental US. The updated emissions generally reduced model underestimates of sodium, chloride, and nitrate surface concentrations for coastal sites in the Bay Regional Atmospheric Chemistry Experiment (BRACE) near Tampa, Florida. Including SST dependency to the SSA emission parameterization led to increased sodium concentrations in the southeastern US and decreased concentrations along parts of the Pacific coast and northeastern US. The influence of sodium on the gas-particle partitioning of nitrate resulted in higher nitrate particle concentrations in many coastal urban areas due to increased condensation of nitric acid in the updated simulations, potentially affecting the predicted nitrogen deposition in sensitive ecosystems. Application of the updated SSA emissions to the California Research at the Nexus of Air Quality and Climate Change (CalNex) study period resulted in a modest improvement in the predicted surface concentration of sodium and nitrate at several central and southern California coastal sites. This update of SSA emissions enabled a more realistic simulation of the atmospheric chemistry in coastal environments where marine air mixes with urban pollution.

  14. Dynamic global model of oxide Czochralski process with weighing control

    Science.gov (United States)

    Mamedov, V. M.; Vasiliev, M. G.; Yuferev, V. S.

    2011-03-01

    A dynamic model of oxide Czochralski growth with weighing control has been developed for the first time. A time-dependent approach is used for the calculation of temperature fields in different parts of a crystallization set-up and convection patterns in a melt, while internal radiation in crystal is considered in a quasi-steady approximation. A special algorithm is developed for the calculation of displacement of a triple point and simulation of a crystal surface formation. To calculate variations in the heat generation, a model of weighing control with a commonly used PID regulator is applied. As an example, simulation of the growth process of gallium-gadolinium garnet (GGG) crystals starting from the stage of seeding is performed.

  15. Thermal radiation modelling in a tubular solid oxide fuel cell

    International Nuclear Information System (INIS)

    Austin, M.E.; Pharoah, J.G.; Vandersteen, J.D.J.

    2004-01-01

    Solid Oxide Fuel Cells (SOFCs) are becoming the fuel cell of choice among companies and research groups interested in small power generation units. Questions still exist, however, about the operating characteristics of these devices; in particular the temperature distribution in the fuel cell. Using computational fluid dynamics (CFD) a model is proposed that incorporates conduction, convection and radiation. Both surface-to-surface and participating media are considered. It is hoped that a more accurate account of the temperature field in the various flow channels and cell components will be made to assist work on design of fuel cell components and reaction mechanisms. The model, when incorporating radiative heat transfer with participating media, predicts substantially lower operating temperatures and smaller temperature gradients than it does without these equations. It also shows the importance of the cathode air channel in cell cooling. (author)

  16. Enhanced Representation of Soil NO Emissions in the Community Multiscale Air Quality (CMAQ) Model Version 5.0.2

    Science.gov (United States)

    Rasool, Quazi Z.; Zhang, Rui; Lash, Benjamin; Cohan, Daniel S.; Cooter, Ellen J.; Bash, Jesse O.; Lamsal, Lok N.

    2016-01-01

    Modeling of soil nitric oxide (NO) emissions is highly uncertain and may misrepresent its spatial and temporal distribution. This study builds upon a recently introduced parameterization to improve the timing and spatial distribution of soil NO emission estimates in the Community Multiscale Air Quality (CMAQ) model. The parameterization considers soil parameters, meteorology, land use, and mineral nitrogen (N) availability to estimate NO emissions. We incorporate daily year-specific fertilizer data from the Environmental Policy Integrated Climate (EPIC) agricultural model to replace the annual generic data of the initial parameterization, and use a 12km resolution soil biome map over the continental USA. CMAQ modeling for July 2011 shows slight differences in model performance in simulating fine particulate matter and ozone from Interagency Monitoring of Protected Visual Environments (IMPROVE) and Clean Air Status and Trends Network (CASTNET) sites and NO2 columns from Ozone Monitoring Instrument (OMI) satellite retrievals. We also simulate how the change in soil NO emissions scheme affects the expected O3 response to projected emissions reductions.

  17. An experimental and modeling study of diethyl carbonate oxidation

    KAUST Repository

    Nakamura, Hisashi; Curran, Henry J.; Polo-Có rdoba, Á ngel David; Pitz, William J.; Dagaut, P.; Togbé , Casimir; Sarathy, Mani; Mehl, Marco; Agudelo, John Ramiro; Bustamante, Felipe

    2015-01-01

    Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO2 and particulate emissions from diesel engines. A better understanding of DEC combustion characteristics is needed to facilitate its use in internal combustion engines. Toward this goal, ignition delay times for DEC were measured at conditions relevant to internal combustion engines using a rapid compression machine (RCM) and a shock tube. The experimental conditions investigated covered a wide range of temperatures (660-1300K), a pressure of 30bar, and equivalence ratios of 0.5, 1.0 and 2.0 in air. To provide further understanding of the intermediates formed in DEC oxidation, species concentrations were measured in a jet-stirred reactor at 10atm over a temperature range of 500-1200K and at equivalence ratios of 0.5, 1.0 and 2.0. These experimental measurements were used to aid the development and validation of a chemical kinetic model for DEC.The experimental results for ignition in the RCM showed near negative temperature coefficient (NTC) behavior. Six-membered alkylperoxy radical (RO˙2) isomerizations are conventionally thought to initiate low-temperature branching reactions responsible for NTC behavior, but DEC has no such possible 6- and 7-membered ring isomerizations. However, its molecular structure allows for 5-, 8- and 9-membered ring RO˙2 isomerizations. To provide accurate rate constants for these ring structures, ab initio computations for RO˙2⇌Q˙OOH isomerization reactions were performed. These new RO˙2 isomerization rate constants have been implemented in a chemical kinetic model for DEC oxidation. The model simulations have been compared with ignition delay times measured in the RCM near the NTC region. Results of the simulation were also compared with experimental results for ignition in the high-temperature region and for species concentrations in the jet-stirred reactor. Chemical kinetic insights into the

  18. An experimental and modeling study of diethyl carbonate oxidation

    KAUST Repository

    Nakamura, Hisashi

    2015-04-01

    Diethyl carbonate (DEC) is an attractive biofuel that can be used to displace petroleum-derived diesel fuel, thereby reducing CO2 and particulate emissions from diesel engines. A better understanding of DEC combustion characteristics is needed to facilitate its use in internal combustion engines. Toward this goal, ignition delay times for DEC were measured at conditions relevant to internal combustion engines using a rapid compression machine (RCM) and a shock tube. The experimental conditions investigated covered a wide range of temperatures (660-1300K), a pressure of 30bar, and equivalence ratios of 0.5, 1.0 and 2.0 in air. To provide further understanding of the intermediates formed in DEC oxidation, species concentrations were measured in a jet-stirred reactor at 10atm over a temperature range of 500-1200K and at equivalence ratios of 0.5, 1.0 and 2.0. These experimental measurements were used to aid the development and validation of a chemical kinetic model for DEC.The experimental results for ignition in the RCM showed near negative temperature coefficient (NTC) behavior. Six-membered alkylperoxy radical (RO˙2) isomerizations are conventionally thought to initiate low-temperature branching reactions responsible for NTC behavior, but DEC has no such possible 6- and 7-membered ring isomerizations. However, its molecular structure allows for 5-, 8- and 9-membered ring RO˙2 isomerizations. To provide accurate rate constants for these ring structures, ab initio computations for RO˙2⇌Q˙OOH isomerization reactions were performed. These new RO˙2 isomerization rate constants have been implemented in a chemical kinetic model for DEC oxidation. The model simulations have been compared with ignition delay times measured in the RCM near the NTC region. Results of the simulation were also compared with experimental results for ignition in the high-temperature region and for species concentrations in the jet-stirred reactor. Chemical kinetic insights into the

  19. Modeling of oxide reduction in repeated-batch pyroprocessing

    International Nuclear Information System (INIS)

    Lee, Hyo Jik; Im, Hun Suk; Park, Geun Il

    2016-01-01

    Highlights: • Pyroprocessing is a complicated batch-type operation. • Discrete event system modeling was used to create an integrated operation model. • Simulation showed that could be accomplished. • The dynamic material flow helps us understand the process operation. • We showed that complex material flow could be simulated in terms of mass balance. - Abstract: Pyroprocessing is a complicated batch-type operation, involving a highly complex material flow logic with a huge number of unit processes. Discrete event system modeling was used to create an integrated operation model for which simulation showed that dynamic material flow could be accomplished to provide considerable insight into the process operation. In the model simulation, the amount of material transported upstream and downstream in the process satisfies a mass balance equation while considering the hold-up incurred by every batch operation. This study also simulated, in detail, an oxide reduction group process embracing electrolytic reduction, cathode processing, and salt purification. Based on the default operation scenario, it showed that complex material flows could be precisely simulated in terms of the mass balance. Specifically, the amount of high-heat elements remaining in the molten salt bath is analyzed to evaluate the operation scenario.

  20. EIA model documentation: World oil refining logistics demand model,``WORLD`` reference manual. Version 1.1

    Energy Technology Data Exchange (ETDEWEB)

    1994-04-11

    This manual is intended primarily for use as a reference by analysts applying the WORLD model to regional studies. It also provides overview information on WORLD features of potential interest to managers and analysts. Broadly, the manual covers WORLD model features in progressively increasing detail. Section 2 provides an overview of the WORLD model, how it has evolved, what its design goals are, what it produces, and where it can be taken with further enhancements. Section 3 reviews model management covering data sources, managing over-optimization, calibration and seasonality, check-points for case construction and common errors. Section 4 describes in detail the WORLD system, including: data and program systems in overview; details of mainframe and PC program control and files;model generation, size management, debugging and error analysis; use with different optimizers; and reporting and results analysis. Section 5 provides a detailed description of every WORLD model data table, covering model controls, case and technology data. Section 6 goes into the details of WORLD matrix structure. It provides an overview, describes how regional definitions are controlled and defines the naming conventions for-all model rows, columns, right-hand sides, and bounds. It also includes a discussion of the formulation of product blending and specifications in WORLD. Several Appendices supplement the main sections.

  1. Study of the Eco-Economic Indicators by Means of the New Version of the Merge Integrated Model Part 2

    Directory of Open Access Journals (Sweden)

    Boris Vadimovich Digas

    2016-03-01

    Full Text Available One of the most relevant issues of the day is the forecasting problem of climatic changes and mitigation of their consequences. The official point of view reflected in the Climate doctrine of the Russian Federation consists in the recognition of the need of the development of the state approach to the climatic problems and related issues on the basis of the comprehensive scientific analysis of ecological, economic and social factors. For this purpose, the integrated estimation models of interdisciplinary character are attracted. Their functionality is characterized by the possibility of construction and testing of various dynamic scenarios of complex systems. The main purposes of the computing experiments described in the article are a review of the consequences of hypothetical participation of Russia in initiatives for greenhouse gas reduction as the Kyoto Protocol and approbation of one of the calculation methods of the green gross domestic product representing the efficiency of environmental management in the modelling. To implement the given goals, the MERGE optimization model is used, its classical version is intended for the quantitative estimation of the application results of nature protection strategies. The components of the model are the eco-power module, climatic module and the module of loss estimates. In the work, the main attention is paid to the adaptation of the MERGE model to a current state of the world economy in the conditions of a complicated geopolitical situation and introduction of a new component to the model, realizing a simplified method for calculation the green gross domestic product. The Project of scenario conditions and the key macroeconomic forecast parameters of the socio-economic development of Russia for 2016 and the schedule date of 2017−2018 made by the Ministry of Economic Development of the Russian Federation are used as a basic source of entrance data for the analysis of possible trajectories of the

  2. Study of the Eco-Economic Indicators by Means of the New Version of the Merge Integrated Model. Part 1

    Directory of Open Access Journals (Sweden)

    Boris Vadimovich Digas

    2015-12-01

    Full Text Available One of the most relevant issues of the day is the forecasting problem of climatic changes and mitigation of their consequences. The official point of view reflected in the Climate doctrine of the Russian Federation consists in the recognition of the need of the development of the state approach to the climatic problems and related issues on the basis of the comprehensive scientific analysis of ecological, economic and social factors. For this purpose, the integrated estimation models of interdisciplinary character are attracted. Their functionality is characterized by the possibility of construction and testing of various dynamic scenarios of complex systems. The main purposes of the computing experiments described in the article are a review of the consequences of hypothetical participation of Russia in initiatives for greenhouse gas reduction as the Kyoto Protocol and approbation of one of the calculation methods of the green GDP representing the efficiency of environmental management in the modelling. To implement the given goals, the MERGE optimization model is used, its classical version is intended for the quantitative estimation of the application results of nature protection strategies. The components of the model are the eco-power module, climatic module and the module of loss estimates. In the work, the main attention is paid to the adaptation of the MERGE model to a current state of the world economy in the conditions of a complicated geopolitical situation and introduction of a new component to the model, realizing a simplified method for calculation the green GDP. The Project of scenario conditions and the key macroeconomic forecast parameters of the socio-economic development of Russia for 2016 and the schedule date of 2017−2018 made by the Ministry of Economic Development of the Russian Federation are used as a basic source of entrance data for the analysis of possible trajectories of the economic development of Russia and the

  3. Thermal Site Descriptive Model. A strategy for the model development during site investigations. Version 1.0

    International Nuclear Information System (INIS)

    Sundberg, Jan

    2003-04-01

    Site investigations are in progress for the siting of a deep repository for spent nuclear fuel. As part of the planning work, strategies are developed for site descriptive modelling regarding different disciplines, amongst them the thermal conditions. The objective of the strategy for a thermal site descriptive model is to guide the practical implementation of evaluating site specific data during the site investigations. It is understood that further development may be needed. The model describes the thermal properties and other thermal parameters of intact rock, fractures and fracture zones, and of the rock mass. The methodology is based on estimation of thermal properties of intact rock and discontinuities, using both empirical and theoretical/numerical approaches, and estimation of thermal processes using mathematical modelling. The methodology will be used and evaluated for the thermal site descriptive modelling at the Aespoe Hard Rock Laboratory

  4. Modeling of termokinetic oscillations at partial oxidation of methane

    Science.gov (United States)

    Arutyunov, A. V.; Belyaev, A. A.; Inovenkov, I. N.; Nefedov, V. V.

    2017-12-01

    Partial oxidation of natural gas at moderate temperatures below 1500 K has significant interest for a number of industrial applications. But such processes can proceed at different unstable regimes including oscillating modes. Nonlinear phenomena at partial oxidation of methane were observed at different conditions. The investigation of the complex nonlinear system of equations that describes this process is a real method to insure its stability at industrial conditions and, at the same time, is an effective tool for its further enhancement. Numerical analysis of methane oxidation kinetics in the continuous stirred-tank reactor, with the use of detailed kinetic model has shown the possibility of the appearance of oscillating modes in the appropriate range of reaction parameters that characterize the composition, pressure, reagents flow, thermophysical features of the system, and geometry of the reactor. The appearance of oscillating modes is connected both with the reaction kinetics, heat release and sink and reagents introduction and removing. At that, oscillations appear only at a limited range of parameters, but can be accompanied by significant change in the yield of products. We have determined the range of initial temperature and pressure at which oscillations can be observed, if all other parameters remained fixed. The boundaries of existence of oscillations on the phase plane were calculated. It was shown that depending on the position inside the oscillation region the oscillations have different frequency and amplitude. It was reviled the role of heat exchange with the environment: at the absence of heat exchange the oscillating modes are impossible. In the vicinity of the boundary of phase range, where oscillations exist, significant change of concentration of some products were observed, for example, that of CO2, which in this case one of the principal products is. At that, insignificant increase in pressure not only change the character of CO2 behaving

  5. VELMA Ecohydrological Model, Version 2.0 -- Analyzing Green Infrastructure Options for Enhancing Water Quality and Ecosystem Service Co-Benefits

    Science.gov (United States)

    This 2-page factsheet describes an enhanced version (2.0) of the VELMA eco-hydrological model. VELMA – Visualizing Ecosystem Land Management Assessments – has been redesigned to assist communities, land managers, policy makers and other decision makers in evaluataing the effecti...

  6. MODIFIED N.R.C. VERSION OF THE U.S.G.S. SOLUTE TRANSPORT MODEL. VOLUME 2. INTERACTIVE PREPROCESSOR PROGRAM

    Science.gov (United States)

    The methods described in the report can be used with the modified N.R.C. version of the U.S.G.S. Solute Transport Model to predict the concentration of chemical parameters in a contaminant plume. The two volume report contains program documentation and user's manual. The program ...

  7. Modeling of Cd(II) sorption on mixed oxide

    International Nuclear Information System (INIS)

    Waseem, M.; Mustafa, S.; Naeem, A.; Shah, K.H.; Hussain, S.Y.; Safdar, M.

    2011-01-01

    Mixed oxide of iron and silicon (0.75 M Fe(OH)3:0.25 M SiO/sub 2/) was synthesized and characterized by various techniques like surface area analysis, point of zero charge (PZC), energy dispersive X-rays (EDX) spectroscopy, Thermogravimetric and differential thermal analysis (TG-DTA), Fourier transform infrared spectroscopy (FTIR) and X-rays diffraction (XRD) analysis. The uptake of Cd/sup 2+/ ions on mixed oxide increased with pH, temperature and metal ion concentration. Sorption data have been interpreted in terms of both Langmuir and Freundlich models. The Xm values at pH 7 are found to be almost twice as compared to pH 5. The values of both DH and DS were found to be positive indicating that the sorption process was endothermic and accompanied by the dehydration of Cd/sup 2+/. Further, the negative value of DG confirms the spontaneity of the reaction. The ion exchange mechanism was suggested to take place for each Cd/sup 2+/ ions at pH 5, whereas ion exchange was found coupled with non specific adsorption of metal cations at pH 7. (author)

  8. The role of lager beer yeast in oxidative stability of model beer

    DEFF Research Database (Denmark)

    Berner, Torben Sune; Arneborg, Nils

    2012-01-01

    that the oxidative stress resistance was strain dependent. Fermentation of model wort in European Brewing Convention tubes using three yeast strains with varying oxidative stress resistances resulted in three model beers with different rates of radical formation as measured by electron spin resonance in forced......AIMS: In this study, we investigated the relationship between the ability of lager brewing yeast strains to tolerate oxidative stress and their ability to produce oxidative stable model beer. METHODS AND RESULTS: Screening of 21 lager brewing yeast strains against diamide and paraquat showed...... in the model beers. CONCLUSIONS: A more oxidative stable beer is not obtained by a more-oxidative-stress-tolerant lager brewing yeast strain, exhibiting a higher secretion of thioredoxin, but rather by a less-oxidative-stress-tolerant strain, exhibiting a higher iron uptake. SIGNIFICANCE AND IMPACT...

  9. Lord-Wingersky Algorithm Version 2.0 for Hierarchical Item Factor Models with Applications in Test Scoring, Scale Alignment, and Model Fit Testing.

    Science.gov (United States)

    Cai, Li

    2015-06-01

    Lord and Wingersky's (Appl Psychol Meas 8:453-461, 1984) recursive algorithm for creating summed score based likelihoods and posteriors has a proven track record in unidimensional item response theory (IRT) applications. Extending the recursive algorithm to handle multidimensionality is relatively simple, especially with fixed quadrature because the recursions can be defined on a grid formed by direct products of quadrature points. However, the increase in computational burden remains exponential in the number of dimensions, making the implementation of the recursive algorithm cumbersome for truly high-dimensional models. In this paper, a dimension reduction method that is specific to the Lord-Wingersky recursions is developed. This method can take advantage of the restrictions implied by hierarchical item factor models, e.g., the bifactor model, the testlet model, or the two-tier model, such that a version of the Lord-Wingersky recursive algorithm can operate on a dramatically reduced set of quadrature points. For instance, in a bifactor model, the dimension of integration is always equal to 2, regardless of the number of factors. The new algorithm not only provides an effective mechanism to produce summed score to IRT scaled score translation tables properly adjusted for residual dependence, but leads to new applications in test scoring, linking, and model fit checking as well. Simulated and empirical examples are used to illustrate the new applications.

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  11. Thermal oxidative degradation kinetics of agricultural residues using distributed activation energy model and global kinetic model.

    Science.gov (United States)

    Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

    2018-08-01

    The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

  12. Brayton Cycle Numerical Modeling using the RELAP5-3D code, version 4.3.4

    Energy Technology Data Exchange (ETDEWEB)

    Longhini, Eduardo P.; Lobo, Paulo D.C.; Guimarães, Lamartine N.F.; Filho, Francisco A.B.; Ribeiro, Guilherme B., E-mail: edu_longhini@yahoo.com.br [Instituto de Estudos Avançados (IEAv), São José dos Campos, SP (Brazil). Divisão de Energia Nuclear

    2017-07-01

    This work contributes to enable and develop technologies to mount fast micro reactors, to generate heat and electric energy, for the purpose to warm and to supply electrically spacecraft equipment and, also, the production of nuclear space propulsion effect. So, for this purpose, the Brayton Cycle demonstrates to be an optimum approach for space nuclear power. The Brayton thermal cycle gas has as characteristic to be a closed cycle, with two adiabatic processes and two isobaric processes. The components performing the cycle's processes are compressor, turbine, heat source, cold source and recuperator. Therefore, the working fluid's mass flow runs the thermal cycle that converts thermal energy into electrical energy, able to use in spaces and land devices. The objective is numerically to model the Brayton thermal cycle gas on nominal operation with one turbomachine composed for a radial-inflow compressor and turbine of a 40.8 kWe Brayton Rotating Unit (BRU). The Brayton cycle numerical modeling is being performed with the program RELAP5-3D, version 4.3.4. The nominal operation uses as working fluid a mixture 40 g/mole He-Xe with a flow rate of 1.85 kg/s, shaft rotational speed of 45 krpm, compressor and turbine inlet temperature of 400 K and 1149 K, respectively, and compressor exit pressure 0.931 MPa. Then, the aim is to get physical corresponding data to operate each cycle component and the general cycle on this nominal operation. (author)

  13. Brayton Cycle Numerical Modeling using the RELAP5-3D code, version 4.3.4

    International Nuclear Information System (INIS)

    Longhini, Eduardo P.; Lobo, Paulo D.C.; Guimarães, Lamartine N.F.; Filho, Francisco A.B.; Ribeiro, Guilherme B.

    2017-01-01

    This work contributes to enable and develop technologies to mount fast micro reactors, to generate heat and electric energy, for the purpose to warm and to supply electrically spacecraft equipment and, also, the production of nuclear space propulsion effect. So, for this purpose, the Brayton Cycle demonstrates to be an optimum approach for space nuclear power. The Brayton thermal cycle gas has as characteristic to be a closed cycle, with two adiabatic processes and two isobaric processes. The components performing the cycle's processes are compressor, turbine, heat source, cold source and recuperator. Therefore, the working fluid's mass flow runs the thermal cycle that converts thermal energy into electrical energy, able to use in spaces and land devices. The objective is numerically to model the Brayton thermal cycle gas on nominal operation with one turbomachine composed for a radial-inflow compressor and turbine of a 40.8 kWe Brayton Rotating Unit (BRU). The Brayton cycle numerical modeling is being performed with the program RELAP5-3D, version 4.3.4. The nominal operation uses as working fluid a mixture 40 g/mole He-Xe with a flow rate of 1.85 kg/s, shaft rotational speed of 45 krpm, compressor and turbine inlet temperature of 400 K and 1149 K, respectively, and compressor exit pressure 0.931 MPa. Then, the aim is to get physical corresponding data to operate each cycle component and the general cycle on this nominal operation. (author)

  14. Reactor modeling and process analysis for partial oxidation of natural gas

    NARCIS (Netherlands)

    Albrecht, B.A.

    2004-01-01

    This thesis analyses a novel process of partial oxidation of natural gas and develops a numerical tool for the partial oxidation reactor modeling. The proposed process generates syngas in an integrated plant of a partial oxidation reactor, a syngas turbine and an air separation unit. This is called

  15. Radiolytic oxidation of propane: computer modeling of the reaction scheme

    International Nuclear Information System (INIS)

    Gupta, A.K.; Hanrahan, R.J.

    1991-01-01

    The oxidation of gaseous propane under gamma radiolysis was studied at 100 torr pressure and 25 o C, at oxygen pressures from 1 to 15 torr. Major oxygen-containing products and their G-values with 10% added oxygen are as follows: acetone, 0.98; i-propyl alcohol, 0.86; propionaldehyde, 0.43; n-propyl alcohol, 0.11; acrolein, 0.14; and allyl alcohol, 0.038. The formation of major oxygen-containing products was explained on the basis that the alkyl radicals combine with molecular oxygen to give peroxyl radicals; the peroxyl radicals react with one another to give alkoxyl radicals, which in turn react with one another to form carbonyl compounds and alcohols. The reaction scheme for the formation of major products was examined using computer modeling based on a mechanism involving 28 reactions. Yields could be brought into agreement with the data within experimental error in nearly all cases. (author)

  16. Systemic oxidative stress markers in animal model for depression

    DEFF Research Database (Denmark)

    Bouzinova, Elena; Kravtsova, Violetta; Aalkjær, Christian

    Involvement of oxidative stress (OxS) in development of major depressive disorder has recently become evident, though mechanisms behind this remain elusive. We analyzed therefore OxS pathways in rat Chronic Mild Stress (CMS) model of depression. Rats are exposed to chronic unpredictable mild...... mg/kg/day). Saline injections were done to control the vehicle effect. Escitalopram treated rats were sub-divided into 2 groups: responders and non-responders, according to their hedonic state and compared to non-stressed rats, treated with either saline or Escitalopram. Measurement of total...... glutathione and malondialdehyde (MDA) in lungs, heart, skeletal muscles, liver, saphenous, mesenteric, and tail arteries were used as estimates for OxS. In heart, glutathione was increased in CMS rats in comparison with non-stressed vehicle group. Accordingly, an estimate for free radical activity, MDA...

  17. Modeling the structure of the attitudes and belief scale 2 using CFA and bifactor approaches: Toward the development of an abbreviated version.

    Science.gov (United States)

    Hyland, Philip; Shevlin, Mark; Adamson, Gary; Boduszek, Daniel

    2014-01-01

    The Attitudes and Belief Scale-2 (ABS-2: DiGiuseppe, Leaf, Exner, & Robin, 1988. The development of a measure of rational/irrational thinking. Paper presented at the World Congress of Behavior Therapy, Edinburg, Scotland.) is a 72-item self-report measure of evaluative rational and irrational beliefs widely used in Rational Emotive Behavior Therapy research contexts. However, little psychometric evidence exists regarding the measure's underlying factor structure. Furthermore, given the length of the ABS-2 there is a need for an abbreviated version that can be administered when there are time demands on the researcher, such as in clinical settings. This study sought to examine a series of theoretical models hypothesized to represent the latent structure of the ABS-2 within an alternative models framework using traditional confirmatory factor analysis as well as utilizing a bifactor modeling approach. Furthermore, this study also sought to develop a psychometrically sound abbreviated version of the ABS-2. Three hundred and thirteen (N = 313) active emergency service personnel completed the ABS-2. Results indicated that for each model, the application of bifactor modeling procedures improved model fit statistics, and a novel eight-factor intercorrelated solution was identified as the best fitting model of the ABS-2. However, the observed fit indices failed to satisfy commonly accepted standards. A 24-item abbreviated version was thus constructed and an intercorrelated eight-factor solution yielded satisfactory model fit statistics. Current results support the use of a bifactor modeling approach to determining the factor structure of the ABS-2. Furthermore, results provide empirical support for the psychometric properties of the newly developed abbreviated version.

  18. User's guide to the MESOI diffusion model: Version 1. 1 (for Data General Eclipse S/230 with AFOS)

    Energy Technology Data Exchange (ETDEWEB)

    Athey, G.F.; Ramsdell, J.V.

    1982-09-01

    MESOI is an interactive, Langrangian puff trajectory model. The model theory is documented separately (Ramsdell and Athey, 1981). Version 1.1 is a modified form of the original 1.0. It is designed to run on a Data General Eclipse computer. The model has improved support features which make it useful as an emergency response tool. This report is intended to provide the user with the information necessary to successfully conduct model simulations using MESOI Version 1.1 and to use the support programs STAPREP and EXPLT. The user is also provided information on the use of the data file maintenance and review program UPDATE. Examples are given for the operation of the program. Test data sets are described which allow the user to practice with the programs and to confirm proper implementation and execution.

  19. SPH based modelling of oxide and oxide film formation in gravity die castings

    International Nuclear Information System (INIS)

    Ellingsen, K; M'Hamdi, M; Coudert, T

    2015-01-01

    Gravity die casting is an important casting process which has the capability of making complicated, high-integrity components for e.g. the automotive industry. Oxides and oxide films formed during filling affect the cast product quality. The Smoothed particle hydrodynamics (SPH) method is particularly suited to follow complex flows. The SPH method has been used to study filling of a gravity die including the formation and transport of oxides and oxide films for two different filling velocities. A low inlet velocity leads to a higher amount of oxides and oxide films in the casting. The study demonstrates the usefulness of the SPH method for an increased understanding of the effect of different filling procedures on the cast quality. (paper)

  20. Temperature and Humidity Profiles in the TqJoint Data Group of AIRS Version 6 Product for the Climate Model Evaluation

    Science.gov (United States)

    Ding, Feng; Fang, Fan; Hearty, Thomas J.; Theobald, Michael; Vollmer, Bruce; Lynnes, Christopher

    2014-01-01

    The Atmospheric Infrared Sounder (AIRS) mission is entering its 13th year of global observations of the atmospheric state, including temperature and humidity profiles, outgoing long-wave radiation, cloud properties, and trace gases. Thus AIRS data have been widely used, among other things, for short-term climate research and observational component for model evaluation. One instance is the fifth phase of the Coupled Model Intercomparison Project (CMIP5) which uses AIRS version 5 data in the climate model evaluation. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) is the home of processing, archiving, and distribution services for data from the AIRS mission. The GES DISC, in collaboration with the AIRS Project, released data from the version 6 algorithm in early 2013. The new algorithm represents a significant improvement over previous versions in terms of greater stability, yield, and quality of products. The ongoing Earth System Grid for next generation climate model research project, a collaborative effort of GES DISC and NASA JPL, will bring temperature and humidity profiles from AIRS version 6. The AIRS version 6 product adds a new "TqJoint" data group, which contains data for a common set of observations across water vapor and temperature at all atmospheric levels and is suitable for climate process studies. How different may the monthly temperature and humidity profiles in "TqJoint" group be from the "Standard" group where temperature and water vapor are not always valid at the same time? This study aims to answer the question by comprehensively comparing the temperature and humidity profiles from the "TqJoint" group and the "Standard" group. The comparison includes mean differences at different levels globally and over land and ocean. We are also working on examining the sampling differences between the "TqJoint" and "Standard" group using MERRA data.

  1. Statistical model of fractures and deformations zones for Forsmark. Preliminary site description Forsmark area - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    La Pointe, Paul R. [Golder Associate Inc., Redmond, WA (United States); Olofsson, Isabelle; Hermanson, Jan [Golder Associates AB, Uppsala (Sweden)

    2005-04-01

    Compared to version 1.1, a much larger amount of data especially from boreholes is available. Both one-hole interpretation and Boremap indicate the presence of high and low fracture intensity intervals in the rock mass. The depth and width of these intervals varies from borehole to borehole but these constant fracture intensity intervals are contiguous and present quite sharp transitions. There is not a consistent pattern of intervals of high fracture intensity at or near to the surface. In many cases, the intervals of highest fracture intensity are considerably below the surface. While some fractures may have occurred or been reactivated in response to surficial stress relief, surficial stress relief does not appear to be a significant explanatory variable for the observed variations in fracture intensity. Data from the high fracture intensity intervals were extracted and statistical analyses were conducted in order to identify common geological factors. Stereoplots of fracture orientation versus depth for the different fracture intensity intervals were also produced for each borehole. Moreover percussion borehole data were analysed in order to identify the persistence of these intervals throughout the model volume. The main conclusions of these analyses are the following: The fracture intensity is conditioned by the rock domain, but inside a rock domain intervals of high and low fracture intensity are identified. The intervals of high fracture intensity almost always correspond to intervals with distinct fracture orientations (whether a set, most often the NW sub-vertical set, is highly dominant, or some orientation sets are missing). These high fracture intensity intervals are positively correlated to the presence of first and second generation minerals (epidote, calcite). No clear correlation for these fracture intensity intervals has been identified between holes. Based on these results the fracture frequency has been calculated in each rock domain for the

  2. Statistical model of fractures and deformations zones for Forsmark. Preliminary site description Forsmark area - version 1.2

    International Nuclear Information System (INIS)

    La Pointe, Paul R.; Olofsson, Isabelle; Hermanson, Jan

    2005-04-01

    Compared to version 1.1, a much larger amount of data especially from boreholes is available. Both one-hole interpretation and Boremap indicate the presence of high and low fracture intensity intervals in the rock mass. The depth and width of these intervals varies from borehole to borehole but these constant fracture intensity intervals are contiguous and present quite sharp transitions. There is not a consistent pattern of intervals of high fracture intensity at or near to the surface. In many cases, the intervals of highest fracture intensity are considerably below the surface. While some fractures may have occurred or been reactivated in response to surficial stress relief, surficial stress relief does not appear to be a significant explanatory variable for the observed variations in fracture intensity. Data from the high fracture intensity intervals were extracted and statistical analyses were conducted in order to identify common geological factors. Stereoplots of fracture orientation versus depth for the different fracture intensity intervals were also produced for each borehole. Moreover percussion borehole data were analysed in order to identify the persistence of these intervals throughout the model volume. The main conclusions of these analyses are the following: The fracture intensity is conditioned by the rock domain, but inside a rock domain intervals of high and low fracture intensity are identified. The intervals of high fracture intensity almost always correspond to intervals with distinct fracture orientations (whether a set, most often the NW sub-vertical set, is highly dominant, or some orientation sets are missing). These high fracture intensity intervals are positively correlated to the presence of first and second generation minerals (epidote, calcite). No clear correlation for these fracture intensity intervals has been identified between holes. Based on these results the fracture frequency has been calculated in each rock domain for the

  3. Ultrasound assisted synthesis of nanocrystalline zinc oxide: Experiments and modelling

    Energy Technology Data Exchange (ETDEWEB)

    Hosni, Mongia [Laboratoire des Sciences des Procédés et des Matériaux, LSPM-CNRS, Université Paris 13, 99 av. J.B. Clément, 93430 Villetaneuse (France); Farhat, Samir, E-mail: farhat@lspm.cnrs.fr [Laboratoire des Sciences des Procédés et des Matériaux, LSPM-CNRS, Université Paris 13, 99 av. J.B. Clément, 93430 Villetaneuse (France); Schoenstein, Frederic; Karmous, Farah; Jouini, Noureddine [Laboratoire des Sciences des Procédés et des Matériaux, LSPM-CNRS, Université Paris 13, 99 av. J.B. Clément, 93430 Villetaneuse (France); Viana, Bruno [LCMCP Chimie-Paristech, UPMC, Collège de France, 11 Rue Pierre et Marie Curie, 75231 Paris Cedex 05 (France); Mgaidi, Arbi [Laboratoire de chimie minérale industrielle université Tunis el Manar (Tunisia)

    2014-12-05

    Highlights: • ZnO nanospheres and nanowires were grown using ultrasound and thermal activation techniques. • The growth uses forced hydrolysis of zinc acetate in diethylene glycol (DEG). • A thermochemical model was developed based on thermodynamic equilibrium calculations. • We estimate species distribution in the bubble in temperature range from 5000 K to ambient. • We propose a new mechanism for ZnO growth assisted by ultrasound irradiation. - Abstract: A fast and green approach is proposed for the preparation of nanocrystalline zinc oxide (ZnO) via ultrasonic (US) irradiation in polyol medium. The process uses forced hydrolysis of zinc acetate in diethylene glycol (DEG). The protocol is compared to thermal activation under the same chemical environment. The activation method is found to be playing a critical role in the selective synthesis of morphologically distinct nanostructures. As compared to thermally activated conventional polyol process, (US) permits to considerably reduce reaction time as well as size of particles. In addition, the shape of these nanoparticles was changed from long nanowires to small nanospheres, indicating different reaction mechanisms. To explain this difference, a thermochemical model was developed based on thermodynamic equilibrium calculations. The model estimate species distribution in the bubble in temperature range from 5000 K to ambient simulating quenching process during bubble formation and collapse. Our results indicate the presence of high density of zinc atoms that could be responsible of a high density of nucleation as compared to thermal activation.

  4. Ultrasound assisted synthesis of nanocrystalline zinc oxide: Experiments and modelling

    International Nuclear Information System (INIS)

    Hosni, Mongia; Farhat, Samir; Schoenstein, Frederic; Karmous, Farah; Jouini, Noureddine; Viana, Bruno; Mgaidi, Arbi

    2014-01-01

    Highlights: • ZnO nanospheres and nanowires were grown using ultrasound and thermal activation techniques. • The growth uses forced hydrolysis of zinc acetate in diethylene glycol (DEG). • A thermochemical model was developed based on thermodynamic equilibrium calculations. • We estimate species distribution in the bubble in temperature range from 5000 K to ambient. • We propose a new mechanism for ZnO growth assisted by ultrasound irradiation. - Abstract: A fast and green approach is proposed for the preparation of nanocrystalline zinc oxide (ZnO) via ultrasonic (US) irradiation in polyol medium. The process uses forced hydrolysis of zinc acetate in diethylene glycol (DEG). The protocol is compared to thermal activation under the same chemical environment. The activation method is found to be playing a critical role in the selective synthesis of morphologically distinct nanostructures. As compared to thermally activated conventional polyol process, (US) permits to considerably reduce reaction time as well as size of particles. In addition, the shape of these nanoparticles was changed from long nanowires to small nanospheres, indicating different reaction mechanisms. To explain this difference, a thermochemical model was developed based on thermodynamic equilibrium calculations. The model estimate species distribution in the bubble in temperature range from 5000 K to ambient simulating quenching process during bubble formation and collapse. Our results indicate the presence of high density of zinc atoms that could be responsible of a high density of nucleation as compared to thermal activation

  5. A comprehensive experimental and modeling study of isobutene oxidation

    KAUST Repository

    Zhou, Chong-Wen

    2016-03-17

    Isobutene is an important intermediate in the pyrolysis and oxidation of higher-order branched alkanes, and it is also a component of commercial gasolines. To better understand its combustion characteristics, a series of ignition delay time (IDT) and laminar flame speed (LFS) measurements have been performed. In addition, flow reactor speciation data recorded for the pyrolysis and oxidation of isobutene is also reported. Predictions of an updated kinetic model described herein are compared with each of these data sets, as well as with existing jet-stirred reactor (JSR) species measurements. IDTs of isobutene oxidation were measured in four different shock tubes and in two rapid compression machines (RCMs) under conditions of relevance to practical combustors. The combination of shock tube and RCM data greatly expands the range of available validation data for isobutene oxidation models to pressures of 50 atm and temperatures in the range 666–1715 K. Isobutene flame speeds were measured experimentally at 1 atm and at unburned gas temperatures of 298–398 K over a wide range of equivalence ratios. For the flame speed results, there was good agreement between different facilities and the current model in the fuel-rich region. Ab initio chemical kinetics calculations were carried out to calculate rate constants for important reactions such as H-atom abstraction by hydroxyl and hydroperoxyl radicals and the decomposition of 2-methylallyl radicals. A comprehensive chemical kinetic mechanism has been developed to describe the combustion of isobutene and is validated by comparison to the presently considered experimental measurements. Important reactions, highlighted via flux and sensitivity analyses, include: (a) hydrogen atom abstraction from isobutene by hydroxyl and hydroperoxyl radicals, and molecular oxygen; (b) radical–radical recombination reactions, including 2-methylallyl radical self-recombination, the recombination of 2-methylallyl radicals with

  6. Phase-field modeling of corrosion kinetics under dual-oxidants

    Science.gov (United States)

    Wen, You-Hai; Chen, Long-Qing; Hawk, Jeffrey A.

    2012-04-01

    A phase-field model is proposed to simulate corrosion kinetics under a dual-oxidant atmosphere. It will be demonstrated that the model can be applied to simulate corrosion kinetics under oxidation, sulfidation and simultaneous oxidation/sulfidation processes. Phase-dependent diffusivities are incorporated in a natural manner and allow more realistic modeling as the diffusivities usually differ by many orders of magnitude in different phases. Simple free energy models are then used for testing the model while calibrated free energy models can be implemented for quantitative modeling.

  7. Mathematical modeling of oxygen transport in solid oxide fuel cells

    Energy Technology Data Exchange (ETDEWEB)

    Svensson, Ann Mari

    1997-12-31

    This thesis develops mathematical models to describe the electrochemical performance of a solid oxide fuel cell cathode based on electrochemical kinetics and mass transfer. The individual effects of various coupled processes are investigated. A one-dimensional model is developed based on porous electrode theory. Two different mechanisms are investigated for the charge transfer reaction. One of these assumes that intermediately adsorbed oxygen atoms are reduced at the electrode/electrolyte interface, similar to the models proposed for metal electrodes. Simulated polarization curves exhibit limited currents due to depletion of oxygen adsorbates at high cathodic overvoltages. An empirical correlation is confirmed to exist between the limiting current an the oxygen partial pressure, however, a similar correlation often assumed to exist between the measured polarization resistance and the oxygen partial pressure could not be justified. For the other model, oxygen vacancies are assumed to be exchanged directly at the electrode/electrolyte interface. The electrochemical behaviour is improved by reducing the oxygen partial pressure, due to increased vacancy concentration of the electrode material. Simulated polarization curves exhibit Tafel-like slopes in the cathodic direction, which are due to polarization concentration, and not activation polarization in the conventional sense. Anodic limiting currents are predicted due to lack of available free sites for vacancy exchange at the cathode side. The thesis also presents a theoretical treatment of current and potential distributions in simple two-dimensional cell geometries, and a two-dimensional model for a porous electrode-electrolyte system for investigation of the effect of interfacial diffusion of adsorbates along the electrode/electrolyte interface. 172 refs., 60 figs., 11 tabs.

  8. Modeling of the Nitric Oxide Transport in the Human Lungs.

    Science.gov (United States)

    Karamaoun, Cyril; Van Muylem, Alain; Haut, Benoît

    2016-01-01

    In the human lungs, nitric oxide (NO) acts as a bronchodilatator, by relaxing the bronchial smooth muscles and is closely linked to the inflammatory status of the lungs, owing to its antimicrobial activity. Furthermore, the molar fraction of NO in the exhaled air has been shown to be higher for asthmatic patients than for healthy patients. Multiple models have been developed in order to characterize the NO dynamics in the lungs, owing to their complex structure. Indeed, direct measurements in the lungs are difficult and, therefore, these models are valuable tools to interpret experimental data. In this work, a new model of the NO transport in the human lungs is proposed. It belongs to the family of the morphological models and is based on the morphometric model of Weibel (1963). When compared to models published previously, its main new features are the layered representation of the wall of the airways and the possibility to simulate the influence of bronchoconstriction (BC) and of the presence of mucus on the NO transport in lungs. The model is based on a geometrical description of the lungs, at rest and during a respiratory cycle, coupled with transport equations, written in the layers composing an airway wall and in the lumen of the airways. First, it is checked that the model is able to reproduce experimental information available in the literature. Second, the model is used to discuss some features of the NO transport in healthy and unhealthy lungs. The simulation results are analyzed, especially when BC has occurred in the lungs. For instance, it is shown that BC can have a significant influence on the NO transport in the tissues composing an airway wall. It is also shown that the relation between BC and the molar fraction of NO in the exhaled air is complex. Indeed, BC might lead to an increase or to a decrease of this molar fraction, depending on the extent of the BC and on the possible presence of mucus. This should be confirmed experimentally and might

  9. Rock mechanics site descriptive model-theoretical approach. Preliminary site description Forsmark area - version 1.2

    Energy Technology Data Exchange (ETDEWEB)

    Fredriksson, Anders; Olofsson, Isabelle [Golder Associates AB, Uppsala (Sweden)

    2005-12-15

    The present report summarises the theoretical approach to estimate the mechanical properties of the rock mass in relation to the Preliminary Site Descriptive Modelling, version 1.2 Forsmark. The theoretical approach is based on a discrete fracture network (DFN) description of the fracture system in the rock mass and on the results of mechanical testing of intact rock and on rock fractures. To estimate the mechanical properties of the rock mass a load test on a rock block with fractures is simulated with the numerical code 3DEC. The location and size of the fractures are given by DFN-realisations. The rock block was loaded in plain strain condition. From the calculated relationship between stresses and deformations the mechanical properties of the rock mass were determined. The influence of the geometrical properties of the fracture system on the mechanical properties of the rock mass was analysed by loading 20 blocks based on different DFN-realisations. The material properties of the intact rock and the fractures were kept constant. The properties are set equal to the mean value of each measured material property. The influence of the variation of the properties of the intact rock and variation of the mechanical properties of the fractures are estimated by analysing numerical load tests on one specific block (one DFN-realisation) with combinations of properties for intact rock and fractures. Each parameter varies from its lowest values to its highest values while the rest of the parameters are held constant, equal to the mean value. The resulting distribution was expressed as a variation around the value determined with mean values on all parameters. To estimate the resulting distribution of the mechanical properties of the rock mass a Monte-Carlo simulation was performed by generating values from the two distributions independent of each other. The two values were added and the statistical properties of the resulting distribution were determined.

  10. Rock mechanics site descriptive model-theoretical approach. Preliminary site description Forsmark area - version 1.2

    International Nuclear Information System (INIS)

    Fredriksson, Anders; Olofsson, Isabelle

    2005-12-01

    The present report summarises the theoretical approach to estimate the mechanical properties of the rock mass in relation to the Preliminary Site Descriptive Modelling, version 1.2 Forsmark. The theoretical approach is based on a discrete fracture network (DFN) description of the fracture system in the rock mass and on the results of mechanical testing of intact rock and on rock fractures. To estimate the mechanical properties of the rock mass a load test on a rock block with fractures is simulated with the numerical code 3DEC. The location and size of the fractures are given by DFN-realisations. The rock block was loaded in plain strain condition. From the calculated relationship between stresses and deformations the mechanical properties of the rock mass were determined. The influence of the geometrical properties of the fracture system on the mechanical properties of the rock mass was analysed by loading 20 blocks based on different DFN-realisations. The material properties of the intact rock and the fractures were kept constant. The properties are set equal to the mean value of each measured material property. The influence of the variation of the properties of the intact rock and variation of the mechanical properties of the fractures are estimated by analysing numerical load tests on one specific block (one DFN-realisation) with combinations of properties for intact rock and fractures. Each parameter varies from its lowest values to its highest values while the rest of the parameters are held constant, equal to the mean value. The resulting distribution was expressed as a variation around the value determined with mean values on all parameters. To estimate the resulting distribution of the mechanical properties of the rock mass a Monte-Carlo simulation was performed by generating values from the two distributions independent of each other. The two values were added and the statistical properties of the resulting distribution were determined

  11. Infrastructure Upgrades to Support Model Longevity and New Applications: The Variable Infiltration Capacity Model Version 5.0 (VIC 5.0)

    Science.gov (United States)

    Nijssen, B.; Hamman, J.; Bohn, T. J.

    2015-12-01

    The Variable Infiltration Capacity (VIC) model is a macro-scale semi-distributed hydrologic model. VIC development began in the early 1990s and it has been used extensively, applied from basin to global scales. VIC has been applied in a many use cases, including the construction of hydrologic data sets, trend analysis, data evaluation and assimilation, forecasting, coupled climate modeling, and climate change impact analysis. Ongoing applications of the VIC model include the University of Washington's drought monitor and forecast systems, and NASA's land data assimilation systems. The development of VIC version 5.0 focused on reconfiguring the legacy VIC source code to support a wider range of modern modeling applications. The VIC source code has been moved to a public Github repository to encourage participation by the model development community-at-large. The reconfiguration has separated the physical core of the model from the driver, which is responsible for memory allocation, pre- and post-processing and I/O. VIC 5.0 includes four drivers that use the same physical model core: classic, image, CESM, and Python. The classic driver supports legacy VIC configurations and runs in the traditional time-before-space configuration. The image driver includes a space-before-time configuration, netCDF I/O, and uses MPI for parallel processing. This configuration facilitates the direct coupling of streamflow routing, reservoir, and irrigation processes within VIC. The image driver is the foundation of the CESM driver; which couples VIC to CESM's CPL7 and a prognostic atmosphere. Finally, we have added a Python driver that provides access to the functions and datatypes of VIC's physical core from a Python interface. This presentation demonstrates how reconfiguring legacy source code extends the life and applicability of a research model.

  12. Glutamine prevents oxidative stress in a model of portal hypertension.

    Science.gov (United States)

    Zabot, Gilmara Pandolfo; Carvalhal, Gustavo Franco; Marroni, Norma Possa; Licks, Francielli; Hartmann, Renata Minuzzo; da Silva, Vinícius Duval; Fillmann, Henrique Sarubbi

    2017-07-07

    To evaluate the protective effects of glutamine in a model of portal hypertension (PH) induced by partial portal vein ligation (PPVL). Male Wistar rats were housed in a controlled environment and were allowed access to food and water ad libitum . Twenty-four male Wistar rats were divided into four experimental groups: (1) control group (SO) - rats underwent exploratory laparotomy; (2) control + glutamine group (SO + G) - rats were subjected to laparotomy and were treated intraperitoneally with glutamine; (3) portal hypertension group (PPVL) - rats were subjected to PPVL; and (4) PPVL + glutamine group (PPVL + G) - rats were treated intraperitoneally with glutamine for seven days. Local injuries were determined by evaluating intestinal segments for oxidative stress using lipid peroxidation and the activities of glutathione peroxidase (GPx), endothelial nitric oxide synthase (eNOS) and inducible nitric oxide synthase (iNOS) after PPVL. Lipid peroxidation of the membrane was increased in the animals subjected to PH ( P 0.05). The activity of the antioxidant enzyme GTx was decreased in the gut of animals subjected to PH compared with that in the control group of animals not subjected to PH ( P 0.05). At least 10 random, non-overlapping images of each histological slide with 200 × magnification (44 pixel = 1 μm) were captured. The sum means of all areas, of each group were calculated. The mean areas of eNOS staining for both of the control groups were similar. The PPVL group showed the largest area of staining for eNOS. The PPVL + G group had the second highest amount of staining, but the mean value was much lower than that of the PPVL group ( P < 0.01). For iNOS, the control (SO) and control + G (SO + G) groups showed similar areas of staining. The PPVL group contained the largest area of iNOS staining, followed by the PPVL + G group; however, this area was significantly smaller than that of the group that underwent PH without glutamine ( P < 0.01). Treatment with

  13. Transgenic Mouse Model for Reducing Oxidative Damage in Bone

    Science.gov (United States)

    Schreurs, A.-S.; Torres, S.; Truong, T.; Kumar, A.; Alwood, J. S.; Limoli, C. L.; Globus, R. K.

    2014-01-01

    Exposure to musculoskeletal disuse and radiation result in bone loss; we hypothesized that these catabolic treatments cause excess reactive oxygen species (ROS), and thereby alter the tight balance between bone resorption by osteoclasts and bone formation by osteoblasts, culminating in bone loss. To test this, we used transgenic mice which over-express the human gene for catalase, targeted to mitochondria (MCAT). Catalase is an anti-oxidant that converts the ROS hydrogen peroxide into water and oxygen. MCAT mice were shown previously to display reduced mitochondrial oxidative stress and radiosensitivity of the CNS compared to wild type controls (WT). As expected, MCAT mice expressed the transgene in skeletal tissue, and in marrow-derived osteoblasts and osteoclast precursors cultured ex vivo, and also showed greater catalase activity compared to wildtype (WT) mice (3-6 fold). Colony expansion in marrow cells cultured under osteoblastogenic conditions was 2-fold greater in the MCAT mice compared to WT mice, while the extent of mineralization was unaffected. MCAT mice had slightly longer tibiae than WT mice (2%, P less than 0.01), although cortical bone area was slightly lower in MCAT mice than WT mice (10%, p=0.09). To challenge the skeletal system, mice were treated by exposure to combined disuse (2 wk Hindlimb Unloading) and total body irradiation Cs(137) (2 Gy, 0.8 Gy/min), then bone parameters were analyzed by 2-factor ANOVA to detect possible interaction effects. Treatment caused a 2-fold increase (p=0.015) in malondialdehyde levels of bone tissue (ELISA) in WT mice, but had no effect in MCAT mice. These findings indicate that the transgene conferred protection from oxidative damage caused by treatment. Unexpected differences between WT and MCAT mice emerged in skeletal responses to treatment.. In WT mice, treatment did not alter osteoblastogenesis, cortical bone area, moment of inertia, or bone perimeter, whereas in MCAT mice, treatment increased these

  14. Finite element modelling of the oxidation kinetics of Zircaloy-4 with a controlled metal-oxide interface and the influence of growth stress

    International Nuclear Information System (INIS)

    Zumpicchiat, Guillaume; Pascal, Serge; Tupin, Marc; Berdin-Méric, Clotilde

    2015-01-01

    Highlights: We developed two finite element models of zirconium-based alloy oxidation using the CEA Cast3M code to simulate the oxidation kinetics of Zircaloy-4: the diffuse interface model and the sharp interface model. We also studied the effect of stresses on the oxidation kinetics. The main results are: • Both models lead to parabolic oxidation kinetics in agreement with the Wagner’s theory. • The modellings enable to calculate the stress distribution in the oxide as well as in the metal. • A strong effect of the hydrostatic stress on the oxidation kinetics has been evidenced. • The stress gradient effect changes the parabolic kinetics into a sub-parabolic law closer to the experimental kinetics because of the stress gradient itself, but also because of the growth stress increase with the oxide thickness. - Abstract: Experimentally, zirconium-based alloys oxidation kinetics is sub-parabolic, by contrast with the Wagner theory which predicts a parabolic kinetics. Two finite element models have been developed to simulate this phenomenon: the diffuse interface model and the sharp interface model. Both simulate parabolic oxidation kinetics. The growth stress effects on oxygen diffusion are studied to try to explain the gap between theory and experience. Taking into account the influence of the hydrostatic stress and its gradient into the oxygen flux expression, sub-parabolic oxidation kinetics have been simulated. The sub-parabolic behaviour of the oxidation kinetics can be explained by a non-uniform compressive stress level into the oxide layer.

  15. Modeling regional air quality and climate: improving organic aerosol and aerosol activation processes in WRF/Chem version 3.7.1

    Science.gov (United States)

    Yahya, Khairunnisa; Glotfelty, Timothy; Wang, Kai; Zhang, Yang; Nenes, Athanasios

    2017-06-01

    Air quality and climate influence each other through the uncertain processes of aerosol formation and cloud droplet activation. In this study, both processes are improved in the Weather, Research and Forecasting model with Chemistry (WRF/Chem) version 3.7.1. The existing Volatility Basis Set (VBS) treatments for organic aerosol (OA) formation in WRF/Chem are improved by considering the following: the secondary OA (SOA) formation from semi-volatile primary organic aerosol (POA), a semi-empirical formulation for the enthalpy of vaporization of SOA, and functionalization and fragmentation reactions for multiple generations of products from the oxidation of VOCs. Over the continental US, 2-month-long simulations (May to June 2010) are conducted and results are evaluated against surface and aircraft observations during the Nexus of Air Quality and Climate Change (CalNex) campaign. Among all the configurations considered, the best performance is found for the simulation with the 2005 Carbon Bond mechanism (CB05) and the VBS SOA module with semivolatile POA treatment, 25 % fragmentation, and the emissions of semi-volatile and intermediate volatile organic compounds being 3 times the original POA emissions. Among the three gas-phase mechanisms (CB05, CB6, and SAPRC07) used, CB05 gives the best performance for surface ozone and PM2. 5 concentrations. Differences in SOA predictions are larger for the simulations with different VBS treatments (e.g., nonvolatile POA versus semivolatile POA) compared to the simulations with different gas-phase mechanisms. Compared to the simulation with CB05 and the default SOA module, the simulations with the VBS treatment improve cloud droplet number concentration (CDNC) predictions (normalized mean biases from -40.8 % to a range of -34.6 to -27.7 %), with large differences between CB05-CB6 and SAPRC07 due to large differences in their OH and HO2 predictions. An advanced aerosol activation parameterization based on the Fountoukis and Nenes

  16. Versioning of printed products

    Science.gov (United States)

    Tuijn, Chris

    2005-01-01

    During the definition of a printed product in an MIS system, a lot of attention is paid to the production process. The MIS systems typically gather all process-related parameters at such a level of detail that they can determine what the exact cost will be to make a specific product. This information can then be used to make a quote for the customer. Considerably less attention is paid to the content of the products since this does not have an immediate impact on the production costs (assuming that the number of inks or plates is known in advance). The content management is typically carried out either by the prepress systems themselves or by dedicated workflow servers uniting all people that contribute to the manufacturing of a printed product. Special care must be taken when considering versioned products. With versioned products we here mean distinct products that have a number of pages or page layers in common. Typical examples are comic books that have to be printed in different languages. In this case, the color plates can be shared over the different versions and the black plate will be different. Other examples are nation-wide magazines or newspapers that have an area with regional pages or advertising leaflets in different languages or currencies. When considering versioned products, the content will become an important cost factor. First of all, the content management (and associated proofing and approval cycles) becomes much more complex and, therefore, the risk that mistakes will be made increases considerably. Secondly, the real production costs are very much content-dependent because the content will determine whether plates can be shared across different versions or not and how many press runs will be needed. In this paper, we will present a way to manage different versions of a printed product. First, we will introduce a data model for version management. Next, we will show how the content of the different versions can be supplied by the customer

  17. Physical chemistry and modelling of the sintering of actinide oxides

    International Nuclear Information System (INIS)

    Lechelle, Jacques

    2013-01-01

    This report gives a synthesis of the work I have carried out or to which I have numerically contributed to from 1996 up to 2012 in the Department of Plutonium Uranium and minor Actinides in Cadarache CEA Center. Their main goal is the study and the modeling of the sintering process of nuclear fuels which is the unifying thread of this document. Both in order to take into account the physical and chemical features of the actinide bearing oxide material and in order to combine the different transport phenomena leading to sintering, a sub-granular scale model is under development. Extension to a varying chemical composition as well as exchanges with the gaseous phase are foreseen. A simulation on a larger scale (pellet scale) is ongoing in the framework of a PhD thesis. Validation means have been tested with (U,Pu)O 2 material on the scale of the pellet (Small Angle Neutron Diffusion), on the scale of powder granules (X-Ray High Resolution Micro-Tomography) and with CeO 2 at the 'Institut de Chimie Separative' in Marcoule on a single crystal scale (Environmental Scanning Electron Microscope). The required microstructure homogeneity for nuclear fuels has led to a campaign of experimental studies about the role of Cr 2 O 3 as a sintering aid. Whole of these studies improve our understanding of fuel sintering and hence leads to an improved mastering of this process. (author) [fr

  18. Modeling of Alkane Oxidation Using Constituents and Species

    Science.gov (United States)

    Bellan, Jasette; Harstad, Kenneth G.

    2010-01-01

    It is currently not possible to perform simulations of turbulent reactive flows due in particular to complex chemistry, which may contain thousands of reactions and hundreds of species. This complex chemistry results in additional differential equations, making the numerical solution of the equation set computationally prohibitive. Reducing the chemical kinetics mathematical description is one of several important goals in turbulent reactive flow modeling. A chemical kinetics reduction model is proposed for alkane oxidation in air that is based on a parallel methodology to that used in turbulence modeling in the context of the Large Eddy Simulation. The objective of kinetic modeling is to predict the heat release and temperature evolution. This kinetic mechanism is valid over a pressure range from atmospheric to 60 bar, temperatures from 600 K to 2,500 K, and equivalence ratios from 0.125 to 8. This range encompasses diesel, HCCI, and gas-turbine engines, including cold ignition. A computationally efficient kinetic reduction has been proposed for alkanes that has been illustrated for n-heptane using the LLNL heptane mechanism. This model is consistent with turbulence modeling in that scales were first categorized into either those modeled or those computed as progress variables. Species were identified as being either light or heavy. The heavy species were decomposed into defined 13 constituents, and their total molar density was shown to evolve in a quasi-steady manner. The light species behave either in a quasi-steady or unsteady manner. The modeled scales are the total constituent molar density, Nc, and the molar density of the quasi-steady light species. The progress variables are the total constituent molar density rate evolution and the molar densities of the unsteady light species. The unsteady equations for the light species contain contributions of the type gain/loss rates from the heavy species that are modeled consistent with the developed mathematical

  19. Performance of advanced self-shielding models in DRAGON Version4 on analysis of a high conversion light water reactor lattice

    International Nuclear Information System (INIS)

    Karthikeyan, Ramamoorthy; Hebert, Alain

    2008-01-01

    A high conversion light water reactor lattice has been analysed using the code DRAGON Version4. This analysis was performed to test the performance of the advanced self-shielding models incorporated in DRAGON Version4. The self-shielding models are broadly classified into two groups - 'equivalence in dilution' and 'subgroup approach'. Under the 'equivalence in dilution' approach we have analysed the generalized Stamm'ler model with and without Nordheim model and Riemann integration. These models have been analysed also using the Livolant-Jeanpierre normalization. Under the 'subgroup approach', we have analysed Statistical self-shielding model based on physical probability tables and Ribon extended self-shielding model based on mathematical probability tables. This analysis will help in understanding the performance of advanced self-shielding models for a lattice that is tight and has a large fraction of fissions happening in the resonance region. The nuclear data for the analysis was generated in-house. NJOY99.90 was used for generating libraries in DRAGLIB format for analysis using DRAGON and A Compact ENDF libraries for analysis using MCNP5. The evaluated datafiles were chosen based on the recommendations of the IAEA Co-ordinated Research Project on the WIMS Library Update Project. The reference solution for the problem was obtained using Monte Carlo code MCNP5. It was found that the Ribon extended self-shielding model based on mathematical probability tables using correlation model performed better than all other models

  20. Version 2.0 of the European Gas Model. Changes and their impact on the German gas sector; Das europaeische Gas Target Model 2.0. Aenderungen und Auswirkungen auf den deutschen Gassektor

    Energy Technology Data Exchange (ETDEWEB)

    Balmert, David; Petrov, Konstantin [DNV GL, Bonn (Germany)

    2015-06-15

    In January 2015 ACER, the European Agency for the Cooperation of Energy Regulators, presented an updated version of its target model for the inner-European natural gas market, also referred to as version 2.0 of the Gas Target Model. During 2014 the existing model, originally developed by the Council of European Energy Regulators (CEER) and launched in 2011, had been analysed, revised and updated in preparation of the new version. While it has few surprises to offer, the new Gas Target Model contains specifies and goes into greater detail on many elements of the original model. Some of the new content is highly relevant to the German gas sector, not least the deliberations on the current key issues, which are security of supply and the ability of the gas markets to function.

  1. Nonlinear Model Predictive Control for Solid Oxide Fuel Cell System Based On Wiener Model

    OpenAIRE

    T. H. Lee; J. H. Park; S. M. Lee; S. C. Lee

    2010-01-01

    In this paper, we consider Wiener nonlinear model for solid oxide fuel cell (SOFC). The Wiener model of the SOFC consists of a linear dynamic block and a static output non-linearity followed by the block, in which linear part is approximated by state-space model and the nonlinear part is identified by a polynomial form. To control the SOFC system, we have to consider various view points such as operating conditions, another constraint conditions, change of load current and so on. A change of ...

  2. Novel Magnetic Zinc Oxide Nanotubes for Phenol Adsorption: Mechanism Modeling

    Directory of Open Access Journals (Sweden)

    Marwa F. Elkady

    2017-11-01

    Full Text Available Considering the great impact of a material’s surface area on adsorption processes, hollow nanotube magnetic zinc oxide with a favorable surface area of 78.39 m2/g was fabricated with the assistance of microwave technology in the presence of poly vinyl alcohol (PVA as a stabilizing agent followed by sonic precipitation of magnetite nano-particles. Scanning electron microscopy (SEM and transmission electron microscopy (TEM micrographs identified the nanotubes’ morphology in the synthesized material with an average aspect ratio of 3. X-ray diffraction (XRD analysis verified the combination of magnetite material with the hexagonal wurtzite structure of ZnO in the prepared material. The immobilization of magnetite nanoparticles on to ZnO was confirmed using vibrating sample magnetometry (VSM. The sorption affinity of the synthesized magnetic ZnO nanotube for phenolic compounds from aqueous solutions was examined as a function of various processing factors. The degree of acidity of the phenolic solution has great influence on the phenol sorption process on to magnetic ZnO. The calculated value of ΔH0 designated the endothermic nature of the phenol uptake process on to the magnetic ZnO nanotubes. Mathematical modeling indicated a combination of physical and chemical adsorption mechanisms of phenolic compounds on to the fabricated magnetic ZnO nanotubes. The kinetic process correlated better with the second-order rate model compared to the first-order rate model. This result indicates the predominance of the chemical adsorption process of phenol on to magnetic ZnO nanotubes.

  3. A conceptual and calculational model for gas formation from impure calcined plutonium oxides

    International Nuclear Information System (INIS)

    Lyman, John L.; Eller, P. Gary

    2000-01-01

    Safe transport and storage of pure and impure plutonium oxides requires an understanding of processes that may generate or consume gases in a confined storage vessel. We have formulated conceptual and calculational models for gas formation from calcined materials. The conceptual model for impure calcined plutonium oxides is based on the data collected to date

  4. Computer code SICHTA-85/MOD 1 for thermohydraulic and mechanical modelling of WWER fuel channel behaviour during LOCA and comparison with original version of the SICHTA code

    International Nuclear Information System (INIS)

    Bujan, A.; Adamik, V.; Misak, J.

    1986-01-01

    A brief description is presented of the expansion of the SICHTA-83 computer code for the analysis of the thermal history of the fuel channel for large LOCAs by modelling the mechanical behaviour of fuel element cladding. The new version of the code has a more detailed treatment of heat transfer in the fuel-cladding gap because it also respects the mechanical (plastic) deformations of the cladding and the fuel-cladding interaction (magnitude of contact pressure). Also respected is the change in pressure of the gas filling of the fuel element, the mechanical criterion is considered of a failure of the cladding and the degree is considered of the blockage of the through-flow cross section for coolant flow in the fuel channel. The LOCA WWER-440 model computation provides a comparison of the new SICHTA-85/MOD 1 code with the results of the original 83 version of SICHTA. (author)

  5. Photoelectrolysis at the oxide-electrolyte interface as interpreted through the 'transition' layer model

    Science.gov (United States)

    Kalia, R. K.; Weber, Michael F.; Schumacher, L.; Dignam, M. J.

    1980-12-01

    A transition layer model of the oxide-electrolyte interface, proposed earlier by one of us, is outlined and then examined in the light of experimental data relating primarily to photoelectrolysis of water at semiconducting oxide electrodes. The model provides useful insight into the behaviour of the system and allows a calculation of thc minimum bias potential needed for photoelectrolysis, thus illuminating the origin of the requirement for such an external bias. In order to electrolyse water without a bias, the model requires an n-type oxide to be sufficiently reduced so that it is thermodynamically capable of chemically reducing water to produce hydrogen at 1 atm pressure. Similarly, for bias-free operation, a p-type metal oxide must be thermodynamically unstable with respect to the release of oxygen at 1 atm pressure. In the face of these requirements it is apparent that oxide stability is bound to be in general a serious problem for nonstoichiometric single metal oxides.

  6. Modelling of low energy ion sputtering from oxide surfaces

    International Nuclear Information System (INIS)

    Kubart, T; Nyberg, T; Berg, S

    2010-01-01

    The main aim of this work is to present a way to estimate the values of surface binding energy for oxides. This is done by fitting results from the binary collisions approximation code Tridyn with data from the reactive sputtering processing curves, as well as the elemental composition obtained from x-ray photoelectron spectroscopy (XPS). Oxide targets of Al, Ti, V, Nb and Ta are studied. The obtained surface binding energies are then used to predict the partial sputtering yields. Anomalously high sputtering yield is observed for the TiO 2 target. This is attributed to the high sputtering yield of Ti lower oxides. Such an effect is not observed for the other studied metals. XPS measurement of the oxide targets confirms the formation of suboxides during ion bombardment as well as an oxygen deficient surface in the steady state. These effects are confirmed from the processing curves from the oxide targets showing an elevated sputtering rate in pure argon.

  7. The MELTSPREAD Code for Modeling of Ex-Vessel Core Debris Spreading Behavior, Code Manual – Version3-beta

    Energy Technology Data Exchange (ETDEWEB)

    Farmer, M. T. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2017-09-01

    MELTSPREAD3 is a transient one-dimensional computer code that has been developed to predict the gravity-driven flow and freezing behavior of molten reactor core materials (corium) in containment geometries. Predictions can be made for corium flowing across surfaces under either dry or wet cavity conditions. The spreading surfaces that can be selected are steel, concrete, a user-specified material (e.g., a ceramic), or an arbitrary combination thereof. The corium can have a wide range of compositions of reactor core materials that includes distinct oxide phases (predominantly Zr, and steel oxides) plus metallic phases (predominantly Zr and steel). The code requires input that describes the containment geometry, melt “pour” conditions, and cavity atmospheric conditions (i.e., pressure, temperature, and cavity flooding information). For cases in which the cavity contains a preexisting water layer at the time of RPV failure, melt jet breakup and particle bed formation can be calculated mechanistically given the time-dependent melt pour conditions (input data) as well as the heatup and boiloff of water in the melt impingement zone (calculated). For core debris impacting either the containment floor or previously spread material, the code calculates the transient hydrodynamics and heat transfer which determine the spreading and freezing behavior of the melt. The code predicts conditions at the end of the spreading stage, including melt relocation distance, depth and material composition profiles, substrate ablation profile, and wall heatup. Code output can be used as input to other models such as CORQUENCH that evaluate long term core-concrete interaction behavior following the transient spreading stage. MELTSPREAD3 was originally developed to investigate BWR Mark I liner vulnerability, but has been substantially upgraded and applied to other reactor designs (e.g., the EPR), and more recently to the plant accidents at Fukushima Daiichi. The most recent round of

  8. Cellular Automata Modelling of Photo-Induced Oxidation Processes in Molecularly Doped Polymers

    Directory of Open Access Journals (Sweden)

    David M. Goldie

    2016-11-01

    Full Text Available The possibility of employing cellular automata (CA to model photo-induced oxidation processes in molecularly doped polymers is explored. It is demonstrated that the oxidation dynamics generated using CA models exhibit stretched-exponential behavior. This dynamical characteristic is in general agreement with an alternative analysis conducted using standard rate equations provided the molecular doping levels are sufficiently low to prohibit the presence of safe-sites which are impenetrable to dissolved oxygen. The CA models therefore offer the advantage of exploring the effect of dopant agglomeration which is difficult to assess from standard rate equation solutions. The influence of UV-induced bleaching or darkening upon the resulting oxidation dynamics may also be easily incorporated into the CA models and these optical effects are investigated for various photo-oxidation product scenarios. Output from the CA models is evaluated for experimental photo-oxidation data obtained from a series of hydrazone-doped polymers.

  9. Radiolytic oxidation of propane: Computer modeling of the reaction scheme

    Science.gov (United States)

    Gupta, Avinash K.; Hanrahan, Robert J.

    The oxidation of gaseous propane under gamma radiolysis was studied at 100 torr pressure and 25°C, at oxygen pressures from 1 to 15 torr. Major oxygen-containing products and their G-values with 10% added oxygen are as follows: acetone, 0.98; i-propyl alcohol, 0.86; propionaldehyde, 0.43; n-propyl alcohol, 0.11; acrolein, 0.14; and allyl alcohol, 0.038. Minor products include i-butyl alcohol, t-amyl alcohol, n-butyl alcohol, n-amyl alcohol, and i-amyl alcohol. Small yields of i-hexyl alcohol and n-hexyl alcohol were also observed. There was no apparent difference in the G-values at pressures of 50, 100 and 150 torr. When the oxygen concentration was decreased below 5%, the yields of acetone, i-propyl alcohol, and n-propyl alcohol increased, the propionaldehyde yield decreased, and the yields of other products remained constant. The formation of major oxygen-containing products was explained on the basis that the alkyl radicals combine with molecular oxygen to give peroxyl radicals; the peroxyl radicals react with one another to give alkoxyl radicals, which in turn react with one another to form carbonyl compounds and alcohols. The reaction scheme for the formation of major products was examined using computer modeling based on a mechanism involving 28 reactions. Yields could be brought into agreement with the data within experimental error in nearly all cases.

  10. Towards a Predictive Thermodynamic Model of Oxidation States of Uranium Incorporated in Fe (hydr) oxides

    Energy Technology Data Exchange (ETDEWEB)

    Bagus, Paul S. [Univ. of North Texas, Denton, TX (United States)

    2013-01-01

    -Level Excited States: Consequences For X-Ray Absorption Spectroscopy”, J. Elec. Spectros. and Related Phenom., 200, 174 (2015) describes our first application of these methods. As well as applications to problems and materials of direct interest for our PNNL colleagues, we have pursued applications of fundamental theoretical significance for the analysis and interpretation of XPS and XAS spectra. These studies are important for the development of the fields of core-level spectroscopies as well as to advance our capabilities for applications of interest to our PNNL colleagues. An excellent example is our study of the surface core-level shifts, SCLS, for the surface and bulk atoms of an oxide that provides a new approach to understanding how the surface electronic of oxides differs from that in the bulk of the material. This work has the potential to lead to a new key to understanding the reactivity of oxide surfaces. Our theoretical studies use cluster models with finite numbers of atoms to describe the properties of condensed phases and crystals. This approach has allowed us to focus on the local atomistic, chemical interactions. For these clusters, we obtain orbitals and spinors through the solution of the Hartree-Fock, HF, and the fully relativistic Dirac HF equations. These orbitals are used to form configuration mixing wavefunctions which treat the many-body effects responsible for the open shell angular momentum coupling and for the satellites of the core-level spectra. Our efforts have been in two complementary directions. As well as the applications described above, we have placed major emphasis on the enhancement and extension of our theoretical and computational capabilities so that we can treat complex systems with a greater range of many-body effects. Noteworthy accomplishments in terms of method development and enhancement have included: (1) An improvement in our treatment of the large matrices that must be handled when many-body effects are treated. (2

  11. Mass transfer model for two-layer TBP oxidation reactions

    International Nuclear Information System (INIS)

    Laurinat, J.E.

    1994-01-01

    To prove that two-layer, TBP-nitric acid mixtures can be safely stored in the canyon evaporators, it must be demonstrated that a runaway reaction between TBP and nitric acid will not occur. Previous bench-scale experiments showed that, at typical evaporator temperatures, this reaction is endothermic and therefore cannot run away, due to the loss of heat from evaporation of water in the organic layer. However, the reaction would be exothermic and could run away if the small amount of water in the organic layer evaporates before the nitric acid in this layer is consumed by the reaction. Provided that there is enough water in the aqueous layer, this would occur if the organic layer is sufficiently thick so that the rate of loss of water by evaporation exceeds the rate of replenishment due to mixing with the aqueous layer. This report presents measurements of mass transfer rates for the mixing of water and butanol in two-layer, TBP-aqueous mixtures, where the top layer is primarily TBP and the bottom layer is comprised of water or aqueous salt solution. Mass transfer coefficients are derived for use in the modeling of two-layer TBP-nitric acid oxidation experiments. Three cases were investigated: (1) transfer of water into the TBP layer with sparging of both the aqueous and TBP layers, (2) transfer of water into the TBP layer with sparging of just the TBP layer, and (3) transfer of butanol into the aqueous layer with sparging of both layers. The TBP layer was comprised of 99% pure TBP (spiked with butanol for the butanol transfer experiments), and the aqueous layer was comprised of either water or an aluminum nitrate solution. The liquid layers were air sparged to simulate the mixing due to the evolution of gases generated by oxidation reactions. A plastic tube and a glass frit sparger were used to provide different size bubbles. Rates of mass transfer were measured using infrared spectrophotometers provided by SRTC/Analytical Development

  12. The Nexus Land-Use model version 1.0, an approach articulating biophysical potentials and economic dynamics to model competition for land-use

    Science.gov (United States)

    Souty, F.; Brunelle, T.; Dumas, P.; Dorin, B.; Ciais, P.; Crassous, R.; Müller, C.; Bondeau, A.

    2012-10-01

    Interactions between food demand, biomass energy and forest preservation are driving both food prices and land-use changes, regionally and globally. This study presents a new model called Nexus Land-Use version 1.0 which describes these interactions through a generic representation of agricultural intensification mechanisms within agricultural lands. The Nexus Land-Use model equations combine biophysics and economics into a single coherent framework to calculate crop yields, food prices, and resulting pasture and cropland areas within 12 regions inter-connected with each other by international trade. The representation of cropland and livestock production systems in each region relies on three components: (i) a biomass production function derived from the crop yield response function to inputs such as industrial fertilisers; (ii) a detailed representation of the livestock production system subdivided into an intensive and an extensive component, and (iii) a spatially explicit distribution of potential (maximal) crop yields prescribed from the Lund-Postdam-Jena global vegetation model for managed Land (LPJmL). The economic principles governing decisions about land-use and intensification are adapted from the Ricardian rent theory, assuming cost minimisation for farmers. In contrast to the other land-use models linking economy and biophysics, crops are aggregated as a representative product in calories and intensification for the representative crop is a non-linear function of chemical inputs. The model equations and parameter values are first described in details. Then, idealised scenarios exploring the impact of forest preservation policies or rising energy price on agricultural intensification are described, and their impacts on pasture and cropland areas are investigated.

  13. The Nexus Land-Use model version 1.0, an approach articulating biophysical potentials and economic dynamics to model competition for land-use

    Directory of Open Access Journals (Sweden)

    F. Souty

    2012-10-01

    Full Text Available Interactions between food demand, biomass energy and forest preservation are driving both food prices and land-use changes, regionally and globally. This study presents a new model called Nexus Land-Use version 1.0 which describes these interactions through a generic representation of agricultural intensification mechanisms within agricultural lands. The Nexus Land-Use model equations combine biophysics and economics into a single coherent framework to calculate crop yields, food prices, and resulting pasture and cropland areas within 12 regions inter-connected with each other by international trade. The representation of cropland and livestock production systems in each region relies on three components: (i a biomass production function derived from the crop yield response function to inputs such as industrial fertilisers; (ii a detailed representation of the livestock production system subdivided into an intensive and an extensive component, and (iii a spatially explicit distribution of potential (maximal crop yields prescribed from the Lund-Postdam-Jena global vegetation model for managed Land (LPJmL. The economic principles governing decisions about land-use and intensification are adapted from the Ricardian rent theory, assuming cost minimisation for farmers. In contrast to the other land-use models linking economy and biophysics, crops are aggregated as a representative product in calories and intensification for the representative crop is a non-linear function of chemical inputs. The model equations and parameter values are first described in details. Then, idealised scenarios exploring the impact of forest preservation policies or rising energy price on agricultural intensification are described, and their impacts on pasture and cropland areas are investigated.

  14. Modelling of oxidation and hydriding behaviour of Zircaloy-2 pressure tubes in PHWR

    International Nuclear Information System (INIS)

    Sah, D.N.; Sunil Kumar; Khan, K.B.

    2002-01-01

    A computer model named DOCTOR (Deuteriding of Coolant Tubes during Operation of Reactor) has been developed for predicting the axial profile of oxide thickness and hydrogen (Deuterium) concentration in PHWR pressure tubes. This model is applicable to single channel or full core analysis. The main source of hydrogen is considered to be oxidation of pressure tube on the i.d. surface by high temperature coolant water. Three stages of oxidation is considered namely, pre- transition, post transition and accelerated. Oxidation rate is considered to be dependent on channel power, axial power/flux distribution, coolant temperature and pre-existing oxide thickness at the location. The kinetics parameters for oxidation model are derived from the actual measurement of oxide thickness on a number of pressure tubes examined in PIE Division. The input data required for the model are: channel power, channel power factor, axial flux distribution, coolant inlet temperature, critical oxide thickness, hydrogen pick up fraction, initial hydrogen in the material and time of operation (efpy). The model calculates the oxide layer thickness on the inside surface of the pressure tube along the length. The amount of hydrogen picked up by the pressure tube is calculated from the oxide thickness using hydrogen pick up fraction determined from the PIE data. The pressure tube length is divided into a number of axial segments for calculation. The temperature and fast neutron flux assumed to be constant in a given segment. The axial temperature profile calculated from the axial power profile in the channel is used for calculating the oxidation rate at various locations in the pressure tube. The model has been validated with PIE data of hydrogen equivalent measurement on a number of irradiated Zircaloy-2 pressure tubes of various PHWRs. The performance of the model in predicting the axial profile of hydrogen in the pressure tubes has been found to be good. (author)

  15. MATILDA Version 2: Rough Earth TIALD Model for Laser Probabilistic Risk Assessment in Hilly Terrain - Part I

    Science.gov (United States)

    2017-03-13

    support of airborne laser designator use during test and training exercises on military ranges. The initial MATILDA tool, MATILDA PRO Version-1.6.1...2]. The use of the ALARP principle in UK hazard assessment arises from the provisions of the UK Health and Safety at Work Act of 1974 [18]. Given...The product of the probabilistic fault/failure laser hazard analysis is the ex- pectation value: the likelihood that an unprotected observer outside

  16. Wavenumber dependent investigation of the terrestrial infrared radiation budget with two versions of the LOWTRAN5 band model

    Science.gov (United States)

    Charlock, T. P.

    1984-01-01

    Two versions of the LOWTRAN5 radiance code are used in a study of the earth's clear sky infrared radiation budget in the interval 30 per cm (333.3 microns) to 3530 per cm (2.8 microns). One version uses 5 per cm resolution and temperature dependent molecular absorption coefficients, and the second uses 20 per cm resolution and temperature independent molecular absorption coefficients. Both versions compare well with Nimbus 3 IRIS spectra, with some discrepancies at particular wavenumber intervals. Up and downgoing fluxes, calculated as functions of latitude, are displayed for wavenumbers at which the principle absorbers are active. Most of the variation of the fluxes with latitude is found in the higher wavenumber intervals for both clear and cloudy skies. The main features of the wavenumber integrated cooling rates are explained with reference to calculations in more restricted wavenumber intervals. A tropical lower tropospheric cooling maximum is produced by water vapor continuum effects in the 760-1240 per cm window. A secondary upper tropospheric cooling maximum, with wide meridional extent, is produced by water vapor rotational lines between 30-430 per cm. Water vapor lines throughout the terrestrial infrared spectrum prevent the upflux maximum from coinciding with the surface temperature maximum.

  17. Impact of oxide thickness on gate capacitance – Modelling and ...

    Indian Academy of Sciences (India)

    Department of Electronics and Communication Engineering, National ... conventional HEMT, Schottky barrier diode is formed at the gate electrode. .... term corresponds to the energy required for the electric field in the oxide layer and the.

  18. Modelling the change in the oxidation coefficient during the aerobic ...

    African Journals Online (AJOL)

    2013-01-20

    Jan 20, 2013 ... activated sludge in batch reactors under different initial phenol concentrations. ... wet air oxidation, ozonation, non-catalytic, catalytic and ... design of aeration devices. ... using an open (flowing gas/static liquid) respirometer.

  19. PVWatts Version 5 Manual

    Energy Technology Data Exchange (ETDEWEB)

    Dobos, A. P.

    2014-09-01

    The NREL PVWatts calculator is a web application developed by the National Renewable Energy Laboratory (NREL) that estimates the electricity production of a grid-connected photovoltaic system based on a few simple inputs. PVWatts combines a number of sub-models to predict overall system performance, and makes includes several built-in parameters that are hidden from the user. This technical reference describes the sub-models, documents assumptions and hidden parameters, and explains the sequence of calculations that yield the final system performance estimate. This reference is applicable to the significantly revised version of PVWatts released by NREL in 2014.

  20. Modelling nitrous oxide emissions from cropland at the regional scale

    Directory of Open Access Journals (Sweden)

    Gabrielle Benoît

    2006-11-01

    Full Text Available Arable soils are a large source of nitrous oxide (N2O emissions, making up half of the biogenic emissions worldwide. Estimating their source strength requires methods capable of capturing the spatial and temporal variability of N2O emissions, along with the effects of crop management. Here, we applied a process-based model, CERES, with geo-referenced input data on soils, weather, and land use to map N2O emissions from wheat-cropped soils in three agriculturally intensive regions in France. Emissions were mostly controlled by soil type and local climate conditions, and only to a minor extent by the doses of fertilizer nitrogen applied. As a result, the direct emission factors calculated at the regional level were much smaller (ranging from 0.0007 to 0.0033 kg N2O-N kg–1 N than the value of 0.0125 kg N2O-N kg–1 N currently recommended in the IPCC Tier 1 methodology. Regional emissions were far more sensitive to the soil microbiological parameter s governing denitrification and its fraction evolved as N2O, soil bulk density, and soil initial inorganic N content. Mitigation measures should therefore target a reduction in the amount of soil inorganic N upon sowing of winter crops, and a decrease of the soil N2O production potential itself. From a general perspective, taking into account the spatial variability of soils and climate thereby appears necessary to improve the accuracy of national inventories, and to tailor mitigation strategies to regional characteristics. The methodology and results presented here may easily be transferred to winter oilseed rape, whose has growing cycle and fertilser requirements are similar.

  1. A kinetic model of municipal sludge degradation during non-catalytic wet oxidation.

    Science.gov (United States)

    Prince-Pike, Arrian; Wilson, David I; Baroutian, Saeid; Andrews, John; Gapes, Daniel J

    2015-12-15

    Wet oxidation is a successful process for the treatment of municipal sludge. In addition, the resulting effluent from wet oxidation is a useful carbon source for subsequent biological nutrient removal processes in wastewater treatment. Owing to limitations with current kinetic models, this study produced a kinetic model which predicts the concentrations of key intermediate components during wet oxidation. The model was regressed from lab-scale experiments and then subsequently validated using data from a wet oxidation pilot plant. The model was shown to be accurate in predicting the concentrations of each component, and produced good results when applied to a plant 500 times larger in size. A statistical study was undertaken to investigate the validity of the regressed model parameters. Finally the usefulness of the model was demonstrated by suggesting optimum operating conditions such that volatile fatty acids were maximised. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. Users' manual for LEHGC: A Lagrangian-Eulerian Finite-Element Model of Hydrogeochemical Transport Through Saturated-Unsaturated Media. Version 1.1

    International Nuclear Information System (INIS)

    Yeh, Gour-Tsyh

    1995-11-01

    The computer program LEHGC is a Hybrid Lagrangian-Eulerian Finite-Element Model of HydroGeo-Chemical (LEHGC) Transport Through Saturated-Unsaturated Media. LEHGC iteratively solves two-dimensional transport and geochemical equilibrium equations and is a descendant of HYDROGEOCHEM, a strictly Eulerian finite-element reactive transport code. The hybrid Lagrangian-Eulerian scheme improves on the Eulerian scheme by allowing larger time steps to be used in the advection-dominant transport calculations. This causes less numerical dispersion and alleviates the problem of calculated negative concentrations at sharp concentration fronts. The code also is more computationally efficient than the strictly Eulerian version. LEHGC is designed for generic application to reactive transport problems associated with contaminant transport in subsurface media. Input to the program includes the geometry of the system, the spatial distribution of finite elements and nodes, the properties of the media, the potential chemical reactions, and the initial and boundary conditions. Output includes the spatial distribution of chemical element concentrations as a function of time and space and the chemical speciation at user-specified nodes. LEHGC Version 1.1 is a modification of LEHGC Version 1.0. The modification includes: (1) devising a tracking algorithm with the computational effort proportional to N where N is the number of computational grid nodes rather than N 2 as in LEHGC Version 1.0, (2) including multiple adsorbing sites and multiple ion-exchange sites, (3) using four preconditioned conjugate gradient methods for the solution of matrix equations, and (4) providing a model for some features of solute transport by colloids

  3. Land Boundary Conditions for the Goddard Earth Observing System Model Version 5 (GEOS-5) Climate Modeling System: Recent Updates and Data File Descriptions

    Science.gov (United States)

    Mahanama, Sarith P.; Koster, Randal D.; Walker, Gregory K.; Takacs, Lawrence L.; Reichle, Rolf H.; De Lannoy, Gabrielle; Liu, Qing; Zhao, Bin; Suarez, Max J.

    2015-01-01

    The Earths land surface boundary conditions in the Goddard Earth Observing System version 5 (GEOS-5) modeling system were updated using recent high spatial and temporal resolution global data products. The updates include: (i) construction of a global 10-arcsec land-ocean lakes-ice mask; (ii) incorporation of a 10-arcsec Globcover 2009 land cover dataset; (iii) implementation of Level 12 Pfafstetter hydrologic catchments; (iv) use of hybridized SRTM global topography data; (v) construction of the HWSDv1.21-STATSGO2 merged global 30 arc second soil mineral and carbon data in conjunction with a highly-refined soil classification system; (vi) production of diffuse visible and near-infrared 8-day MODIS albedo climatologies at 30-arcsec from the period 2001-2011; and (vii) production of the GEOLAND2 and MODIS merged 8-day LAI climatology at 30-arcsec for GEOS-5. The global data sets were preprocessed and used to construct global raster data files for the software (mkCatchParam) that computes parameters on catchment-tiles for various atmospheric grids. The updates also include a few bug fixes in mkCatchParam, as well as changes (improvements in algorithms, etc.) to mkCatchParam that allow it to produce tile-space parameters efficiently for high resolution AGCM grids. The update process also includes the construction of data files describing the vegetation type fractions, soil background albedo, nitrogen deposition and mean annual 2m air temperature to be used with the future Catchment CN model and the global stream channel network to be used with the future global runoff routing model. This report provides detailed descriptions of the data production process and data file format of each updated data set.

  4. Behaviour of defective CANDU fuel: fuel oxidation kinetic and thermodynamic modelling

    International Nuclear Information System (INIS)

    Higgs, J.

    2005-01-01

    The thermal performance of operating CANDU fuel under defect conditions is affected by the ingress of heavy water into the fuel element. A mechanistic model has been developed to predict the extent of fuel oxidation in defective fuel and its affect on fuel thermal performance. A thermodynamic treatment of such oxidized fuel has been performed as a basis for the boundary conditions in the kinetic model. Both the kinetic and thermodynamic models have been benchmarked against recent experimental work. (author)

  5. Modeling Nitrous Oxide Production during Biological Nitrogen Removal via Nitrification and Denitrification: Extensions to the General ASM Models

    DEFF Research Database (Denmark)

    Ni, Bing-Jie; Ruscalleda, Maël; Pellicer i Nàcher, Carles

    2011-01-01

    on N2O production from four different mixed culture nitrification and denitrification reactor study reports. Modeling results confirm that hydroxylamine oxidation by ammonium oxidizers (AOB) occurs 10 times slower when NO2– participates as final electron acceptor compared to the oxic pathway. Among......Nitrous oxide (N2O) can be formed during biological nitrogen (N) removal processes. In this work, a mathematical model is developed that describes N2O production and consumption during activated sludge nitrification and denitrification. The well-known ASM process models are extended to capture N2O...

  6. Unified computational model of transport in metal-insulating oxide-metal systems

    Science.gov (United States)

    Tierney, B. D.; Hjalmarson, H. P.; Jacobs-Gedrim, R. B.; Agarwal, Sapan; James, C. D.; Marinella, M. J.

    2018-04-01

    A unified physics-based model of electron transport in metal-insulator-metal (MIM) systems is presented. In this model, transport through metal-oxide interfaces occurs by electron tunneling between the metal electrodes and oxide defect states. Transport in the oxide bulk is dominated by hopping, modeled as a series of tunneling events that alter the electron occupancy of defect states. Electron transport in the oxide conduction band is treated by the drift-diffusion formalism and defect chemistry reactions link all the various transport mechanisms. It is shown that the current-limiting effect of the interface band offsets is a function of the defect vacancy concentration. These results provide insight into the underlying physical mechanisms of leakage currents in oxide-based capacitors and steady-state electron transport in resistive random access memory (ReRAM) MIM devices. Finally, an explanation of ReRAM bipolar switching behavior based on these results is proposed.

  7. Transient dynamic and modeling parameter sensitivity analysis of 1D solid oxide fuel cell model

    International Nuclear Information System (INIS)

    Huangfu, Yigeng; Gao, Fei; Abbas-Turki, Abdeljalil; Bouquain, David; Miraoui, Abdellatif

    2013-01-01

    Highlights: • A multiphysics, 1D, dynamic SOFC model is developed. • The presented model is validated experimentally in eight different operating conditions. • Electrochemical and thermal dynamic transient time expressions are given in explicit forms. • Parameter sensitivity is discussed for different semi-empirical parameters in the model. - Abstract: In this paper, a multiphysics solid oxide fuel cell (SOFC) dynamic model is developed by using a one dimensional (1D) modeling approach. The dynamic effects of double layer capacitance on the electrochemical domain and the dynamic effect of thermal capacity on thermal domain are thoroughly considered. The 1D approach allows the model to predict the non-uniform distributions of current density, gas pressure and temperature in SOFC during its operation. The developed model has been experimentally validated, under different conditions of temperature and gas pressure. Based on the proposed model, the explicit time constant expressions for different dynamic phenomena in SOFC have been given and discussed in detail. A parameters sensitivity study has also been performed and discussed by using statistical Multi Parameter Sensitivity Analysis (MPSA) method, in order to investigate the impact of parameters on the modeling accuracy

  8. Extended-range prediction trials using the global cloud/cloud-system resolving model NICAM and its new ocean-coupled version NICOCO

    Science.gov (United States)

    Miyakawa, Tomoki

    2017-04-01

    The global cloud/cloud-system resolving model NICAM and its new fully-coupled version NICOCO is run on one of the worlds top-tier supercomputers, the K computer. NICOCO couples the full-3D ocean component COCO of the general circulation model MIROC using a general-purpose coupler Jcup. We carried out multiple MJO simulations using NICAM and the new ocean-coupled version NICOCO to examine their extended-range MJO prediction skills and the impact of ocean coupling. NICAM performs excellently in terms of MJO prediction, maintaining a valid skill up to 27 days after the model is initialized (Miyakawa et al 2014). As is the case in most global models, ocean coupling frees the model from being anchored by the observed SST and allows the model climate to drift away further from reality compared to the atmospheric version of the model. Thus, it is important to evaluate the model bias, and in an initial value problem such as the seasonal extended-range prediction, it is essential to be able to distinguish the actual signal from the early transition of the model from the observed state to its own climatology. Since NICAM is a highly resource-demanding model, evaluation and tuning of the model climatology (order of years) is challenging. Here we focus on the initial 100 days to estimate the early drift of the model, and subsequently evaluate MJO prediction skills of NICOCO. Results show that in the initial 100 days, NICOCO forms a La-Nina like SST bias compared to observation, with a warmer Maritime Continent warm pool and a cooler equatorial central Pacific. The enhanced convection over the Maritime Continent associated with this bias project on to the real-time multi-variate MJO indices (RMM, Wheeler and Hendon 2004), and contaminates the MJO skill score. However, the bias does not appear to demolish the MJO signal severely. The model maintains a valid MJO prediction skill up to nearly 4 weeks when evaluated after linearly removing the early drift component estimated from

  9. Generalized kinetic model of reduction of molecular oxidant by metal containing redox

    International Nuclear Information System (INIS)

    Kravchenko, T.A.

    1986-01-01

    Present work is devoted to kinetics of reduction of molecular oxidant by metal containing redox. Constructed generalized kinetic model of redox process in the system solid redox - reagent solution allows to perform the general theoretical approach to research and to obtain new results on kinetics and mechanism of interaction of redox with oxidants.

  10. Experimental kinetic study and modeling of calcium oxide carbonation

    International Nuclear Information System (INIS)

    Rouchon, L.

    2012-01-01

    Anthropogenic carbon dioxide (CO 2 ) emissions, major contributors to the greenhouse effect, are considered as the main cause of global warming. So, decrease of CO 2 emitted by large industrial combustion sources or power plants, is an important scientific goal. One of the approaches is based on CO 2 separation and capture from flue gas, followed by sequestration in a wide range of geological formations. In this aim, CO 2 is captured by sorbents like calcium oxide (CaO) in multi-cycle process of carbonation/de-carbonation. However, it was shown that the most important limitations of such process are related to the reversibility of reaction. CaO rapidly loses activity towards CO 2 , so the maximum extent of carbonation decreases as long as the number of cycles increases. In order to well understand the processes and parameters influencing the capture capacity of CaO-based sorbents, it appears important to get details on the kinetic law governing the reaction, which have not been really studied up to now. To investigate this reaction, CaO carbonation kinetics was followed by means of thermogravimetric analysis (TGA) on divided materials. Special care was given to the validation of the usual kinetic assumptions such as steady state and rate-determining step assumptions. The aim was to obtain a model describing the reaction in order to explain the influence of intensive variables such as carbonation temperature and CO 2 partial pressure. TGA curves obtained under isothermal and isobaric conditions showed an induction period linked to the nucleation process and a strong slowing down of the reaction rate once a given fractional conversion was reached. Both phenomena were observed to depend on carbonation temperature and CO 2 partial pressure. To explain these results, the evolution of texture and microstructure of the solid during the reaction was regarded as essential. Reaction at the grain scale induces a volume increase from CaO to CaCO 3 which causes a change in the

  11. Models for the Configuration and Integrity of Partially Oxidized Fuel Rod Cladding at High Temperatures

    International Nuclear Information System (INIS)

    Siefken, L.J.

    1999-01-01

    Models were designed to resolve deficiencies in the SCDAP/RELAP5/MOD3.2 calculations of the configuration and integrity of hot, partially oxidized cladding. These models are expected to improve the calculations of several important aspects of fuel rod behavior. First, an improved mapping was established from a compilation of PIE results from severe fuel damage tests of the configuration of melted metallic cladding that is retained by an oxide layer. The improved mapping accounts for the relocation of melted cladding in the circumferential direction. Then, rules based on PIE results were established for calculating the effect of cladding that has relocated from above on the oxidation and integrity of the lower intact cladding upon which it solidifies. Next, three different methods were identified for calculating the extent of dissolution of the oxidic part of the cladding due to its contact with the metallic part. The extent of dissolution effects the stress and thus the integrity of the oxidic part of the cladding. Then, an empirical equation was presented for calculating the stress in the oxidic part of the cladding and evaluating its integrity based on this calculated stress. This empirical equation replaces the current criterion for loss of integrity which is based on temperature and extent of oxidation. Finally, a new rule based on theoretical and experimental results was established for identifying the regions of a fuel rod with oxidation of both the inside and outside surfaces of the cladding. The implementation of these models is expected to eliminate the tendency of the SCDAP/RELAP5 code to overpredict the extent of oxidation of the upper part of fuel rods and to underpredict the extent of oxidation of the lower part of fuel rods and the part with a high concentration of relocated material. This report is a revision and reissue of the report entitled, Improvements in Modeling of Cladding Oxidation and Meltdown

  12. Metal Oxide Nanomaterial QNAR Models: Available Structural Descriptors and Understanding of Toxicity Mechanisms

    Directory of Open Access Journals (Sweden)

    Jiali Ying

    2015-10-01

    Full Text Available Metal oxide nanomaterials are widely used in various areas; however, the divergent published toxicology data makes it difficult to determine whether there is a risk associated with exposure to metal oxide nanomaterials. The application of quantitative structure activity relationship (QSAR modeling in metal oxide nanomaterials toxicity studies can reduce the need for time-consuming and resource-intensive nanotoxicity tests. The nanostructure and inorganic composition of metal oxide nanomaterials makes this approach different from classical QSAR study; this review lists and classifies some structural descriptors, such as size, cation charge, and band gap energy, in recent metal oxide nanomaterials quantitative nanostructure activity relationship (QNAR studies and discusses the mechanism of metal oxide nanomaterials toxicity based on these descriptors and traditional nanotoxicity tests.

  13. Modeling and Experimental Studies of Mercury Oxidation and Adsorption in a Fixed-Bed and Entrained-Flow Reactor

    Energy Technology Data Exchange (ETDEWEB)

    Buitrago, Paula A. [Univ. of Utah, Salt Lake City, UT (United States); Morrill, Mike [Univ. of Utah, Salt Lake City, UT (United States); Lighty, JoAnn S. [Univ. of Utah, Salt Lake City, UT (United States); Silcox, Geoffrey D. [Univ. of Utah, Salt Lake City, UT (United States)

    2009-06-01

    This report presents experimental and modeling mercury oxidation and adsorption data. Fixed-bed and single-particle models of mercury adsorption were developed. The experimental data were obtained with two reactors: a 300-W, methane-fired, tubular, quartz-lined reactor for studying homogeneous oxidation reactions and a fixed-bed reactor, also of quartz, for studying heterogeneous reactions. The latter was attached to the exit of the former to provide realistic combustion gases. The fixed-bed reactor contained one gram of coconut-shell carbon and remained at a temperature of 150°C. All methane, air, SO2, and halogen species were introduced through the burner to produce a radical pool representative of real combustion systems. A Tekran 2537A Analyzer coupled with a wet conditioning system provided speciated mercury concentrations. At 150°C and in the absence of HCl or HBr, the mercury uptake was about 20%. The addition of 50 ppm HCl caused complete capture of all elemental and oxidized mercury species. In the absence of halogens, SO2 increased the mercury adsorption efficiency to up to 30 percent. The extent of adsorption decreased with increasing SO2 concentration when halogens were present. Increasing the HCl concentration to 100 ppm lessened the effect of SO2. The fixed-bed model incorporates Langmuir adsorption kinetics and was developed to predict adsorption of elemental mercury and the effect of multiple flue gas components. This model neglects intraparticle diffusional resistances and is only applicable to pulverized carbon sorbents. It roughly describes experimental data from the literature. The current version includes the ability to account for competitive adsorption between mercury, SO2, and NO2. The single particle model simulates in-flight sorbent capture of elemental mercury. This model was developed to include Langmuir and Freundlich isotherms, rate equations, sorbent feed rate, and

  14. Modeling regional air quality and climate: improving organic aerosol and aerosol activation processes in WRF/Chem version 3.7.1

    Directory of Open Access Journals (Sweden)

    K. Yahya

    2017-06-01

    Full Text Available Air quality and climate influence each other through the uncertain processes of aerosol formation and cloud droplet activation. In this study, both processes are improved in the Weather, Research and Forecasting model with Chemistry (WRF/Chem version 3.7.1. The existing Volatility Basis Set (VBS treatments for organic aerosol (OA formation in WRF/Chem are improved by considering the following: the secondary OA (SOA formation from semi-volatile primary organic aerosol (POA, a semi-empirical formulation for the enthalpy of vaporization of SOA, and functionalization and fragmentation reactions for multiple generations of products from the oxidation of VOCs. Over the continental US, 2-month-long simulations (May to June 2010 are conducted and results are evaluated against surface and aircraft observations during the Nexus of Air Quality and Climate Change (CalNex campaign. Among all the configurations considered, the best performance is found for the simulation with the 2005 Carbon Bond mechanism (CB05 and the VBS SOA module with semivolatile POA treatment, 25 % fragmentation, and the emissions of semi-volatile and intermediate volatile organic compounds being 3 times the original POA emissions. Among the three gas-phase mechanisms (CB05, CB6, and SAPRC07 used, CB05 gives the best performance for surface ozone and PM2. 5 concentrations. Differences in SOA predictions are larger for the simulations with different VBS treatments (e.g., nonvolatile POA versus semivolatile POA compared to the simulations with different gas-phase mechanisms. Compared to the simulation with CB05 and the default SOA module, the simulations with the VBS treatment improve cloud droplet number concentration (CDNC predictions (normalized mean biases from −40.8 % to a range of −34.6 to −27.7 %, with large differences between CB05–CB6 and SAPRC07 due to large differences in their OH and HO2 predictions. An advanced aerosol activation

  15. Models for solid oxide fuel cell systems exploitation of models hierarchy for industrial design of control and diagnosis strategies

    CERN Document Server

    Marra, Dario; Polverino, Pierpaolo; Sorrentino, Marco

    2016-01-01

    This book presents methodologies for optimal design of control and diagnosis strategies for Solid Oxide Fuel Cell systems. A key feature of the methodologies presented is the exploitation of modelling tools that balance accuracy and computational burden.

  16. Three model systems measure oxidation/nitration damage caused ...

    Indian Academy of Sciences (India)

    Unknown

    caused by peroxynitrite ... (OONO–) or its carbon dioxide derivatives cause oxidation/nitration and hence mutation to various body poly- mers e.g. .... The work described in this paper is quite brief due to ex- ... exact way to balance the dose of antioxidants in mixtures ... tralizing conditions the half-life of OONO– is less than.

  17. Ammonia-oxidizing bacteria: A model for molecular microbial ecology

    NARCIS (Netherlands)

    Kowalchuk, G.A.; Stephen, J.R.

    2001-01-01

    The eutrophication of many ecosystems in recent decades has led to an increased interest in the ecology of nitrogen transformation. Chemolitho-autotrophic ammonia-oxidizing bacteria are responsible for the rate-limiting step of nitrification in a wide variety of environments, making them important

  18. Ab Initio Thermodynamic Modeling of Electrified Metal-Oxide Interfaces

    DEFF Research Database (Denmark)

    Zeng, Zhenhua; Hansen, Martin Hangaard; Greeley, Jeff

    2015-01-01

    Solid oxide fuel cells are attractive devices in a sustainable energy context because of their fuel flexibility and potentially highly efficient conversion of chemical to electrical energy. The performance of the device is to a large extent determined by the atomic structure of the electrode-elec...

  19. Oxidation Phenomena in Advanced High Strength Steels : Modelling and Experiment

    NARCIS (Netherlands)

    Mao, W.

    2018-01-01

    Galvanized advanced high strength steels (AHSS) will be the most competitive structural material for automotive applications in the next decade. Oxidation of AHSS during the recrystalization annealing process in a continuous galvanizing line to a large extent influences the quality of zinc coating

  20. Employing RADIANCE to refine indoor photocatalytic oxidation modeling

    NARCIS (Netherlands)

    Pelzers, R.S.; Yu, Q.; Mangkuto, R.A.; Brouwers, H.J.H.

    2013-01-01

    Indoor air quality (IAQ) gained great attention in the last years as one of the foremost environmental concerns and it is therefore imperative that effective methods are developed to conserve IAQ. Currently, the novel technology photocatalytic oxidation (PCO) is a potential alternative. A

  1. Reconstructions of f(T) gravity from entropy-corrected holographic and new agegraphic dark energy models in power-law and logarithmic versions

    Energy Technology Data Exchange (ETDEWEB)

    Saha, Pameli; Debnath, Ujjal [Indian Institute of Engineering Science and Technology, Department of Mathematics, Howrah (India)

    2016-09-15

    Here, we peruse cosmological usage of the most promising candidates of dark energy in the framework of f(T) gravity theory where T represents the torsion scalar teleparallel gravity. We reconstruct the different f(T) modified gravity models in the spatially flat Friedmann-Robertson-Walker universe according to entropy-corrected versions of the holographic and new agegraphic dark energy models in power-law and logarithmic corrections, which describe an accelerated expansion history of the universe. We conclude that the equation of state parameter of the entropy-corrected models can transit from the quintessence state to the phantom regime as indicated by recent observations or can lie entirely in the phantom region. Also, using these models, we investigate the different areas of the stability with the help of the squared speed of sound. (orig.)

  2. Pulmonary oxidative stress, inflammation and dysregulated iron homeostatis in rat models of cardiovascular disease

    Science.gov (United States)

    Underlying cardiovascular disease (CVD) is considered a risk factor for the exacerbation of air pollution health effects. Therefore, rodent models of CVD are increasingly used to examine mechanisms ofvariation in susceptibility. Pulmonary oxidative stress, inflammation and altere...

  3. Modelling ionising radiation induced defect generation in bipolar oxides with gated diodes

    International Nuclear Information System (INIS)

    Barnaby, H.J.; Cirba, C.; Schrimpf, R.D.; Kosier, St.; Fouillat, P.; Montagner, X.

    1999-01-01

    Radiation-induced oxide defects that degrade electrical characteristics of bipolar junction transistor (BJTs) can be measured with the use of gated diodes. The buildup of defects and their effect on device radiation response are modeled with computer simulation. (authors)

  4. The sagittal stem alignment and the stem version clearly influence the impingement-free range of motion in total hip arthroplasty: a computer model-based analysis.

    Science.gov (United States)

    Müller, Michael; Duda, Georg; Perka, Carsten; Tohtz, Stephan

    2016-03-01

    The component alignment in total hip arthroplasty influences the impingement-free range of motion (ROM). While substantiated data is available for the cup positioning, little is known about the stem alignment. Especially stem rotation and the sagittal alignment influence the position of the cone in relation to the edge of the socket and thus the impingement-free functioning. Hence, the question arises as to what influence do these parameters have on the impingement-free ROM? With the help of a computer model the influence of the sagittal stem alignment and rotation on the impingement-free ROM were investigated. The computer model was based on the CT dataset of a patient with a non-cemented THA. In the model the stem version was set at 10°/0°/-10° and the sagittal alignment at 5°/0°/-5°, which resulted in nine alternative stem positions. For each position, the maximum impingement-free ROM was investigated. Both stem version and sagittal stem alignment have a relevant influence on the impingement-free ROM. In particular, flexion and extension as well as internal and external rotation capability present evident differences. In the position intervals of 10° sagittal stem alignment and 20° stem version a difference was found of about 80° in the flexion and 50° in the extension capability. Likewise, differences were evidenced of up to 72° in the internal and up to 36° in the external rotation. The sagittal stem alignment and the stem torsion have a relevant influence on the impingement-free ROM. To clarify the causes of an impingement or accompanying problems, both parameters should be examined and, if possible, a combined assessment of these factors should be made.

  5. A mathematical model of bacteria capable of complete oxidation of ammonium predicts improved nitrogen removal and reduced production of nitrous oxide

    OpenAIRE

    Pokhilko, Alexandra; Ebenhöh, Oliver

    2017-01-01

    The removal of excess nutrients\\ud from water ecosystems requires oxidation of toxic\\ud ammonium by two types of bacteria; one oxidizes\\ud ammonium to nitrite and the other oxidizes nitrite\\ud to nitrate. The oxidation of ammonium is often\\ud incomplete and nitrite accumulates. Nitrite is also\\ud toxic, and is converted by the ammoniumoxidizing\\ud bacteria to nitrous oxide, a powerful\\ud greenhouse gas. Here we use mathematical\\ud modeling to analyze a potential solution to the\\ud problems re...

  6. Modelling of stable isotope fractionation by methane oxidation and diffusion in landfill cover soils

    International Nuclear Information System (INIS)

    Mahieu, Koenraad; De Visscher, Alex; Vanrolleghem, Peter A.; Van Cleemput, Oswald

    2008-01-01

    A technique to measure biological methane oxidation in landfill cover soils that is gaining increased interest is the measurement of stable isotope fractionation in the methane. Usually to quantify methane oxidation, only fractionation by oxidation is taken into account. Recently it was shown that neglecting the isotope fractionation by diffusion results in underestimation of the methane oxidation. In this study a simulation model was developed that describes gas transport and methane oxidation in landfill cover soils. The model distinguishes between 12 CH 4 , 13 CH 4 , and 12 CH 3 D explicitly, and includes isotope fractionation by diffusion and oxidation. To evaluate the model, the simulations were compared with column experiments from previous studies. The predicted concentration profiles and isotopic profiles match the measured ones very well, with a root mean square deviation (RMSD) of 1.7 vol% in the concentration and a RMSD of 0.8 per mille in the δ 13 C value, with δ 13 C the relative 13 C abundance as compared to an international standard. Overall, the comparison shows that a model-based isotope approach for the determination of methane oxidation efficiencies is feasible and superior to existing isotope methods

  7. Mathematical Modelling to Predict Oxidative Behaviour of Conjugated Linoleic Acid in the Food Processing Industry

    Directory of Open Access Journals (Sweden)

    Aitziber Ojanguren

    2013-06-01

    Full Text Available Industrial processes that apply high temperatures in the presence of oxygen may compromise the stability of conjugated linoleic acid (CLA bioactive isomers. Statistical techniques are used in this study to model and predict, on a laboratory scale, the oxidative behaviour of oil with high CLA content, controlling the limiting factors of food processing. This modelling aims to estimate the impact of an industrial frying process (140 °C, 7 L/h air on the oxidation of CLA oil for use as frying oil instead of sunflower oil. A factorial design was constructed within a temperature (80–200 °C and air flow (7–20 L/h range. Oil stability index (Rancimat method was used as a measure of oxidation. Three-level full factorial design was used to obtain a quadratic model for CLA oil, enabling the oxidative behaviour to be predicted under predetermined process conditions (temperature and air flow. It is deduced that temperatures applied in food processes affect the oxidation of CLA to a greater extent than air flow. As a result, it is estimated that the oxidative stability of CLA oil is less resistant to industrial frying than sunflower oil. In conclusion, thanks to the mathematical model, a good choice of the appropriate industrial food process can be selected to avoid the oxidation of the bioactive isomers of CLA, ensuring its functionality in novel applications.

  8. Developing and validating a tablet version of an illness explanatory model interview for a public health survey in Pune, India.

    Directory of Open Access Journals (Sweden)

    Joseph G Giduthuri

    Full Text Available BACKGROUND: Mobile electronic devices are replacing paper-based instruments and questionnaires for epidemiological and public health research. The elimination of a data-entry step after an interview is a notable advantage over paper, saving investigator time, decreasing the time lags in managing and analyzing data, and potentially improving the data quality by removing the error-prone data-entry step. Research has not yet provided adequate evidence, however, to substantiate the claim of fewer errors for computerized interviews. METHODOLOGY: We developed an Android-based illness explanatory interview for influenza vaccine acceptance and tested the instrument in a field study in Pune, India, for feasibility and acceptability. Error rates for tablet and paper were compared with reference to the voice recording of the interview as gold standard to assess discrepancies. We also examined the preference of interviewers for the classical paper-based or the electronic version of the interview and compared the costs of research with both data collection devices. RESULTS: In 95 interviews with household respondents, total error rates with paper and tablet devices were nearly the same (2.01% and 1.99% respectively. Most interviewers indicated no preference for a particular device; but those with a preference opted for tablets. The initial investment in tablet-based interviews was higher compared to paper, while the recurring costs per interview were lower with the use of tablets. CONCLUSION: An Android-based tablet version of a complex interview was developed and successfully validated. Advantages were not compromised by increased errors, and field research assistants with a preference preferred the Android device. Use of tablets may be more costly than paper for small samples and less costly for large studies.

  9. Constraints on Nitrous Oxide emissions within the US Corn Belt using tall tower observations and an Eulerian Modeling Approach

    Science.gov (United States)

    Chen, Z.; Griffis, T. J.; Lee, X.; Fu, C.; Dlugokencky, E. J.; Andrews, A. E.

    2017-12-01

    Mitigation of nitrous oxide (N2O) emissions requires a sound understanding of N2O production processes and a robust estimate of N2O budgets. It is critical to understand how emissions vary spatially and temporally, and how they are likely to change given future climate and land management decisions. To address these challenges we have coupled two models including WRF-Chem version 3.8.1 and CLM-GBC-CROP version 4.5 to simulate retrospective and future N2O emissions for the US Corn Belt. Using 7 years (2010-2016) of N2O mixing ratio data from 6 tall tower sites within the US Midwest, we ran the coupled model at a spatial resolution of 0.125o× 0.125o and tested and optimized the simulation of N2O emissions at hourly, seasonal, and inter-annual timescales. Our preliminary results indicate:1) The simulated tall tower mixing ratios for 6 tall towers were all significantly higher than the observations in the growing seasons, indicating a high bias of N2O emissions when using the default N2O production mechanisms in CLM. 2) Following the optimization of N2O production in CLM, the simulated tall tower mixing ratios were strongly correlated with the KCMP and WBI towers, and had moderate correlation with the BAO tower. Overall, the absolute biases in mixing ratios were relatively small. Our next step is to examine 7 years of simulations to assess the spatiotemporal variations of direct and indirect emissions within the US Corn Belt to help identify potential N2O hotspots and hot moments.

  10. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    Energy Technology Data Exchange (ETDEWEB)

    Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

    2015-01-30

    Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  11. Molecular modeling studies of oleate adsorption on iron oxides

    Energy Technology Data Exchange (ETDEWEB)

    Rath, Swagat S. [CSIR-Institute of Minerals and Materials Technology, Bhubaneswar (India); Sinha, Nishant [Accelrys K.K, Bengaluru (India); Sahoo, Hrushikesh [CSIR-Institute of Minerals and Materials Technology, Bhubaneswar (India); Das, Bisweswar, E-mail: bdas@immt.res.in [CSIR-Institute of Minerals and Materials Technology, Bhubaneswar (India); Mishra, Barada Kanta [CSIR-Institute of Minerals and Materials Technology, Bhubaneswar (India)

    2014-03-01

    Graphical abstract: - Highlights: • Plane wave periodic DFT study of oleate-iron oxide interaction. • Magnetite-oleate complex is more stable than hematite and goethite. • Flotation recovery of magnetite is more compared to the other two oxides. - Abstract: Comparative studies of oleate interaction with hematite, magnetite and goethite using density functional calculations are presented. The approach is illustrated by carrying out geometric optimization of oleate on the stable and most exposed planes of hematite, magnetite, and goethite. Interaction energies for oleate-mineral surface have been determined, based on which, magnetite is found to be forming the most stable complex with oleate. Trend as obtained from the quantum chemical calculations has been validated by contact angle measurements and flotation studies on hematite, magnetite and goethite with sodium oleate at different pH and collector concentrations.

  12. Molecular modeling studies of oleate adsorption on iron oxides

    International Nuclear Information System (INIS)

    Rath, Swagat S.; Sinha, Nishant; Sahoo, Hrushikesh; Das, Bisweswar; Mishra, Barada Kanta

    2014-01-01

    Graphical abstract: - Highlights: • Plane wave periodic DFT study of oleate-iron oxide interaction. • Magnetite-oleate complex is more stable than hematite and goethite. • Flotation recovery of magnetite is more compared to the other two oxides. - Abstract: Comparative studies of oleate interaction with hematite, magnetite and goethite using density functional calculations are presented. The approach is illustrated by carrying out geometric optimization of oleate on the stable and most exposed planes of hematite, magnetite, and goethite. Interaction energies for oleate-mineral surface have been determined, based on which, magnetite is found to be forming the most stable complex with oleate. Trend as obtained from the quantum chemical calculations has been validated by contact angle measurements and flotation studies on hematite, magnetite and goethite with sodium oleate at different pH and collector concentrations

  13. Mathematical Modeling of Wastewater Oxidation under Microgravity Conditions

    OpenAIRE

    Boyun Guo; Donald W. Holder; David S. Schechter

    2005-01-01

    Volatile removal assembly (VRA) is a module installed in the International Space Station for removing contaminants (volatile organics) in the wastewater produced by the crew. The VRA contains a slim pack bed reactor to perform catalyst oxidation of the wastewater at elevated pressure and temperature under microgravity conditions. Optimal design of the reactor requires a thorough understanding about how the reactor performs under microgravity conditions. The objective of this study was to theo...

  14. Pineapple Waste Extract for Preventing Oxidation in Model Food Systems.

    Science.gov (United States)

    Segovia Gómez, Francisco; Almajano Pablos, María Pilar

    2016-07-01

    Pineapple (Ananas comosus) is consumed in the form of chunks (canned), cubes, fruit salad, and also in juices, concentrates, and jams. In the processes to produce these products, the waste generated represents a high percentage of the total fruit. Some studies have shown that residues of certain fruits, such as pineapple, have the same antioxidant activity as the fruit pulp. So although these residues are discarded, they could be used as an alternative source of polyphenols, as natural antioxidants. This study is focused on the antioxidant activity of wastes obtained in the production of pineapple products and their application. The polyphenols' scavenging activity was determined by the oxygen radical antioxidant capacity assay. The antioxidant potential was determined in emulsions (o/w) and in muffins, where the primary oxidation products (by peroxide value, PV) and the secondary oxidation products (by thiobarbituric acid reactive substances) were analyzed. In addition the muffins were analyzed by means of a triangular sensory test. The PV method showed that pineapple waste extracts caused a reduction in oxidation products of 59% in emulsions and 91% in the muffins. The reduction in TBARs values for emulsions were 27% and for muffins were 51%. The triangular sensory test showed that the samples containing the extract were not distinguished from the control (α = 0.05). © 2016 Institute of Food Technologists®

  15. Modeling SOA formation from the oxidation of intermediate volatility n-alkanes

    Directory of Open Access Journals (Sweden)

    J. Lee-Taylor

    2012-08-01

    Full Text Available The chemical mechanism leading to SOA formation and ageing is expected to be a multigenerational process, i.e. a successive formation of organic compounds with higher oxidation degree and lower vapor pressure. This process is here investigated with the explicit oxidation model GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere. Gas phase oxidation schemes are generated for the C8–C24 series of n-alkanes. Simulations are conducted to explore the time evolution of organic compounds and the behavior of secondary organic aerosol (SOA formation for various preexisting organic aerosol concentration (COA. As expected, simulation results show that (i SOA yield increases with the carbon chain length of the parent hydrocarbon, (ii SOA yield decreases with decreasing COA, (iii SOA production rates increase with increasing COA and (iv the number of oxidation steps (i.e. generations needed to describe SOA formation and evolution grows when COA decreases. The simulated oxidative trajectories are examined in a two dimensional space defined by the mean carbon oxidation state and the volatility. Most SOA contributors are not oxidized enough to be categorized as highly oxygenated organic aerosols (OOA but reduced enough to be categorized as hydrocarbon like organic aerosols (HOA, suggesting that OOA may underestimate SOA. Results show that the model is unable to produce highly oxygenated aerosols (OOA with large yields. The limitations of the model are discussed.

  16. Numerical modelling of emissions of nitrogen oxides in solid fuel combustion.

    Science.gov (United States)

    Bešenić, Tibor; Mikulčić, Hrvoje; Vujanović, Milan; Duić, Neven

    2018-06-01

    Among the combustion products, nitrogen oxides are one of the main contributors to a negative impact on the environment, participating in harmful processes such as tropospheric ozone and acid rains production. The main source of emissions of nitrogen oxides is the human combustion of fossil fuels. Their formation models are investigated and implemented with the goal of obtaining a tool for studying the nitrogen-containing pollutant production. In this work, numerical simulation of solid fuel combustion was carried out on a three-dimensional model of a drop tube furnace by using the commercial software FIRE. It was used for simulating turbulent fluid flow and temperature field, concentrations of the reactants and products, as well as the fluid-particles interaction by numerically solving the integro-differential equations describing these processes. Chemical reactions mechanisms for the formation of nitrogen oxides were implemented by the user functions. To achieve reasonable calculation times for running the simulations, as well as efficient coupling with the turbulent mixing process, the nitrogen scheme is limited to sufficiently few homogeneous reactions and species. Turbulent fluctuations that affect the reaction rates of nitrogen oxides' concentration are modelled by probability density function approach. Results of the implemented model for nitrogen oxides' formation from coal and biomass are compared to the experimental data. Temperature, burnout and nitrogen oxides' concentration profiles are compared, showing satisfactory agreement. The new model allows the simulation of pollutant formation in the real-world applications. Copyright © 2018 Elsevier Ltd. All rights reserved.

  17. Calculation of Brown Carbon Optical Properties in the Fifth version Community Atmospheric Model (CAM5) and Validation with a Case Study in Kanpur, India

    Science.gov (United States)

    Xu, L.; Peng, Y.; Ram, K.

    2017-12-01

    The presence of absorbing component of organic carbon in atmospheric aerosols (Brown Carbon, BrC) has recently received much attention to the scientific community because of its absorbing nature, especially in the UV and Visible region. Attempts to account for BrC in radiative forcing calculations in climate model are rather scarce, primarily due to observational constrain as well as its incorporation in the model-based studies. Due to non-treatment of BrC in the off-line models, there exists a large discrepancy between model- and observational- based estimate of direct radiative effect of carbonaceous aerosols. In this study, we have included BrC absorption and optical characteristics in the fifth version of Community Atmospheric Model (CAM5) for the better understanding of radiative impact of BrC over northern India, also for improving the performance of aerosol radiative calculation in climate model. We have used the inputs of aerosol chemical composition measurements conducted at an urban site, Kanpur, in the Indo-Gangetic Plain (IGP) during 2007-2008 to construct the optical properties of BrC in CAM5 model. Model radiative simulations of sensitive tests showed good agreement with observations. Effects of varying imaginary part of BrC refractive index, relative mass ratio of BrC to organic aerosol in combination with core-shell mixing style of BrC with other anthropogenic aerosols are also analyzed for understanding BrC impact on simulated aerosol absorption in model.

  18. Cladding oxidation during air ingress. Part II: Synthesis of modelling results

    International Nuclear Information System (INIS)

    Beuzet, E.; Haurais, F.; Bals, C.; Coindreau, O.; Fernandez-Moguel, L.; Vasiliev, A.; Park, S.

    2016-01-01

    Highlights: • A state-of-the-art for air oxidation modelling in the frame of severe accident is done. • Air oxidation models from main severe accident codes are detailed. • Simulations from main severe accident codes are compared against experimental results. • Perspectives in terms of need for further model development and experiments are given. - Abstract: Air ingress is a potential risk in some low probable situations of severe accidents in a nuclear power plant. Air is a highly oxidizing atmosphere that can lead to an enhanced Zr-based cladding oxidation and core degradation affecting the release of fission products. This is particularly true speaking about ruthenium release, due to its high radiotoxicity and its ability to form highly volatile oxides in a significant manner in presence of air. The oxygen affinity is decreasing from the Zircaloy cladding, fuel and ruthenium inclusions. It is consequently of great need to understand the phenomena governing cladding oxidation by air as a prerequisite for the source term issues in such scenarios. In the past years, many works have been done on cladding oxidation by air under severe accident conditions. This paper with in addition the paper “Cladding oxidation during air ingress – Part I: Synthesis of experimental results” of this journal issue aim at assessing the state of the art on this phenomenon. In this paper, the modelling of air ingress phenomena in the main severe accident codes (ASTEC, ATHLET-CD, MAAP, MELCOR, RELAP/SCDAPSIM, SOCRAT) is described in details, as well as the validation against the integral experiments QUENCH-10, QUENCH-16 and PARAMETER-SF4. A full review of cladding oxidation by air is thus established.

  19. A new version of the CNRM Chemistry-Climate Model, CNRM-CCM: description and improvements from the CCMVal-2 simulations

    Directory of Open Access Journals (Sweden)

    M. Michou

    2011-10-01

    Full Text Available This paper presents a new version of the Météo-France CNRM Chemistry-Climate Model, so-called CNRM-CCM. It includes some fundamental changes from the previous version (CNRM-ACM which was extensively evaluated in the context of the CCMVal-2 validation activity. The most notable changes concern the radiative code of the GCM, and the inclusion of the detailed stratospheric chemistry of our Chemistry-Transport model MOCAGE on-line within the GCM. A 47-yr transient simulation (1960–2006 is the basis of our analysis. CNRM-CCM generates satisfactory dynamical and chemical fields in the stratosphere. Several shortcomings of CNRM-ACM simulations for CCMVal-2 that resulted from an erroneous representation of the impact of volcanic aerosols as well as from transport deficiencies have been eliminated.

    Remaining problems concern the upper stratosphere (5 to 1 hPa where temperatures are too high, and where there are biases in the NO2, N2O5 and O3 mixing ratios. In contrast, temperatures at the tropical tropopause are too cold. These issues are addressed through the implementation of a more accurate radiation scheme at short wavelengths. Despite these problems we show that this new CNRM CCM is a useful tool to study chemistry-climate applications.

  20. Fatty acid oxidation changes and the correlation with oxidative stress in different preeclampsia-like mouse models.

    Directory of Open Access Journals (Sweden)

    Xiaoyan Ding

    Full Text Available BACKGROUND: Long-chain 3-hydroxyacyl-CoA dehydrogenase (LCHAD expression is decreased in placenta of some cases of preeclampsia (PE which may result in free fatty acid (FFA increased. High FFA level will induce oxidative stress, so abnormal long-chain fatty acid-oxidation may participate in the pathogenesis of PE through oxidative stress pathway. METHODS: PE-like groups were ApoC3 transgenic mice with abnormal fatty acid metabolism, classical PE-like models with injection of Nw-nitro-L-arginine-methyl ester (L-NA or lipopolysaccharide (LPS and the antiphospholipid syndrome (APS mouse model with β2GPI injection (ApoC3+NS, ApoC3+L-NA, L-NA, LPS and β2GPI groups. The control group was wild-type mice with normal saline injection. Except for β2GPI mice, the other mice were subdivided into pre-implantation (Pre and mid-pregnancy (Mid subgroups by injection time. RESULTS: All PE-like groups showed hypertension and proteinuria except ApoC3+NS mice only showed hypertension. Serum FFA levels increased significantly except in LPS group compared to controls (P<0.05. LCHAD mRNA and protein expression in the liver and placenta was significantly higher for ApoC3+NS, ApoC3+L-NA and β2GPI mice and lower for L-NA mice than controls (P<0.05 but did not differ between LPS mice and controls. P47phox mRNA and protein expression in the liver significantly increased in all PE-like groups except LPS group, while P47phox expression in the placenta only significantly increased in L-NA and β2GPI groups. CONCLUSIONS: Abnormal long-chain fatty acid-oxidation may play a different role in different PE-like models and in some cases participate in the pathogenesis of PE through oxidative stress pathway.

  1. Development of 3D Oxide Fuel Mechanics Models

    Energy Technology Data Exchange (ETDEWEB)

    Spencer, B. W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Casagranda, A. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Pitts, S. A. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jiang, W. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2017-07-27

    This report documents recent work to improve the accuracy and robustness of the mechanical constitutive models used in the BISON fuel performance code. These developments include migration of the fuel mechanics models to be based on the MOOSE Tensor Mechanics module, improving the robustness of the smeared cracking model, implementing a capability to limit the time step size based on material model response, and improving the robustness of the return mapping iterations used in creep and plasticity models.

  2. Development of a new version of the Liverpool Malaria Model. I. Refining the parameter settings and mathematical formulation of basic processes based on a literature review

    Directory of Open Access Journals (Sweden)

    Jones Anne E

    2011-02-01

    Full Text Available Abstract Background A warm and humid climate triggers several water-associated diseases such as malaria. Climate- or weather-driven malaria models, therefore, allow for a better understanding of malaria transmission dynamics. The Liverpool Malaria Model (LMM is a mathematical-biological model of malaria parasite dynamics using daily temperature and precipitation data. In this study, the parameter settings of the LMM are refined and a new mathematical formulation of key processes related to the growth and size of the vector population are developed. Methods One of the most comprehensive studies to date in terms of gathering entomological and parasitological information from the literature was undertaken for the development of a new version of an existing malaria model. The knowledge was needed to allow the justification of new settings of various model parameters and motivated changes of the mathematical formulation of the LMM. Results The first part of the present study developed an improved set of parameter settings and mathematical formulation of the LMM. Important modules of the original LMM version were enhanced in order to achieve a higher biological and physical accuracy. The oviposition as well as the survival of immature mosquitoes were adjusted to field conditions via the application of a fuzzy distribution model. Key model parameters, including the mature age of mosquitoes, the survival probability of adult mosquitoes, the human blood index, the mosquito-to-human (human-to-mosquito transmission efficiency, the human infectious age, the recovery rate, as well as the gametocyte prevalence, were reassessed by means of entomological and parasitological observations. This paper also revealed that various malaria variables lack information from field studies to be set properly in a malaria modelling approach. Conclusions Due to the multitude of model parameters and the uncertainty involved in the setting of parameters, an extensive

  3. SO2 oxidation catalyst model systems characterized by thermal methods

    DEFF Research Database (Denmark)

    Hatem, G; Eriksen, Kim Michael; Gaune-Escard, M

    2002-01-01

    The molten salts M2S2O7 and MHSO4, the binary molten salt Systems M2S2O7-MHSO4 and the molten salt-gas systems M2S2O7 V2O5 and M2S2O7-M2SO4 V2O5 (M = Na, K, Rb, Cs) in O-2, SO2 and At atmospheres have been investigated by thermal methods like calorimetry, Differential Enthalpic Analysis (DEA) and...... to the mechanism Of SO2 oxidation by V2O5 based industrial catalysts....

  4. A model for oxidizing species concentrations in boiling water reactors

    International Nuclear Information System (INIS)

    Sun, B.; Chexal, B.; Pathania, R.; Chun, J.; Ballinger, R.; Abdollahian, D.

    1993-01-01

    To evaluate and control the intergranular stress corrosion cracking of boiling water reactor (BWR) vessel internal components requires knowledge of the concentration of oxidizing species that affects the electrochemical potentials in various regions of a BWR. In a BWR flow circuit, as water flows through the radiation field, the radiolysis process and chemical reactions lead to the production of species such as oxygen, hydrogen, and hydrogen peroxide. Since chemistry measurements are difficult inside BWRs, analytical tools have been developed by Ruiz and Lin, Ibe and Uchida and Chun and Ballinger for estimating the concentration of species that provide the necessary input for water chemistry control and material protection

  5. Dynamic Modeling, Model-Based Control, and Optimization of Solid Oxide Fuel Cells

    Science.gov (United States)

    Spivey, Benjamin James

    2011-07-01

    Solid oxide fuel cells are a promising option for distributed stationary power generation that offers efficiencies ranging from 50% in stand-alone applications to greater than 80% in cogeneration. To advance SOFC technology for widespread market penetration, the SOFC should demonstrate improved cell lifetime and load-following capability. This work seeks to improve lifetime through dynamic analysis of critical lifetime variables and advanced control algorithms that permit load-following while remaining in a safe operating zone based on stress analysis. Control algorithms typically have addressed SOFC lifetime operability objectives using unconstrained, single-input-single-output control algorithms that minimize thermal transients. Existing SOFC controls research has not considered maximum radial thermal gradients or limits on absolute temperatures in the SOFC. In particular, as stress analysis demonstrates, the minimum cell temperature is the primary thermal stress driver in tubular SOFCs. This dissertation presents a dynamic, quasi-two-dimensional model for a high-temperature tubular SOFC combined with ejector and prereformer models. The model captures dynamics of critical thermal stress drivers and is used as the physical plant for closed-loop control simulations. A constrained, MIMO model predictive control algorithm is developed and applied to control the SOFC. Closed-loop control simulation results demonstrate effective load-following, constraint satisfaction for critical lifetime variables, and disturbance rejection. Nonlinear programming is applied to find the optimal SOFC size and steady-state operating conditions to minimize total system costs.

  6. Optical modeling of nickel-base alloys oxidized in pressurized water reactor

    Energy Technology Data Exchange (ETDEWEB)

    Clair, A. [Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS, Universite de Bourgogne, 9 avenue Alain Savary, BP 47870, 21078 Dijon cedex (France); Foucault, M.; Calonne, O. [Areva ANP, Centre Technique Departement Corrosion-Chimie, 30 Bd de l' industrie, BP 181, 71205 Le Creusot (France); Finot, E., E-mail: Eric.Finot@u-bourgogne.fr [Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR 6303 CNRS, Universite de Bourgogne, 9 avenue Alain Savary, BP 47870, 21078 Dijon cedex (France)

    2012-10-01

    The knowledge of the aging process involved in the primary water of pressurized water reactor entails investigating a mixed growth mechanism in the corrosion of nickel-base alloys. A mixed growth induces an anionic inner oxide and a cationic diffusion parallel to a dissolution-precipitation process forms the outer zone. The in situ monitoring of the oxidation kinetics requires the modeling of the oxide layer stratification with the full knowledge of the optical constants related to each component. Here, we report the dielectric constants of the alloys 600 and 690 measured by spectroscopic ellipsometry and fitted to a Drude-Lorentz model. A robust optical stratification model was determined using focused ion beam cross-section of thin foils examined by transmission electron microscopy. Dielectric constants of the inner oxide layer depleted in chromium were assimilated to those of the nickel thin film. The optical constants of both the spinels and extern layer were determined. - Highlights: Black-Right-Pointing-Pointer Spectroscopic ellipsometry of Ni-base alloy oxidation in pressurized water reactor Black-Right-Pointing-Pointer Measurements of the dielectric constants of the alloys Black-Right-Pointing-Pointer Optical simulation of the mixed oxidation process using a three stack model Black-Right-Pointing-Pointer Scattered crystallites cationic outer layer; linear Ni-gradient bottom layer Black-Right-Pointing-Pointer Determination of the refractive index of the spinel and the Cr{sub 2}O{sub 3} layers.

  7. Updating sea spray aerosol emissions in the Community Multiscale Air Quality (CMAQ) model version 5.0.2

    Data.gov (United States)

    U.S. Environmental Protection Agency — The uploaded data consists of the BRACE Na aerosol observations paired with CMAQ model output, the updated model's parameterization of sea salt aerosol emission size...

  8. Model simulating oxidation of Zircalot-4 at 400 (C in water vapor. Influence of thermal cycling and structure

    International Nuclear Information System (INIS)

    Garcia, Eduardo A.; Beranguer, G.

    1998-01-01

    This work gives a model simulating the oxidation of Zircaloy-4 in water vapor at 400 (C with different precipitates and granular sizes. The model combines diffusion with inter linked porosity, defining also an interface in the oxide separating phases of inter linked porosity from non inter linked porosity in the (PI/PnL) oxide, which spreads in a discrete way in time and is capable of reproducing kinetics of experimental oxidation

  9. The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques.

    Science.gov (United States)

    Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong; Pan, Min

    2017-09-28

    Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R² > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X₂Cd) at low pH and inner-sphere surface complexation sites (SOCd⁺ and (SO)₂CdOH - species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water-mineral interface.

  10. The Adsorption of Cd(II on Manganese Oxide Investigated by Batch and Modeling Techniques

    Directory of Open Access Journals (Sweden)

    Xiaoming Huang

    2017-09-01

    Full Text Available Manganese (Mn oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R2 > 0.999. The adsorption of Cd(II on Mn oxide significantly decreased with increasing ionic strength at pH < 5.0, whereas Cd(II adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II on Mn oxide at pH < 5.0 and pH > 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II on Mn oxide can be satisfactorily simulated by ion exchange sites (X2Cd at low pH and inner-sphere surface complexation sites (SOCd+ and (SO2CdOH− species at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water–mineral interface.

  11. The Adsorption of Cd(II) on Manganese Oxide Investigated by Batch and Modeling Techniques

    Science.gov (United States)

    Huang, Xiaoming; Chen, Tianhu; Zou, Xuehua; Zhu, Mulan; Chen, Dong

    2017-01-01

    Manganese (Mn) oxide is a ubiquitous metal oxide in sub-environments. The adsorption of Cd(II) on Mn oxide as function of adsorption time, pH, ionic strength, temperature, and initial Cd(II) concentration was investigated by batch techniques. The adsorption kinetics showed that the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by pseudo-second-order kinetic model with high correlation coefficients (R2 > 0.999). The adsorption of Cd(II) on Mn oxide significantly decreased with increasing ionic strength at pH adsorption was independent of ionic strength at pH > 6.0, which indicated that outer-sphere and inner-sphere surface complexation dominated the adsorption of Cd(II) on Mn oxide at pH 6.0, respectively. The maximum adsorption capacity of Mn oxide for Cd(II) calculated from Langmuir model was 104.17 mg/g at pH 6.0 and 298 K. The thermodynamic parameters showed that the adsorption of Cd(II) on Mn oxide was an endothermic and spontaneous process. According to the results of surface complexation modeling, the adsorption of Cd(II) on Mn oxide can be satisfactorily simulated by ion exchange sites (X2Cd) at low pH and inner-sphere surface complexation sites (SOCd+ and (SO)2CdOH− species) at high pH conditions. The finding presented herein plays an important role in understanding the fate and transport of heavy metals at the water–mineral interface. PMID:28956849

  12. FPL-PELPS : a price endogenous linear programming system for economic modeling, supplement to PELPS III, version 1.1.

    Science.gov (United States)

    Patricia K. Lebow; Henry Spelter; Peter J. Ince

    2003-01-01

    This report provides documentation and user information for FPL-PELPS, a personal computer price endogenous linear programming system for economic modeling. Originally developed to model the North American pulp and paper industry, FPL-PELPS follows its predecessors in allowing the modeling of any appropriate sector to predict consumption, production and capacity by...

  13. Bisphenol A Induces Hepatotoxicity through Oxidative Stress in Rat Model

    Directory of Open Access Journals (Sweden)

    Zeinab K. Hassan

    2012-01-01

    Full Text Available Reactive oxygen species (ROS are cytotoxic agents that lead to significant oxidative damage. Bisphenol A (BPA is a contaminant with increasing exposure to it and exerts both toxic and estrogenic effects on mammalian cells. Due to limited information concerning the effect of BPA on liver, this study investigates whether BPA causes hepatotoxicity by induction of oxidative stress in liver. Rats were divided into five groups: The first four groups, BPA (0.1, 1, 10, 50 mg/kg/day were administrated orally to rats for four weeks. The fifth group was taken water with vehicle. The final body weights in the 0.1 mg group showed a significant decrease compared to control group. Significant decreased levels of reduced glutathione, superoxide dismutase, glutathione peroxidase, glutathione-S-transferase, glutathione reductase and catalase activity were found in the 50 mg BPA group compared to control groups. High dose of BPA (50 mg/kg significantly increased the biochemical levels of ALT, ALP and total bilirubin. BPA effect on the activity of antioxidant genes was confirmed by real time PCR in which the expression levels of these genes in liver tissue were significantly decrease compared to control. Data from this study demonstrate that BPA generate ROS and reduce the antioxidant gene expression that causes hepatotoxicity.

  14. Oxidation kinetics of model compounds of metabolic waste in supercritical water

    Science.gov (United States)

    Webley, Paul A.; Holgate, Henry R.; Stevenson, David M.; Tester, Jefferson W.

    1990-01-01

    In this NASA-funded study, the oxidation kinetics of methanol and ammonia in supercritical water have been experimentally determined in an isothermal plug flow reactor. Theoretical studies have also been carried out to characterize key reaction pathways. Methanol oxidation rates were found to be proportional to the first power of methanol concentration and independent of oxygen concentration and were highly activated with an activation energy of approximately 98 kcal/mole over the temperature range 480 to 540 C at 246 bar. The oxidation of ammonia was found to be catalytic with an activation energy of 38 kcal/mole over temperatures ranging from 640 to 700 C. An elementary reaction model for methanol oxidation was applied after correction for the effect of high pressure on the rate constants. The conversion of methanol predicted by the model was in good agreement with experimental data.

  15. Coordinated HArd Sphere Model (CHASM): A Simplified Model for Silicate and Oxide Liquids at Mantle Conditions

    Science.gov (United States)

    Wolf, A. S.; Asimow, P. D.; Stevenson, D. J.

    2013-12-01

    Recent first-principles theoretical calculations (Stixrude 2009) and experimental shock-wave investigations (Mosenfelder 2009) indicate that melting perovskite requires significantly less energy than previously thought, supporting the idea of a deep-mantle magma ocean early in Earth's history. The modern-day solid Earth is thus likely the result of crystallization from an early predominantly molten state, a process that is primarily controlled by the poorly understood behavior of silicate melts at extreme pressures and temperatures. Probing liquid thermodynamics at mantle conditions is difficult for both theory and experiment, and further challenges are posed by the large relevant compositional space including at least MgO, SiO2, and FeO. First-principles molecular dynamics has been used with great success to determine the high P-T properties of a small set of fixed composition silicate-oxide liquids including MgO (Karki 2006), SiO2 (Karki 2007), Mg2SiO4 (de Koker 2008), MgSiO3 (Stixrude 2005), and Fe2SiO4 (Ramo 2012). While extremely powerful, this approach has limitations including high computational cost, lower bounds on temperature due to relaxation constraints, as well as restrictions to length scales and time scales that are many orders of magnitude smaller than those relevant to the Earth or experimental methods. As a compliment to accurate first-principles calculations, we have developed the Coordinated HArd Sphere Model (CHASM). We extend the standard hard sphere mixture model, recently applied to silicate liquids by Jing (2011), by accounting for the range of oxygen coordination states available to liquid cations. Utilizing approximate analytic expressions for the hard sphere model, the method can predict complex liquid structure and thermodynamics while remaining computationally efficient. Requiring only minutes on standard desktop computers rather than months on supercomputers, the CHASM approach is well-suited to providing an approximate thermodynamic

  16. Hypoxia and oxidation levels of DNA and lipids in humans and animal experimental models

    DEFF Research Database (Denmark)

    Møller, Peter; Risom, Lotte; Lundby, Carsten

    2008-01-01

    The objective of this review was to evaluate the association between hypoxia and oxidative damage to DNA and lipids. Evaluation criteria encompassed specificity and validation status of the biomarkers, study design, strength of the association, dose-response relationship, biological plausibility......, analogous exposures, and effect modification by intervention. The collective interpretation indicates persuasive evidence from the studies in humans for an association between hypoxia and elevated levels of oxidative damage to DNA and lipids. The levels of oxidatively generated DNA lesions and lipid...... in subjects at high altitude. Most of the animal experimental models should be interpreted with caution because the assays for assessment of lipid peroxidation products have suboptimal validity....

  17. Oxidative Stress Associated with Neuronal Apoptosis in Experimental Models of Epilepsy

    Directory of Open Access Journals (Sweden)

    Marisela Méndez-Armenta

    2014-01-01

    Full Text Available Epilepsy is considered one of the most common neurological disorders worldwide. Oxidative stress produced by free radicals may play a role in the initiation and progression of epilepsy; the changes in the mitochondrial and the oxidative stress state can lead mechanism associated with neuronal death pathway. Bioenergetics state failure and impaired mitochondrial function include excessive free radical production with impaired synthesis of antioxidants. This review summarizes evidence that suggest what is the role of oxidative stress on induction of apoptosis in experimental models of epilepsy.

  18. Modeling and experimental evaluation of the diffusion bonding of the oxide dispersion strengthened steel PM2000

    International Nuclear Information System (INIS)

    Sittel, Wiebke; Basuki, Widodo W.; Aktaa, Jarir

    2015-01-01

    A modeling based optimization process of the solid state diffusion bonding is presented for joining ferritic oxide dispersion strengthened steels PM2000. An optimization study employing varying bonding temperatures and pressures results in almost the same strength and toughness of the bonded compared to the as received material. TEM investigations of diffusion bonded samples show a homogeneous distribution of oxide particles at the bonding seam similar to that in the bulk. Hence, no loss in strength or creep resistance due to oxide particle agglomeration is found, as verified by the mechanical properties observed for the joint.

  19. Windows(Registered Trademark)-Based Software Models Cyclic Oxidation Behavior

    Science.gov (United States)

    Smialek, J. L.; Auping, J. V.

    2004-01-01

    Oxidation of high-temperature aerospace materials is a universal issue for combustion-path components in turbine or rocket engines. In addition to the question of the consumption of material due to growth of protective scale at use temperatures, there is also the question of cyclic effects and spallation of scale on cooldown. The spallation results in the removal of part of the protective oxide in a discontinuous step and thereby opens the way for more rapid oxidation upon reheating. In experiments, cyclic oxidation behavior is most commonly characterized by measuring changes in weight during extended time intervals that include hundreds or thousands of heating and cooling cycles. Weight gains occurring during isothermal scale-growth processes have been well characterized as being parabolic or nearly parabolic functions of time because diffusion controls reaction rates. In contrast, the net weight change in cyclic oxidation is the sum of the effects of the growth and spallation of scale. Typically, the net weight gain in cyclic oxidation is determined only empirically (that is, by measurement), with no unique or straightforward mathematical connection to either the rate of growth or the amount of metal consumed. Thus, there is a need for mathematical modeling to infer spallation mechanisms. COSP is a computer program that models the growth and spallation processes of cyclic oxidation on the basis of a few elementary assumptions that were discussed in COSP: A Computer Model of Cyclic Oxidation, Oxidation of Metals, vol. 36, numbers 1 and 2, 1991, pages 81-112. Inputs to the model include the selection of an oxidation-growth law and a spalling geometry, plus oxide-phase, growth-rate, cycle-duration, and spall-constant parameters. (The spalling fraction is often shown to be a constant factor times the existing amount of scale.) The output of COSP includes the net change in weight, the amounts of retained and spalled oxide, the total amounts of oxygen and metal

  20. Modelling of elementary kinetics of H2 and CO oxidation on ceria pattern cells

    International Nuclear Information System (INIS)

    Patel, HC; Tabish, AN; Aravind, PV

    2015-01-01

    Elementary kinetic mechanisms of fuel oxidation on ceria have not been dealt with in detail in literature. An elementary kinetic model is developed considering charge transfer and adsorption steps for electrochemical H 2 and CO oxidation on ceria. The reaction chemistry is solved by fitting previously obtained impedance spectra for H 2 and CO oxidation on ceria. The rate determining step is found to be the charge transfer rather than the adsorption for both H 2 and CO. A method is presented to extend the kinetics obtained from pattern anodes to macroscopic simulations in which the activation overvoltage can be calculated on the basis of elementary kinetics.

  1. Configurational Model for Conductivity of Stabilized Fluorite Structure Oxides

    DEFF Research Database (Denmark)

    Poulsen, Finn Willy

    1981-01-01

    The formalism developed here furnishes means by which ionic configurations, solid solution limits, and conductivity mechanisms in doped fluorite structures can be described. The present model differs markedly from previous models but reproduces qualitatively reality. The analysis reported...

  2. Assessment of the impact of oxidation processes on indoor air pollution using the new time-resolved INCA-Indoor model

    Science.gov (United States)

    Mendez, Maxence; Blond, Nadège; Blondeau, Patrice; Schoemaecker, Coralie; Hauglustaine, Didier A.

    2015-12-01

    INCA-Indoor, a new indoor air quality (IAQ) model, has been developed to simulate the concentrations of volatile organic compounds (VOC) and oxidants considering indoor air specific processes such as: emission, ventilation, surface interactions (sorption, deposition, uptake). Based on the detailed version of SAPRC-07 chemical mechanism, INCA-Indoor is able to analyze the contribution of the production and loss pathways of key chemical species (VOCs, oxidants, radical species). The potential of this model has been tested through three complementary analyses: a comparison with the most detailed IAQ model found in the literature, focusing on oxidant species; realistic scenarios covering a large range of conditions, involving variable OH sources like HONO; and the investigation of alkenes ozonolysis under a large range of indoor conditions that can increase OH and HO2 concentrations. Simulations have been run changing nitrous acid (HONO) concentrations, NOx levels, photolysis rates and ventilation rates, showing that HONO can be the main source of indoor OH. Cleaning events using products containing D-limonene have been simulated at different periods of the day. These scenarios show that HOX concentrations can significantly increase in specific conditions. An assessment of the impact of indoor chemistry on the potential formation of secondary species such as formaldehyde (HCHO) and acetaldehyde (CH3CHO) has been carried out under various room configuration scenarios and a study of the HOx budget for different realistic scenarios has been performed. It has been shown that, under the simulation conditions, formaldehyde can be affected by oxidant concentrations via chemical production which can account for more than 10% of the total production, representing 6.5 ppb/h. On the other hand, acetaldehyde production is affected more by oxidation processes. When the photolysis rates are high, chemical processes are responsible for about 50% of the total production of

  3. Radiolytic modelling of spent fuel oxidative dissolution mechanism. Calibration against UO2 dynamic leaching experiments

    International Nuclear Information System (INIS)

    Merino, J.; Cera, E.; Bruno, J.; Quinones, J.; Casas, I.; Clarens, F.; Gimenez, J.; Pablo, J. de; Rovira, M.; Martinez-Esparza, A.

    2005-01-01

    Calibration and testing are inherent aspects of any modelling exercise and consequently they are key issues in developing a model for the oxidative dissolution of spent fuel. In the present work we present the outcome of the calibration process for the kinetic constants of a UO 2 oxidative dissolution mechanism developed for using in a radiolytic model. Experimental data obtained in dynamic leaching experiments of unirradiated UO 2 has been used for this purpose. The iterative calibration process has provided some insight into the detailed mechanism taking place in the alteration of UO 2 , particularly the role of · OH radicals and their interaction with the carbonate system. The results show that, although more simulations are needed for testing in different experimental systems, the calibrated oxidative dissolution mechanism could be included in radiolytic models to gain confidence in the prediction of the long-term alteration rate of the spent fuel under repository conditions

  4. A simple model to estimate the optimal doping of p - Type oxide superconductors

    Directory of Open Access Journals (Sweden)

    Adir Moysés Luiz

    2008-12-01

    Full Text Available Oxygen doping of superconductors is discussed. Doping high-Tc superconductors with oxygen seems to be more efficient than other doping procedures. Using the assumption of double valence fluctuations, we present a simple model to estimate the optimal doping of p-type oxide superconductors. The experimental values of oxygen content for optimal doping of the most important p-type oxide superconductors can be accounted for adequately using this simple model. We expect that our simple model will encourage further experimental and theoretical researches in superconducting materials.

  5. Kinetic modeling of antimony(III) oxidation and sorption in soils.

    Science.gov (United States)

    Cai, Yongbing; Mi, Yuting; Zhang, Hua

    2016-10-05

    Kinetic batch and saturated column experiments were performed to study the oxidation, adsorption and transport of Sb(III) in two soils with contrasting properties. Kinetic and column experiment results clearly demonstrated the extensive oxidation of Sb(III) in soils, and this can in return influence the adsorption and transport of Sb. Both sorption capacity and kinetic oxidation rate were much higher in calcareous Huanjiang soil than in acid red Yingtan soil. The results indicate that soil serve as a catalyst in promoting oxidation of Sb(III) even under anaerobic conditions. A PHREEQC model with kinetic formulations was developed to simulate the oxidation, sorption and transport of Sb(III) in soils. The model successfully described Sb(III) oxidation and sorption data in kinetic batch experiment. It was less successful in simulating the reactive transport of Sb(III) in soil columns. Additional processes such as colloid facilitated transport need to be quantified and considered in the model. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. The CSIRO Mk3L climate system model version 1.0 – Part 1: Description and evaluation

    Directory of Open Access Journals (Sweden)

    S. J. Phipps

    2011-06-01

    Full Text Available The CSIRO Mk3L climate system model is a coupled general circulation model, designed primarily for millennial-scale climate simulations and palaeoclimate research. Mk3L includes components which describe the atmosphere, ocean, sea ice and land surface, and combines computational efficiency with a stable and realistic control climatology. This paper describes the model physics and software, analyses the control climatology, and evaluates the ability of the model to simulate the modern climate.

    Mk3L incorporates a spectral atmospheric general circulation model, a z-coordinate ocean general circulation model, a dynamic-thermodynamic sea ice model and a land surface scheme with static vegetation. The source code is highly portable, and has no dependence upon proprietary software. The model distribution is freely available to the research community. A 1000-yr climate simulation can be completed in around one-and-a-half months on a typical desktop computer, with greater throughput being possible on high-performance computing facilities.

    Mk3L produces realistic simulations of the larger-scale features of the modern climate, although with some biases on the regional scale. The model also produces reasonable representations of the leading modes of internal climate variability in both the tropics and extratropics. The control state of the model exhibits a high degree of stability, with only a weak cooling trend on millennial timescales. Ongoing development work aims to improve the model climatology and transform Mk3L into a comprehensive earth system model.

  7. Groundwater model of the Great Basin carbonate and alluvial aquifer system version 3.0: Incorporating revisions in southwestern Utah and east central Nevada

    Science.gov (United States)

    Brooks, Lynette E.

    2017-12-01

    The groundwater model described in this report is a new version of previously published steady-state numerical groundwater flow models of the Great Basin carbonate and alluvial aquifer system, and was developed in conjunction with U.S. Geological Survey studies in Parowan, Pine, and Wah Wah Valleys, Utah. This version of the model is GBCAAS v. 3.0 and supersedes previous versions. The objectives of the model for Parowan Valley were to simulate revised conceptual estimates of recharge and discharge, to estimate simulated aquifer storage properties and the amount of reduction in storage as a result of historical groundwater withdrawals, and to assess reduction in groundwater withdrawals necessary to mitigate groundwater-level declines in the basin. The objectives of the model for the area near Pine and Wah Wah Valleys were to recalibrate the model using new observations of groundwater levels and evapotranspiration of groundwater; to provide new estimates of simulated recharge, hydraulic conductivity, and interbasin flow; and to simulate the effects of proposed groundwater withdrawals on the regional flow system. Meeting these objectives required the addition of 15 transient calibration stress periods and 14 projection stress periods, aquifer storage properties, historical withdrawals in Parowan Valley, and observations of water-level changes in Parowan Valley. Recharge in Parowan Valley and withdrawal from wells in Parowan Valley and two nearby wells in Cedar City Valley vary for each calibration stress period representing conditions from March 1940 to November 2013. Stresses, including recharge, are the same in each stress period as in the steady-state stress period for all areas outside of Parowan Valley. The model was calibrated to transient conditions only in Parowan Valley. Simulated storage properties outside of Parowan Valley were set the same as the Parowan Valley properties and are not considered calibrated. Model observations in GBCAAS v. 3.0 are

  8. Mathematical modelling of the kinetics of aerosol oxidation of sulfur dioxide upon electron-beam purification of power-plant flue gases from nitrogen and sulfur oxides

    International Nuclear Information System (INIS)

    Gerasimov, G.Ya.; Gerasimova, T.S.; Fadeev, S.A.

    1996-01-01

    A kinetic model of SO 2 oxidation in flue gases, irradiated with accelerated electron flux is proposed. The model comprises an optimized mechanism of gas phase radiation chemical oxidation of NO and SO 2 , kinetics circuit of SO 2 and NH 3 thermal interaction, kinetic models of volumetric condensation of water and sulfuric acid vapors and liquid-phase oxidation of SO 2 in aerosol drops, produced in the course of volumetric condensation. Calculation results are in a satisfactory agreement with experimental data. (author)

  9. STWAVE: Steady-State Spectral Wave Model. Report 1: User's Manual for STWAVE Version 2.0

    National Research Council Canada - National Science Library

    Smith, Jane

    1999-01-01

    .... STWAVE has also been incorporated into the Surface-Water Modeling System, which provides a user interface and supporting software for grid generation, interpolation of current fields, generation...

  10. Large-scale Modeling of Nitrous Oxide Production: Issues of Representing Spatial Heterogeneity

    Science.gov (United States)

    Morris, C. K.; Knighton, J.

    2017-12-01

    Nitrous oxide is produced from the biological processes of nitrification and denitrification in terrestrial environments and contributes to the greenhouse effect that warms Earth's climate. Large scale modeling can be used to determine how global rate of nitrous oxide production and consumption will shift under future climates. However, accurate modeling of nitrification and denitrification is made difficult by highly parameterized, nonlinear equations. Here we show that the representation of spatial heterogeneity in inputs, specifically soil moisture, causes inaccuracies in estimating the average nitrous oxide production in soils. We demonstrate that when soil moisture is averaged from a spatially heterogeneous surface, net nitrous oxide production is under predicted. We apply this general result in a test of a widely-used global land surface model, the Community Land Model v4.5. The challenges presented by nonlinear controls on nitrous oxide are highlighted here to provide a wider context to the problem of extraordinary denitrification losses in CLM. We hope that these findings will inform future researchers on the possibilities for model improvement of the global nitrogen cycle.

  11. Dynamic modelling of nitrous oxide emissions from three Swedish sludge liquor treatment systems

    DEFF Research Database (Denmark)

    Lindblom, E.; Arnell, M.; Flores-Alsina, X.

    2016-01-01

    The objective of this paper is to model the dynamics and validate the results of nitrous oxide (N2O)emissions from three Swedish nitrifying/denitrifying, nitritation and anammox systems treating real anaerobic digester sludge liquor. The Activated Sludge Model No. 1 is extended to describe N2O...

  12. Development of the kinetic model of platinum catalyzed ammonia oxidation in a microreactor

    NARCIS (Netherlands)

    Rebrov, E.V.; Croon, de M.H.J.M.; Schouten, J.C.

    2002-01-01

    The ammonia oxidation reaction on supported polycrystalline platinum catalyst was investigated in an aluminum-based microreactor. An extensive set of reactions was included in the chemical reactor modeling to facilitate the construction of a kinetic model capable of satisfactory predictions for a

  13. Three-phase boundary length in solid-oxide fuel cells: A mathematical model

    Science.gov (United States)

    Janardhanan, Vinod M.; Heuveline, Vincent; Deutschmann, Olaf

    A mathematical model to calculate the volume specific three-phase boundary length in the porous composite electrodes of solid-oxide fuel cell is presented. The model is exclusively based on geometrical considerations accounting for porosity, particle diameter, particle size distribution, and solids phase distribution. Results are presented for uniform particle size distribution as well as for non-uniform particle size distribution.

  14. A Multi-Year Plan for Enhancing Turbulence Modeling in Hydra-TH Revised and Updated Version 2.0

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Thomas M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Berndt, Markus [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Baglietto, Emilio [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States); Magolan, Ben [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2015-10-01

    The purpose of this report is to document a multi-year plan for enhancing turbulence modeling in Hydra-TH for the Consortium for Advanced Simulation of Light Water Reactors (CASL) program. Hydra-TH is being developed to the meet the high- fidelity, high-Reynolds number CFD based thermal hydraulic simulation needs of the program. This work is being conducted within the thermal hydraulics methods (THM) focus area. This report is an extension of THM CASL milestone L3:THM.CFD.P10.02 [33] (March, 2015) and picks up where it left off. It will also serve to meet the requirements of CASL THM level three milestone, L3:THM.CFD.P11.04, scheduled for completion September 30, 2015. The objectives of this plan will be met by: maturation of recently added turbulence models, strategic design/development of new models and systematic and rigorous testing of existing and new models and model extensions. While multi-phase turbulent flow simulations are important to the program, only single-phase modeling will be considered in this report. Large Eddy Simulation (LES) is also an important modeling methodology. However, at least in the first year, the focus is on steady-state Reynolds Averaged Navier-Stokes (RANS) turbulence modeling.

  15. delta O-18 water isotope in the iLOVECLIM model (version 1.0) - Part 1: Implementation and verification

    NARCIS (Netherlands)

    Roche, D.M.V.A.P.

    2013-01-01

    A new 18O stable water isotope scheme is developed for three components of the iLOVECLIM coupled climate model: atmospheric, oceanic and land surface. The equations required to reproduce the fractionation of stable water isotopes in the simplified atmospheric model ECBilt are developed consistently

  16. Technical documentation and user's guide for City-County Allocation Model (CCAM). Version 1. 0

    Energy Technology Data Exchange (ETDEWEB)

    Clark, L.T. Jr.; Scott, M.J.; Hammer, P.

    1986-05-01

    The City-County Allocation Model (CCAM) was developed as part of the Monitored Retrievable Storage (MRS) Program. The CCAM model was designed to allocate population changes forecasted by the MASTER model to specific local communities within commuting distance of the MRS facility. The CCAM model was designed to then forecast the potential changes in demand for key community services such as housing, police protection, and utilities for these communities. The CCAM model uses a flexible on-line data base on demand for community services that is based on a combination of local service levels and state and national service standards. The CCAM model can be used to quickly forecast the potential community service consequence of economic development for local communities anywhere in the country. The remainder of this document is organized as follows. The purpose of this manual is to assist the user in understanding and operating the City-County Allocation Model (CCAM). The annual explains the data sources for the model and code modifications as well as the operational procedures.

  17. The new version of the Institute of Numerical Mathematics Sigma Ocean Model (INMSOM) for simulation of Global Ocean circulation and its variability

    Science.gov (United States)

    Gusev, Anatoly; Fomin, Vladimir; Diansky, Nikolay; Korshenko, Evgeniya

    2017-04-01

    In this paper, we present the improved version of the ocean general circulation sigma-model developed in the Institute of Numerical Mathematics of the Russian Academy of Sciences (INM RAS). The previous version referred to as INMOM (Institute of Numerical Mathematics Ocean Model) is used as the oceanic component of the IPCC climate system model INMCM (Institute of Numerical Mathematics Climate Model (Volodin et al 2010,2013). Besides, INMOM as the only sigma-model was used for simulations according to CORE-II scenario (Danabasoglu et al. 2014,2016; Downes et al. 2015; Farneti et al. 2015). In general, INMOM results are comparable to ones of other OGCMs and were used for investigation of climatic variations in the North Atlantic (Gusev and Diansky 2014). However, detailed analysis of some CORE-II INMOM results revealed some disadvantages of the INMOM leading to considerable errors in reproducing some ocean characteristics. So, the mass transport in the Antarctic Circumpolar Current (ACC) was overestimated. As well, there were noticeable errors in reproducing thermohaline structure of the ocean. After analysing the previous results, the new version of the OGCM was developed. It was decided to entitle is INMSOM (Institute of Numerical Mathematics Sigma Ocean Model). The new title allows one to distingwish the new model, first, from its older version, and second, from another z-model developed in the INM RAS and referred to as INMIO (Institute of Numerical Mathematics and Institute of Oceanology ocean model) (Ushakov et al. 2016). There were numerous modifications in the model, some of them are as follows. 1) Formulation of the ocean circulation problem in terms of full free surface with taking into account water amount variation. 2) Using tensor form of lateral viscosity operator invariant to rotation. 3) Using isopycnal diffusion including Gent-McWilliams mixing. 4) Using atmospheric forcing computation according to NCAR methodology (Large and Yeager 2009). 5

  18. Energy-Efficient and Environmentally Friendly Solid Oxide Membrane Electrolysis Process for Magnesium Oxide Reduction: Experiment and Modeling

    Science.gov (United States)

    Guan, Xiaofei; Pal, Uday B.; Powell, Adam C.

    2014-06-01

    This paper reports a solid oxide membrane (SOM) electrolysis experiment using an LSM(La0.8Sr0.2MnO3-δ)-Inconel inert anode current collector for production of magnesium and oxygen directly from magnesium oxide at 1423 K (1150 °C). The electrochemical performance of the SOM cell was evaluated by means of various electrochemical techniques including electrochemical impedance spectroscopy, potentiodynamic scan, and electrolysis. Electronic transference numbers of the flux were measured to assess the magnesium dissolution in the flux during SOM electrolysis. The effects of magnesium solubility in the flux on the current efficiency and the SOM stability during electrolysis are discussed. An inverse correlation between the electronic transference number of the flux and the current efficiency of the SOM electrolysis was observed. Based on the experimental results, a new equivalent circuit of the SOM electrolysis process is presented. A general electrochemical polarization model of SOM process for magnesium and oxygen gas production is developed, and the maximum allowable applied potential to avoid zirconia dissociation is calculated as well. The modeling results suggest that a high electronic resistance of the flux and a relatively low electronic resistance of SOM are required to achieve membrane stability, high current efficiency, and high production rates of magnesium and oxygen.

  19. An integrated assessment modeling framework for uncertainty studies in global and regional climate change: the MIT IGSM-CAM (version 1.0)

    Science.gov (United States)

    Monier, E.; Scott, J. R.; Sokolov, A. P.; Forest, C. E.; Schlosser, C. A.

    2013-12-01

    This paper describes a computationally efficient framework for uncertainty studies in global and regional climate change. In this framework, the Massachusetts Institute of Technology (MIT) Integrated Global System Model (IGSM), an integrated assessment model that couples an Earth system model of intermediate complexity to a human activity model, is linked to the National Center for Atmospheric Research (NCAR) Community Atmosphere Model (CAM). Since the MIT IGSM-CAM framework (version 1.0) incorporates a human activity model, it is possible to analyze uncertainties in emissions resulting from both uncertainties in the underlying socio-economic characteristics of the economic model and in the choice of climate-related policies. Another major feature is the flexibility to vary key climate parameters controlling the climate system response to changes in greenhouse gases and aerosols concentrations, e.g., climate sensitivity, ocean heat uptake rate, and strength of the aerosol forcing. The IGSM-CAM is not only able to realistically simulate the present-day mean climate and the observed trends at the global and continental scale, but it also simulates ENSO variability with realistic time scales, seasonality and patterns of SST anomalies, albeit with stronger magnitudes than observed. The IGSM-CAM shares the same general strengths and limitations as the Coupled Model Intercomparison Project Phase 3 (CMIP3) models in simulating present-day annual mean surface temperature and precipitation. Over land, the IGSM-CAM shows similar biases to the NCAR Community Climate System Model (CCSM) version 3, which shares the same atmospheric model. This study also presents 21st century simulations based on two emissions scenarios (unconstrained scenario and stabilization scenario at 660 ppm CO2-equivalent) similar to, respectively, the Representative Concentration Pathways RCP8.5 and RCP4.5 scenarios, and three sets of climate parameters. Results of the simulations with the chosen

  20. GENII Version 2 Users’ Guide

    Energy Technology Data Exchange (ETDEWEB)

    Napier, Bruce A.

    2004-03-08

    The GENII Version 2 computer code was developed for the Environmental Protection Agency (EPA) at Pacific Northwest National Laboratory (PNNL) to incorporate the internal dosimetry models recommended by the International Commission on Radiological Protection (ICRP) and the radiological risk estimating procedures of Federal Guidance Report 13 into updated versions of existing environmental pathway analysis models. The resulting environmental dosimetry computer codes are compiled in the GENII Environmental Dosimetry System. The GENII system was developed to provide a state-of-the-art, technically peer-reviewed, documented set of programs for calculating radiation dose and risk from radionuclides released to the environment. The codes were designed with the flexibility to accommodate input parameters for a wide variety of generic sites. Operation of a new version of the codes, GENII Version 2, is described in this report. Two versions of the GENII Version 2 code system are available, a full-featured version and a version specifically designed for demonstrating compliance with the dose limits specified in 40 CFR 61.93(a), the National Emission Standards for Hazardous Air Pollutants (NESHAPS) for radionuclides. The only differences lie in the limitation of the capabilities of the user to change specific parameters in the NESHAPS version. This report describes the data entry, accomplished via interactive, menu-driven user interfaces. Default exposure and consumption parameters are provided for both the average (population) and maximum individual; however, these may be modified by the user. Source term information may be entered as radionuclide release quantities for transport scenarios, or as basic radionuclide concentrations in environmental media (air, water, soil). For input of basic or derived concentrations, decay of parent radionuclides and ingrowth of radioactive decay products prior to the start of the exposure scenario may be considered. A single code run can

  1. Gridded Surface Subsurface Hydrologic Analysis (GSSHA) User's Manual; Version 1.43 for Watershed Modeling System 6.1

    National Research Council Canada - National Science Library

    Downer, Charles W; Ogden, Fred L

    2006-01-01

    The need to simulate surface water flows in watersheds with diverse runoff production mechanisms has led to the development of the physically-based hydrologic model Gridded Surface Subsurface Hydrologic Analysis (GSSHA...

  2. FMCSA Safety Program Effectiveness Measurement: Carrier Intervention Effectiveness Model (CIEM), Version 1.1 Report for Fiscal Year 2014 Interventions

    Science.gov (United States)

    2018-04-01

    The Federal Motor Carrier Safety Administration (FMCSA), in cooperation with the John A. Volpe National Transportation Systems Center (Volpe), has developed a quantitative model to measure the effectiveness of motor carrier interventions in terms of ...

  3. FMCSA Safety Program Effectiveness Measurement: Carrier Intervention Effectiveness Model, Version 1.1-Report for FY 2014 Interventions - Analysis Brief

    Science.gov (United States)

    2018-04-01

    The Carrier Intervention Effectiveness Model (CIEM) provides the Federal Motor Carrier Safety Administration (FMCSA) with a tool for measuring the safety benefits of carrier interventions conducted under the Compliance, Safety, Accountability (CSA) e...

  4. FMCSA safety program effectiveness measurement : Carrier Intervention Effectiveness Model (CIEM), Version 1.1, report for fiscal year 2013 interventions.

    Science.gov (United States)

    2017-04-01

    The Federal Motor Carrier Safety Administration (FMCSA), in cooperation with the John A. Volpe National Transportation Systems Center (Volpe), has developed a quantitative model to measure the effectiveness of motor carrier interventions in terms of ...

  5. Modeling and parametric simulations of solid oxide fuel cells with methane carbon dioxide reforming

    International Nuclear Information System (INIS)

    Ni, Meng

    2013-01-01

    Highlights: ► A 2D model is developed for solid oxide fuel cells (SOFCs). ► CH 4 reforming by CO 2 (MCDR) is included. ► SOFC with MCDR shows comparable performance with methane steam reforming SOFC. ► Increasing CO electrochemical oxidation greatly enhances the SOFC performance. ► Effects of potential and temperature on SOFC performance are also discussed. - Abstract: A two-dimensional model is developed to simulate the performance of solid oxide fuel cells (SOFCs) fed with CO 2 and CH 4 mixture. The electrochemical oxidations of both CO and H 2 are included. Important chemical reactions are considered in the model, including methane carbon dioxide reforming (MCDR), reversible water gas shift reaction (WGSR), and methane steam reforming (MSR). It’s found that at a CH 4 /CO 2 molar ratio of 50/50, MCDR and reversible WGSR significantly influence the cell performance while MSR is negligibly small. The performance of SOFC fed with CO 2 /CH 4 mixture is comparable to SOFC running on CH 4 /H 2 O mixtures. The electric output of SOFC can be enhanced by operating the cell at a low operating potential or at a high temperature. In addition, the development of anode catalyst with high activity towards CO electrochemical oxidation is important for SOFC performance enhancement. The model can serve as a useful tool for optimization of the SOFC system running on CH 4 /CO 2 mixtures

  6. Chemical kinetic models for combustion of hydrocarbons and formation of nitric oxide

    Science.gov (United States)

    Jachimowski, C. J.; Wilson, C. H.

    1980-01-01

    The formation of nitrogen oxides NOx during combustion of methane, propane, and a jet fuel, JP-4, was investigated in a jet stirred combustor. The results of the experiments were interpreted using reaction models in which the nitric oxide (NO) forming reactions were coupled to the appropriate hydrocarbon combustion reaction mechanisms. Comparison between the experimental data and the model predictions reveals that the CH + N2 reaction process has a significant effect on NO formation especially in stoichiometric and fuel rich mixtures. Reaction models were assembled that predicted nitric oxide levels that were in reasonable agreement with the jet stirred combustor data and with data obtained from a high pressure (5.9 atm (0.6 MPa)), prevaporized, premixed, flame tube type combustor. The results also suggested that the behavior of hydrocarbon mixtures, like JP-4, may not be significantly different from that of pure hydrocarbons. Application of the propane combustion and nitric oxide formation model to the analysis of NOx emission data reported for various aircraft gas turbines showed the contribution of the various nitric oxide forming processes to the total NOx formed.

  7. Updating sea spray aerosol emissions in the Community Multiscale Air Quality (CMAQ) model version 5.0.2

    OpenAIRE

    Gantt, B.; Kelly, J. T.; Bash, J. O.

    2015-01-01

    Sea spray aerosols (SSAs) impact the particle mass concentration and gas-particle partitioning in coastal environments, with implications for human and ecosystem health. Model evaluations of SSA emissions have mainly focused on the global scale, but regional-scale evaluations are also important due to the localized impact of SSAs on atmospheric chemistry near the coast. In this study, SSA emissions in the Community Multiscale Air Quality (CMAQ) model were updated to enhance the...

  8. Implementation of methane cycling for deep-time global warming simulations with the DCESS Earth system model (version 1.2)

    Science.gov (United States)

    Shaffer, Gary; Fernández Villanueva, Esteban; Rondanelli, Roberto; Olaf Pepke Pedersen, Jens; Malskær Olsen, Steffen; Huber, Matthew

    2017-11-01

    Geological records reveal a number of ancient, large and rapid negative excursions of the carbon-13 isotope. Such excursions can only be explained by massive injections of depleted carbon to th