WorldWideScience

Sample records for computer modelling study

  1. Computational Modeling | Bioenergy | NREL

    Science.gov (United States)

    cell walls and are the source of biofuels and biomaterials. Our modeling investigates their properties . Quantum Mechanical Models NREL studies chemical and electronic properties and processes to reduce barriers Computational Modeling Computational Modeling NREL uses computational modeling to increase the

  2. Using Computational and Mechanical Models to Study Animal Locomotion

    OpenAIRE

    Miller, Laura A.; Goldman, Daniel I.; Hedrick, Tyson L.; Tytell, Eric D.; Wang, Z. Jane; Yen, Jeannette; Alben, Silas

    2012-01-01

    Recent advances in computational methods have made realistic large-scale simulations of animal locomotion possible. This has resulted in numerous mathematical and computational studies of animal movement through fluids and over substrates with the purpose of better understanding organisms’ performance and improving the design of vehicles moving through air and water and on land. This work has also motivated the development of improved numerical methods and modeling techniques for animal locom...

  3. Using Computational and Mechanical Models to Study Animal Locomotion

    Science.gov (United States)

    Miller, Laura A.; Goldman, Daniel I.; Hedrick, Tyson L.; Tytell, Eric D.; Wang, Z. Jane; Yen, Jeannette; Alben, Silas

    2012-01-01

    Recent advances in computational methods have made realistic large-scale simulations of animal locomotion possible. This has resulted in numerous mathematical and computational studies of animal movement through fluids and over substrates with the purpose of better understanding organisms’ performance and improving the design of vehicles moving through air and water and on land. This work has also motivated the development of improved numerical methods and modeling techniques for animal locomotion that is characterized by the interactions of fluids, substrates, and structures. Despite the large body of recent work in this area, the application of mathematical and numerical methods to improve our understanding of organisms in the context of their environment and physiology has remained relatively unexplored. Nature has evolved a wide variety of fascinating mechanisms of locomotion that exploit the properties of complex materials and fluids, but only recently are the mathematical, computational, and robotic tools available to rigorously compare the relative advantages and disadvantages of different methods of locomotion in variable environments. Similarly, advances in computational physiology have only recently allowed investigators to explore how changes at the molecular, cellular, and tissue levels might lead to changes in performance at the organismal level. In this article, we highlight recent examples of how computational, mathematical, and experimental tools can be combined to ultimately answer the questions posed in one of the grand challenges in organismal biology: “Integrating living and physical systems.” PMID:22988026

  4. Computer model for economic study of unbleached kraft paperboard production

    Science.gov (United States)

    Peter J. Ince

    1984-01-01

    Unbleached kraft paperboard is produced from wood fiber in an industrial papermaking process. A highly specific and detailed model of the process is presented. The model is also presented as a working computer program. A user of the computer program will provide data on physical parameters of the process and on prices of material inputs and outputs. The program is then...

  5. A model ecosystem experiment and its computational simulation studies

    International Nuclear Information System (INIS)

    Doi, M.

    2002-01-01

    Simplified microbial model ecosystem and its computer simulation model are introduced as eco-toxicity test for the assessment of environmental responses from the effects of environmental impacts. To take the effects on the interactions between species and environment into account, one option is to select the keystone species on the basis of ecological knowledge, and to put it in the single-species toxicity test. Another option proposed is to put the eco-toxicity tests as experimental micro ecosystem study and a theoretical model ecosystem analysis. With these tests, the stressors which are more harmful to the ecosystems should be replace with less harmful ones on the basis of unified measures. Management of radioactive materials, chemicals, hyper-eutrophic, and other artificial disturbances of ecosystem should be discussed consistently from the unified view point of environmental protection. (N.C.)

  6. Mathematical and computational modeling and simulation fundamentals and case studies

    CERN Document Server

    Moeller, Dietmar P F

    2004-01-01

    Mathematical and Computational Modeling and Simulation - a highly multi-disciplinary field with ubiquitous applications in science and engineering - is one of the key enabling technologies of the 21st century. This book introduces to the use of Mathematical and Computational Modeling and Simulation in order to develop an understanding of the solution characteristics of a broad class of real-world problems. The relevant basic and advanced methodologies are explained in detail, with special emphasis on ill-defined problems. Some 15 simulation systems are presented on the language and the logical level. Moreover, the reader can accumulate experience by studying a wide variety of case studies. The latter are briefly described within the book but their full versions as well as some simulation software demos are available on the Web. The book can be used for University courses of different level as well as for self-study. Advanced sections are marked and can be skipped in a first reading or in undergraduate courses...

  7. Case studies in Gaussian process modelling of computer codes

    International Nuclear Information System (INIS)

    Kennedy, Marc C.; Anderson, Clive W.; Conti, Stefano; O'Hagan, Anthony

    2006-01-01

    In this paper we present a number of recent applications in which an emulator of a computer code is created using a Gaussian process model. Tools are then applied to the emulator to perform sensitivity analysis and uncertainty analysis. Sensitivity analysis is used both as an aid to model improvement and as a guide to how much the output uncertainty might be reduced by learning about specific inputs. Uncertainty analysis allows us to reflect output uncertainty due to unknown input parameters, when the finished code is used for prediction. The computer codes themselves are currently being developed within the UK Centre for Terrestrial Carbon Dynamics

  8. Computational neurogenetic modeling

    CERN Document Server

    Benuskova, Lubica

    2010-01-01

    Computational Neurogenetic Modeling is a student text, introducing the scope and problems of a new scientific discipline - Computational Neurogenetic Modeling (CNGM). CNGM is concerned with the study and development of dynamic neuronal models for modeling brain functions with respect to genes and dynamic interactions between genes. These include neural network models and their integration with gene network models. This new area brings together knowledge from various scientific disciplines, such as computer and information science, neuroscience and cognitive science, genetics and molecular biol

  9. Comparative study of computational model for pipe whip analysis

    International Nuclear Information System (INIS)

    Koh, Sugoong; Lee, Young-Shin

    1993-01-01

    Many types of pipe whip restraints are installed to protect the structural components from the anticipated pipe whip phenomena of high energy lines in nuclear power plants. It is necessary to investigate these phenomena accurately in order to evaluate the acceptability of the pipe whip restraint design. Various research programs have been conducted in many countries to develop analytical methods and to verify the validity of the methods. In this study, various calculational models in ANSYS code and in ADLPIPE code, the general purpose finite element computer programs, were used to simulate the postulated pipe whips to obtain impact loads and the calculated results were compared with the specific experimental results from the sample pipe whip test for the U-shaped pipe whip restraints. Some calculational models, having the spring element between the pipe whip restraint and the pipe line, give reasonably good transient responses of the restraint forces compared with the experimental results, and could be useful in evaluating the acceptability of the pipe whip restraint design. (author)

  10. Developing Computer Model-Based Assessment of Chemical Reasoning: A Feasibility Study

    Science.gov (United States)

    Liu, Xiufeng; Waight, Noemi; Gregorius, Roberto; Smith, Erica; Park, Mihwa

    2012-01-01

    This paper reports a feasibility study on developing computer model-based assessments of chemical reasoning at the high school level. Computer models are flash and NetLogo environments to make simultaneously available three domains in chemistry: macroscopic, submicroscopic, and symbolic. Students interact with computer models to answer assessment…

  11. Computational model for transient studies of IRIS pressurizer behavior

    International Nuclear Information System (INIS)

    Rives Sanz, R.; Montesino Otero, M.E.; Gonzalez Mantecon, J.; Rojas Mazaira, L.

    2014-01-01

    International Reactor Innovative and Secure (IRIS) excels other Small Modular Reactor (SMR) designs due to its innovative characteristics regarding safety. IRIS integral pressurizer makes the design of larger pressurizer system than the conventional PWR, without any additional cost. The IRIS pressurizer volume of steam can provide enough margins to avoid spray requirement to mitigate in-surge transient. The aim of the present research is to model the IRIS pressurizer's dynamic using the commercial finite volume Computational Fluid Dynamic code CFX 14. A symmetric tridimensional model equivalent to 1/8 of the total geometry was adopted to reduce mesh size and minimize processing time. The model considers the coexistence of three phases: liquid, steam, and vapor bubbles in liquid volume. Additionally, it takes into account the heat losses between the pressurizer and primary circuit. The relationships for interfacial mass, energy, and momentum transport are programmed and incorporated into CFX by using expressions in CFX Command Language (CCL) format. Moreover, several additional variables are defined for improving the convergence and allow monitoring of boron dilution sequences and condensation-evaporation rate in different control volumes. For transient states a non - equilibrium stratification in the pressurizer is considered. This paper discusses the model developed and the behavior of the system for representative transients sequences such as the in/out-surge transients and boron dilution sequences. The results of analyzed transients of IRIS can be applied to the design of pressurizer internal structures and components. (author)

  12. A computer model for DNAPL potential migration study

    International Nuclear Information System (INIS)

    Yan, S.; Landry, G.R.; Tate, T.

    1994-01-01

    A computer model, named DNAPMIG (DNAPL Potential Migration), was developed to calculate the dense nonaqueous phase liquid (DNAPL) critical length required to initiate movement and direction of potential migration at locations within an area of interest. The model takes into consideration the potentiometric gradient, bottom structure elevation, DNAPL density, interfacial tension, contact angle, soil grain size, partitioning coefficient, effective solubility, and water saturation. The model is interfaced with SURFER graphics software to use vectors to indicate the DNAPL critical length and the potential migration direction. The potential for DNAPL existence and migration at a specific site can be estimated by relating chemical concentration in the ground water to its solubility limit and the DNAPL critical length. The possibility of vertical migration can also be determined. This model can be used to determine and compare the effectiveness of existing or alternative recovery well systems to capture a DNAPL plume or arrest its movement; to help determine optimum locations and pumping rates of recovery wells; and to help determine the optimum location of environmental borings to locate DNAPL. This paper presents two hypothetical examples and two site applications in south Louisiana

  13. Computational models of neuromodulation.

    Science.gov (United States)

    Fellous, J M; Linster, C

    1998-05-15

    Computational modeling of neural substrates provides an excellent theoretical framework for the understanding of the computational roles of neuromodulation. In this review, we illustrate, with a large number of modeling studies, the specific computations performed by neuromodulation in the context of various neural models of invertebrate and vertebrate preparations. We base our characterization of neuromodulations on their computational and functional roles rather than on anatomical or chemical criteria. We review the main framework in which neuromodulation has been studied theoretically (central pattern generation and oscillations, sensory processing, memory and information integration). Finally, we present a detailed mathematical overview of how neuromodulation has been implemented at the single cell and network levels in modeling studies. Overall, neuromodulation is found to increase and control computational complexity.

  14. Overhead Crane Computer Model

    Science.gov (United States)

    Enin, S. S.; Omelchenko, E. Y.; Fomin, N. V.; Beliy, A. V.

    2018-03-01

    The paper has a description of a computer model of an overhead crane system. The designed overhead crane system consists of hoisting, trolley and crane mechanisms as well as a payload two-axis system. With the help of the differential equation of specified mechanisms movement derived through Lagrange equation of the II kind, it is possible to build an overhead crane computer model. The computer model was obtained using Matlab software. Transients of coordinate, linear speed and motor torque of trolley and crane mechanism systems were simulated. In addition, transients of payload swaying were obtained with respect to the vertical axis. A trajectory of the trolley mechanism with simultaneous operation with the crane mechanism is represented in the paper as well as a two-axis trajectory of payload. The designed computer model of an overhead crane is a great means for studying positioning control and anti-sway control systems.

  15. Computational Fluid Dynamics Modeling Of Scaled Hanford Double Shell Tank Mixing - CFD Modeling Sensitivity Study Results

    International Nuclear Information System (INIS)

    Jackson, V.L.

    2011-01-01

    The primary purpose of the tank mixing and sampling demonstration program is to mitigate the technical risks associated with the ability of the Hanford tank farm delivery and celtification systems to measure and deliver a uniformly mixed high-level waste (HLW) feed to the Waste Treatment and Immobilization Plant (WTP) Uniform feed to the WTP is a requirement of 24590-WTP-ICD-MG-01-019, ICD-19 - Interface Control Document for Waste Feed, although the exact definition of uniform is evolving in this context. Computational Fluid Dynamics (CFD) modeling has been used to assist in evaluating scaleup issues, study operational parameters, and predict mixing performance at full-scale.

  16. Numerical studies on the electromagnetic properties of the nonlinear Lorentz Computational model for the dielectric media

    International Nuclear Information System (INIS)

    Abe, H.; Okuda, H.

    1994-06-01

    We study linear and nonlinear properties of a new computer simulation model developed to study the propagation of electromagnetic waves in a dielectric medium in the linear and nonlinear regimes. The model is constructed by combining a microscopic model used in the semi-classical approximation for the dielectric media and the particle model developed for the plasma simulations. It is shown that the model may be useful for studying linear and nonlinear wave propagation in the dielectric media

  17. How Computer Music Modeling and Retrieval Interface with Music-And-Meaning Studies

    DEFF Research Database (Denmark)

    Grund, Cynthia M.

    2007-01-01

      Inspired by the interest generated as the result of a panel discussion dealing with cross-disciplinarity and computer music modeling and retrieval (CMMR) at CMMR 2005 - "Play!" - in Pisa, a panel discussion on  current issues of a cross-disciplinary character has been organized for ICMC07/CMMR...... 2007. Eight panelists will be dealing with the two questions: a) What are current issues within music-and-meaning studies, the examination of which mandates development of new techniques within computer music modeling and retrieval?  and b) Do current techniques within computer music modeling...... and retrieval give rise to new questions within music-and-meaning studies?...

  18. A computational study of pyrolysis reactions of lignin model compounds

    Science.gov (United States)

    Thomas Elder

    2010-01-01

    Enthalpies of reaction for the initial steps in the pyrolysis of lignin have been evaluated at the CBS-4m level of theory using fully substituted b-O-4 dilignols. Values for competing unimolecular decomposition reactions are consistent with results previously published for phenethyl phenyl ether models, but with lowered selectivity. Chain propagating reactions of free...

  19. Computer simulation study of water using a fluctuating charge model

    Indian Academy of Sciences (India)

    Unknown

    Typically, the simulated diffusion constants are larger, and relaxation times smaller than .... where λi is the Lagrange multiplier for the charge neutrality constraint. As the .... For a geometrically rigid model such as SPC, the integral turns out to ...

  20. Plasticity: modeling & computation

    National Research Council Canada - National Science Library

    Borja, Ronaldo Israel

    2013-01-01

    .... "Plasticity Modeling & Computation" is a textbook written specifically for students who want to learn the theoretical, mathematical, and computational aspects of inelastic deformation in solids...

  1. Emerging Trends in Heart Valve Engineering: Part IV. Computational Modeling and Experimental Studies.

    Science.gov (United States)

    Kheradvar, Arash; Groves, Elliott M; Falahatpisheh, Ahmad; Mofrad, Mohammad K; Hamed Alavi, S; Tranquillo, Robert; Dasi, Lakshmi P; Simmons, Craig A; Jane Grande-Allen, K; Goergen, Craig J; Baaijens, Frank; Little, Stephen H; Canic, Suncica; Griffith, Boyce

    2015-10-01

    In this final portion of an extensive review of heart valve engineering, we focus on the computational methods and experimental studies related to heart valves. The discussion begins with a thorough review of computational modeling and the governing equations of fluid and structural interaction. We then move onto multiscale and disease specific modeling. Finally, advanced methods related to in vitro testing of the heart valves are reviewed. This section of the review series is intended to illustrate application of computational methods and experimental studies and their interrelation for studying heart valves.

  2. Computational models of the pulmonary circulation: Insights and the move towards clinically directed studies

    Science.gov (United States)

    Tawhai, Merryn H.; Clark, Alys R.; Burrowes, Kelly S.

    2011-01-01

    Biophysically-based computational models provide a tool for integrating and explaining experimental data, observations, and hypotheses. Computational models of the pulmonary circulation have evolved from minimal and efficient constructs that have been used to study individual mechanisms that contribute to lung perfusion, to sophisticated multi-scale and -physics structure-based models that predict integrated structure-function relationships within a heterogeneous organ. This review considers the utility of computational models in providing new insights into the function of the pulmonary circulation, and their application in clinically motivated studies. We review mathematical and computational models of the pulmonary circulation based on their application; we begin with models that seek to answer questions in basic science and physiology and progress to models that aim to have clinical application. In looking forward, we discuss the relative merits and clinical relevance of computational models: what important features are still lacking; and how these models may ultimately be applied to further increasing our understanding of the mechanisms occurring in disease of the pulmonary circulation. PMID:22034608

  3. DNA Self-Assembly and Computation Studied with a Coarse-grained Dynamic Bonded Model

    DEFF Research Database (Denmark)

    Svaneborg, Carsten; Fellermann, Harold; Rasmussen, Steen

    2012-01-01

    We utilize a coarse-grained directional dynamic bonding DNA model [C. Svaneborg, Comp. Phys. Comm. (In Press DOI:10.1016/j.cpc.2012.03.005)] to study DNA self-assembly and DNA computation. In our DNA model, a single nucleotide is represented by a single interaction site, and complementary sites can...

  4. Experimental and Computer Modelling Studies of Metastability of Amorphous Silicon Based Solar Cells

    NARCIS (Netherlands)

    Munyeme, Geoffrey

    2003-01-01

    We present a combination of experimental and computer modelling studies of the light induced degradation in the performance of amorphous silicon based single junction solar cells. Of particular interest in this study is the degradation kinetics of different types of amorphous silicon single junction

  5. Numerical studies on soliton propagation in the dielectric media by the nonlinear Lorentz computational model

    International Nuclear Information System (INIS)

    Abe, H.; Okuda, H.

    1994-06-01

    Soliton propagation in the dielectric media has been simulated by using the nonlinear Lorentz computational model, which was recently developed to study the propagation of electromagnetic waves in a linear and a nonlinear dielectric. The model is constructed by combining a microscopic model used in the semi-classical approximation for dielectric media and the particle model developed for the plasma simulations. The carrier wave frequency is retained in the simulation so that not only the envelope of the soliton but also its phase can be followed in time. It is shown that the model may be useful for studying pulse propagation in the dielectric media

  6. A Non-Linear Digital Computer Model Requiring Short Computation Time for Studies Concerning the Hydrodynamics of the BWR

    Energy Technology Data Exchange (ETDEWEB)

    Reisch, F; Vayssier, G

    1969-05-15

    This non-linear model serves as one of the blocks in a series of codes to study the transient behaviour of BWR or PWR type reactors. This program is intended to be the hydrodynamic part of the BWR core representation or the hydrodynamic part of the PWR heat exchanger secondary side representation. The equations have been prepared for the CSMP digital simulation language. By using the most suitable integration routine available, the ratio of simulation time to real time is about one on an IBM 360/75 digital computer. Use of the slightly different language DSL/40 on an IBM 7044 computer takes about four times longer. The code has been tested against the Eindhoven loop with satisfactory agreement.

  7. Modelling computer networks

    International Nuclear Information System (INIS)

    Max, G

    2011-01-01

    Traffic models in computer networks can be described as a complicated system. These systems show non-linear features and to simulate behaviours of these systems are also difficult. Before implementing network equipments users wants to know capability of their computer network. They do not want the servers to be overloaded during temporary traffic peaks when more requests arrive than the server is designed for. As a starting point for our study a non-linear system model of network traffic is established to exam behaviour of the network planned. The paper presents setting up a non-linear simulation model that helps us to observe dataflow problems of the networks. This simple model captures the relationship between the competing traffic and the input and output dataflow. In this paper, we also focus on measuring the bottleneck of the network, which was defined as the difference between the link capacity and the competing traffic volume on the link that limits end-to-end throughput. We validate the model using measurements on a working network. The results show that the initial model estimates well main behaviours and critical parameters of the network. Based on this study, we propose to develop a new algorithm, which experimentally determines and predict the available parameters of the network modelled.

  8. Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation.

    Science.gov (United States)

    Liu, Jun; Zhang, Liqun; Cao, Dapeng; Wang, Wenchuan

    2009-12-28

    Polymer nanocomposites (PNCs) often exhibit excellent mechanical, thermal, electrical and optical properties, because they combine the performances of both polymers and inorganic or organic nanoparticles. Recently, computer modeling and simulation are playing an important role in exploring the reinforcement mechanism of the PNCs and even the design of functional PNCs. This report provides an overview of the progress made in past decades in the investigation of the static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation. Emphases are placed on exploring the mechanisms at the molecular level for the dispersion of nanoparticles in nanocomposites, the effects of nanoparticles on chain conformation and glass transition temperature (T(g)), as well as viscoelastic and mechanical properties. Finally, some future challenges and opportunities in computer modeling and simulation of PNCs are addressed.

  9. Modeling an Excitable Biosynthetic Tissue with Inherent Variability for Paired Computational-Experimental Studies.

    Directory of Open Access Journals (Sweden)

    Tanmay A Gokhale

    2017-01-01

    Full Text Available To understand how excitable tissues give rise to arrhythmias, it is crucially necessary to understand the electrical dynamics of cells in the context of their environment. Multicellular monolayer cultures have proven useful for investigating arrhythmias and other conduction anomalies, and because of their relatively simple structure, these constructs lend themselves to paired computational studies that often help elucidate mechanisms of the observed behavior. However, tissue cultures of cardiomyocyte monolayers currently require the use of neonatal cells with ionic properties that change rapidly during development and have thus been poorly characterized and modeled to date. Recently, Kirkton and Bursac demonstrated the ability to create biosynthetic excitable tissues from genetically engineered and immortalized HEK293 cells with well-characterized electrical properties and the ability to propagate action potentials. In this study, we developed and validated a computational model of these excitable HEK293 cells (called "Ex293" cells using existing electrophysiological data and a genetic search algorithm. In order to reproduce not only the mean but also the variability of experimental observations, we examined what sources of variation were required in the computational model. Random cell-to-cell and inter-monolayer variation in both ionic conductances and tissue conductivity was necessary to explain the experimentally observed variability in action potential shape and macroscopic conduction, and the spatial organization of cell-to-cell conductance variation was found to not impact macroscopic behavior; the resulting model accurately reproduces both normal and drug-modified conduction behavior. The development of a computational Ex293 cell and tissue model provides a novel framework to perform paired computational-experimental studies to study normal and abnormal conduction in multidimensional excitable tissue, and the methodology of modeling

  10. Combined experimental and computational modelling studies of the solubility of nickel in strontium titanate

    NARCIS (Netherlands)

    Beale, A.M.; Paul, M.; Sankar, G.; Oldman, R.J.; Catlow, R.A.; French, S.; Fowles, M.

    2009-01-01

    A combination of X-ray techniques and atomistic computational modelling has been used to study the solubility of Ni in SrTiO3 in relation to the application of this material for the catalytic partial oxidation of methane. The experiments have demonstrated that low temperature, hydrothermal synthesis

  11. The CMS Computing Model

    International Nuclear Information System (INIS)

    Bonacorsi, D.

    2007-01-01

    The CMS experiment at LHC has developed a baseline Computing Model addressing the needs of a computing system capable to operate in the first years of LHC running. It is focused on a data model with heavy streaming at the raw data level based on trigger, and on the achievement of the maximum flexibility in the use of distributed computing resources. The CMS distributed Computing Model includes a Tier-0 centre at CERN, a CMS Analysis Facility at CERN, several Tier-1 centres located at large regional computing centres, and many Tier-2 centres worldwide. The workflows have been identified, along with a baseline architecture for the data management infrastructure. This model is also being tested in Grid Service Challenges of increasing complexity, coordinated with the Worldwide LHC Computing Grid community

  12. Study of the stability of a SEIRS model for computer worm propagation

    Science.gov (United States)

    Hernández Guillén, J. D.; Martín del Rey, A.; Hernández Encinas, L.

    2017-08-01

    Nowadays, malware is the most important threat to information security. In this sense, several mathematical models to simulate malware spreading have appeared. They are compartmental models where the population of devices is classified into different compartments: susceptible, exposed, infectious, recovered, etc. The main goal of this work is to propose an improved SEIRS (Susceptible-Exposed-Infectious-Recovered-Susceptible) mathematical model to simulate computer worm propagation. It is a continuous model whose dynamic is ruled by means of a system of ordinary differential equations. It considers more realistic parameters related to the propagation; in fact, a modified incidence rate has been used. Moreover, the equilibrium points are computed and their local and global stability analyses are studied. From the explicit expression of the basic reproductive number, efficient control measures are also obtained.

  13. LHCb computing model

    CERN Document Server

    Frank, M; Pacheco, Andreu

    1998-01-01

    This document is a first attempt to describe the LHCb computing model. The CPU power needed to process data for the event filter and reconstruction is estimated to be 2.2 \\Theta 106 MIPS. This will be installed at the experiment and will be reused during non data-taking periods for reprocessing. The maximal I/O of these activities is estimated to be around 40 MB/s.We have studied three basic models concerning the placement of the CPU resources for the other computing activities, Monte Carlo-simulation (1:4 \\Theta 106 MIPS) and physics analysis (0:5 \\Theta 106 MIPS): CPU resources may either be located at the physicist's homelab, national computer centres (Regional Centres) or at CERN.The CPU resources foreseen for analysis are sufficient to allow 100 concurrent analyses. It is assumed that physicists will work in physics groups that produce analysis data at an average rate of 4.2 MB/s or 11 TB per month. However, producing these group analysis data requires reading capabilities of 660 MB/s. It is further assu...

  14. Bio-inspired computational heuristics to study Lane-Emden systems arising in astrophysics model.

    Science.gov (United States)

    Ahmad, Iftikhar; Raja, Muhammad Asif Zahoor; Bilal, Muhammad; Ashraf, Farooq

    2016-01-01

    This study reports novel hybrid computational methods for the solutions of nonlinear singular Lane-Emden type differential equation arising in astrophysics models by exploiting the strength of unsupervised neural network models and stochastic optimization techniques. In the scheme the neural network, sub-part of large field called soft computing, is exploited for modelling of the equation in an unsupervised manner. The proposed approximated solutions of higher order ordinary differential equation are calculated with the weights of neural networks trained with genetic algorithm, and pattern search hybrid with sequential quadratic programming for rapid local convergence. The results of proposed solvers for solving the nonlinear singular systems are in good agreements with the standard solutions. Accuracy and convergence the design schemes are demonstrated by the results of statistical performance measures based on the sufficient large number of independent runs.

  15. On the Impact of Execution Models: A Case Study in Computational Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Chavarría-Miranda, Daniel; Halappanavar, Mahantesh; Krishnamoorthy, Sriram; Manzano Franco, Joseph B.; Vishnu, Abhinav; Hoisie, Adolfy

    2015-05-25

    Efficient utilization of high-performance computing (HPC) platforms is an important and complex problem. Execution models, abstract descriptions of the dynamic runtime behavior of the execution stack, have significant impact on the utilization of HPC systems. Using a computational chemistry kernel as a case study and a wide variety of execution models combined with load balancing techniques, we explore the impact of execution models on the utilization of an HPC system. We demonstrate a 50 percent improvement in performance by using work stealing relative to a more traditional static scheduling approach. We also use a novel semi-matching technique for load balancing that has comparable performance to a traditional hypergraph-based partitioning implementation, which is computationally expensive. Using this study, we found that execution model design choices and assumptions can limit critical optimizations such as global, dynamic load balancing and finding the correct balance between available work units and different system and runtime overheads. With the emergence of multi- and many-core architectures and the consequent growth in the complexity of HPC platforms, we believe that these lessons will be beneficial to researchers tuning diverse applications on modern HPC platforms, especially on emerging dynamic platforms with energy-induced performance variability.

  16. A novel computer algorithm for modeling and treating mandibular fractures: A pilot study.

    Science.gov (United States)

    Rizzi, Christopher J; Ortlip, Timothy; Greywoode, Jewel D; Vakharia, Kavita T; Vakharia, Kalpesh T

    2017-02-01

    To describe a novel computer algorithm that can model mandibular fracture repair. To evaluate the algorithm as a tool to model mandibular fracture reduction and hardware selection. Retrospective pilot study combined with cross-sectional survey. A computer algorithm utilizing Aquarius Net (TeraRecon, Inc, Foster City, CA) and Adobe Photoshop CS6 (Adobe Systems, Inc, San Jose, CA) was developed to model mandibular fracture repair. Ten different fracture patterns were selected from nine patients who had already undergone mandibular fracture repair. The preoperative computed tomography (CT) images were processed with the computer algorithm to create virtual images that matched the actual postoperative three-dimensional CT images. A survey comparing the true postoperative image with the virtual postoperative images was created and administered to otolaryngology resident and attending physicians. They were asked to rate on a scale from 0 to 10 (0 = completely different; 10 = identical) the similarity between the two images in terms of the fracture reduction and fixation hardware. Ten mandible fracture cases were analyzed and processed. There were 15 survey respondents. The mean score for overall similarity between the images was 8.41 ± 0.91; the mean score for similarity of fracture reduction was 8.61 ± 0.98; and the mean score for hardware appearance was 8.27 ± 0.97. There were no significant differences between attending and resident responses. There were no significant differences based on fracture location. This computer algorithm can accurately model mandibular fracture repair. Images created by the algorithm are highly similar to true postoperative images. The algorithm can potentially assist a surgeon planning mandibular fracture repair. 4. Laryngoscope, 2016 127:331-336, 2017. © 2016 The American Laryngological, Rhinological and Otological Society, Inc.

  17. An object-oriented computational model to study cardiopulmonary hemodynamic interactions in humans.

    Science.gov (United States)

    Ngo, Chuong; Dahlmanns, Stephan; Vollmer, Thomas; Misgeld, Berno; Leonhardt, Steffen

    2018-06-01

    This work introduces an object-oriented computational model to study cardiopulmonary interactions in humans. Modeling was performed in object-oriented programing language Matlab Simscape, where model components are connected with each other through physical connections. Constitutive and phenomenological equations of model elements are implemented based on their non-linear pressure-volume or pressure-flow relationship. The model includes more than 30 physiological compartments, which belong either to the cardiovascular or respiratory system. The model considers non-linear behaviors of veins, pulmonary capillaries, collapsible airways, alveoli, and the chest wall. Model parameters were derisved based on literature values. Model validation was performed by comparing simulation results with clinical and animal data reported in literature. The model is able to provide quantitative values of alveolar, pleural, interstitial, aortic and ventricular pressures, as well as heart and lung volumes during spontaneous breathing and mechanical ventilation. Results of baseline simulation demonstrate the consistency of the assigned parameters. Simulation results during mechanical ventilation with PEEP trials can be directly compared with animal and clinical data given in literature. Object-oriented programming languages can be used to model interconnected systems including model non-linearities. The model provides a useful tool to investigate cardiopulmonary activity during spontaneous breathing and mechanical ventilation. Copyright © 2018 Elsevier B.V. All rights reserved.

  18. Symbolic-computation study of the perturbed nonlinear Schrodinger model in inhomogeneous optical fibers

    International Nuclear Information System (INIS)

    Tian Bo; Gao Yitian

    2005-01-01

    A realistic, inhomogeneous fiber in the optical communication systems can be described by the perturbed nonlinear Schrodinger model (also named as the normalized nonlinear Schrodinger model with periodically varying coefficients, dispersion managed nonlinear Schrodinger model or nonlinear Schrodinger model with variable coefficients). Hereby, we extend to this model a direct method, perform symbolic computation and obtain two families of the exact, analytic bright-solitonic solutions, with or without the chirp respectively. The parameters addressed include the shape of the bright soliton, soliton amplitude, inverse width of the soliton, chirp, frequency, center of the soliton and center of the phase of the soliton. Of optical and physical interests, we discuss some previously-published special cases of our solutions. Those solutions could help the future studies on the optical communication systems. ms

  19. Computer-controlled mechanical lung model for application in pulmonary function studies

    NARCIS (Netherlands)

    A.F.M. Verbraak (Anton); J.E.W. Beneken; J.M. Bogaard (Jan); A. Versprille (Adrian)

    1995-01-01

    textabstractA computer controlled mechanical lung model has been developed for testing lung function equipment, validation of computer programs and simulation of impaired pulmonary mechanics. The construction, function and some applications are described. The physical model is constructed from two

  20. Computer Modeling and Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Pronskikh, V. S. [Fermilab

    2014-05-09

    Verification and validation of computer codes and models used in simulation are two aspects of the scientific practice of high importance and have recently been discussed by philosophers of science. While verification is predominantly associated with the correctness of the way a model is represented by a computer code or algorithm, validation more often refers to model’s relation to the real world and its intended use. It has been argued that because complex simulations are generally not transparent to a practitioner, the Duhem problem can arise for verification and validation due to their entanglement; such an entanglement makes it impossible to distinguish whether a coding error or model’s general inadequacy to its target should be blamed in the case of the model failure. I argue that in order to disentangle verification and validation, a clear distinction between computer modeling (construction of mathematical computer models of elementary processes) and simulation (construction of models of composite objects and processes by means of numerical experimenting with them) needs to be made. Holding on to that distinction, I propose to relate verification (based on theoretical strategies such as inferences) to modeling and validation, which shares the common epistemology with experimentation, to simulation. To explain reasons of their intermittent entanglement I propose a weberian ideal-typical model of modeling and simulation as roles in practice. I suggest an approach to alleviate the Duhem problem for verification and validation generally applicable in practice and based on differences in epistemic strategies and scopes

  1. Computational study of nonlinear plasma waves. I. Simulation model and monochromatic wave propagation

    International Nuclear Information System (INIS)

    Matsuda, Y.; Crawford, F.W.

    1975-01-01

    An economical low-noise plasma simulation model originated by Denavit is applied to a series of problems associated with electrostatic wave propagation in a one-dimensional, collisionless, Maxwellian plasma, in the absence of magnetic field. The model is described and tested, first in the absence of an applied signal, and then with a small amplitude perturbation. These tests serve to establish the low-noise features of the model, and to verify the theoretical linear dispersion relation at wave energy levels as low as 10 -6 of the plasma thermal energy: Better quantitative results are obtained, for comparable computing time, than can be obtained by conventional particle simulation models, or direct solution of the Vlasov equation. The method is then used to study propagation of an essentially monochromatic plane wave. Results on amplitude oscillation and nonlinear frequency shift are compared with available theories

  2. Utero-fetal unit and pregnant woman modeling using a computer graphics approach for dosimetry studies.

    Science.gov (United States)

    Anquez, Jérémie; Boubekeur, Tamy; Bibin, Lazar; Angelini, Elsa; Bloch, Isabelle

    2009-01-01

    Potential sanitary effects related to electromagnetic fields exposure raise public concerns, especially for fetuses during pregnancy. Human fetus exposure can only be assessed through simulated dosimetry studies, performed on anthropomorphic models of pregnant women. In this paper, we propose a new methodology to generate a set of detailed utero-fetal unit (UFU) 3D models during the first and third trimesters of pregnancy, based on segmented 3D ultrasound and MRI data. UFU models are built using recent geometry processing methods derived from mesh-based computer graphics techniques and embedded in a synthetic woman body. Nine pregnant woman models have been generated using this approach and validated by obstetricians, for anatomical accuracy and representativeness.

  3. Application of computer-aided multi-scale modelling framework – Aerosol case study

    DEFF Research Database (Denmark)

    Heitzig, Martina; Sin, Gürkan; Glarborg, Peter

    2011-01-01

    Model-based computer aided product-process engineering has attained increased importance in a number of industries, including pharmaceuticals, petrochemicals, fine chemicals, polymers, biotechnology, food, energy and water. This trend is set to continue due to the substantial benefits computer-aided...... methods provide. The key prerequisite of computer-aided product-process engineering is however the availability of models of different types, forms and application modes. The development of the models required for the systems under investigation tends to be a challenging and time-consuming task involving...... numerous steps, expert skills and different modelling tools. This motivates the development of a computer-aided modelling framework that supports the user during model development, documentation, analysis, identification, application and re-use with the goal to increase the efficiency of the modelling...

  4. CMS computing model evolution

    International Nuclear Information System (INIS)

    Grandi, C; Bonacorsi, D; Colling, D; Fisk, I; Girone, M

    2014-01-01

    The CMS Computing Model was developed and documented in 2004. Since then the model has evolved to be more flexible and to take advantage of new techniques, but many of the original concepts remain and are in active use. In this presentation we will discuss the changes planned for the restart of the LHC program in 2015. We will discuss the changes planning in the use and definition of the computing tiers that were defined with the MONARC project. We will present how we intend to use new services and infrastructure to provide more efficient and transparent access to the data. We will discuss the computing plans to make better use of the computing capacity by scheduling more of the processor nodes, making better use of the disk storage, and more intelligent use of the networking.

  5. Computational Intelligence, Cyber Security and Computational Models

    CERN Document Server

    Anitha, R; Lekshmi, R; Kumar, M; Bonato, Anthony; Graña, Manuel

    2014-01-01

    This book contains cutting-edge research material presented by researchers, engineers, developers, and practitioners from academia and industry at the International Conference on Computational Intelligence, Cyber Security and Computational Models (ICC3) organized by PSG College of Technology, Coimbatore, India during December 19–21, 2013. The materials in the book include theory and applications for design, analysis, and modeling of computational intelligence and security. The book will be useful material for students, researchers, professionals, and academicians. It will help in understanding current research trends and findings and future scope of research in computational intelligence, cyber security, and computational models.

  6. Computationally Modeling Interpersonal Trust

    Directory of Open Access Journals (Sweden)

    Jin Joo eLee

    2013-12-01

    Full Text Available We present a computational model capable of predicting—above human accuracy—the degree of trust a person has toward their novel partner by observing the trust-related nonverbal cues expressed in their social interaction. We summarize our prior work, in which we identify nonverbal cues that signal untrustworthy behavior and also demonstrate the human mind’s readiness to interpret those cues to assess the trustworthiness of a social robot. We demonstrate that domain knowledge gained from our prior work using human-subjects experiments, when incorporated into the feature engineering process, permits a computational model to outperform both human predictions and a baseline model built in naivete' of this domain knowledge. We then present the construction of hidden Markov models to incorporate temporal relationships among the trust-related nonverbal cues. By interpreting the resulting learned structure, we observe that models built to emulate different levels of trust exhibit different sequences of nonverbal cues. From this observation, we derived sequence-based temporal features that further improve the accuracy of our computational model. Our multi-step research process presented in this paper combines the strength of experimental manipulation and machine learning to not only design a computational trust model but also to further our understanding of the dynamics of interpersonal trust.

  7. Exploring Students' Computational Thinking Skills in Modeling and Simulation Projects: : A Pilot Study

    NARCIS (Netherlands)

    Grgurina, Natasa; van Veen, Klaas; Barendsen, Erik; Zwaneveld, Bert; Suhre, Cor; Gal-Ezer, Judith; Sentance, Sue; Vahrenhold, Jan

    2015-01-01

    Computational Thinking (CT) is gaining a lot of attention in education. We explored how to discern the occurrences of CT in the projects of 12th grade high school students in the computer science (CS) course. Within the projects, they constructed models and ran simulations of phenomena from other

  8. Computational modelling in fluid mechanics

    International Nuclear Information System (INIS)

    Hauguel, A.

    1985-01-01

    The modelling of the greatest part of environmental or industrial flow problems gives very similar types of equations. The considerable increase in computing capacity over the last ten years consequently allowed numerical models of growing complexity to be processed. The varied group of computer codes presented are now a complementary tool of experimental facilities to achieve studies in the field of fluid mechanics. Several codes applied in the nuclear field (reactors, cooling towers, exchangers, plumes...) are presented among others [fr

  9. A Computational Fluid Dynamics Study of Turbulence, Radiation, and Combustion Models for Natural Gas Combustion Burner

    Directory of Open Access Journals (Sweden)

    Yik Siang Pang

    2018-01-01

    Full Text Available This paper presents a Computational Fluid Dynamics (CFD study of a natural gas combustion burner focusing on the effect of combustion, thermal radiation and turbulence models on the temperature and chemical species concentration fields. The combustion was modelled using the finite rate/eddy dissipation (FR/EDM and partially premixed flame models. Detailed chemistry kinetics CHEMKIN GRI-MECH 3.0 consisting of 325 reactions was employed to model the methane combustion. Discrete ordinates (DO and spherical harmonics (P1 model were employed to predict the thermal radiation. The gas absorption coefficient dependence on the wavelength is resolved by the weighted-sum-of-gray-gases model (WSGGM. Turbulence flow was simulated using Reynolds-averaged Navier-Stokes (RANS based models. The findings showed that a combination of partially premixed flame, P1 and standard k-ε (SKE gave the most accurate prediction with an average deviation of around 7.8% of combustion temperature and 15.5% for reactant composition (methane and oxygen. The results show the multi-step chemistry in the partially premixed model is more accurate than the two-step FR/EDM. Meanwhile, inclusion of thermal radiation has a minor effect on the heat transfer and species concentration. SKE turbulence model yielded better prediction compared to the realizable k-ε (RKE and renormalized k-ε (RNG. The CFD simulation presented in this work may serve as a useful tool to evaluate a performance of a natural gas combustor. Copyright © 2018 BCREC Group. All rights reserved Received: 26th July 2017; Revised: 9th October 2017; Accepted: 30th October 2017; Available online: 22nd January 2018; Published regularly: 2nd April 2018 How to Cite: Pang, Y.S., Law, W.P., Pung, K.Q., Gimbun, J. (2018. A Computational Fluid Dynamics Study of Turbulence, Radiation, and Combustion Models for Natural Gas Combustion Burner. Bulletin of Chemical Reaction Engineering & Catalysis, 13 (1: 155-169 (doi:10.9767/bcrec

  10. Chaos Modelling with Computers

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 1; Issue 5. Chaos Modelling with Computers Unpredicatable Behaviour of Deterministic Systems. Balakrishnan Ramasamy T S K V Iyer. General Article Volume 1 Issue 5 May 1996 pp 29-39 ...

  11. Computer simulation modeling of recreation use: Current status, case studies, and future directions

    Science.gov (United States)

    David N. Cole

    2005-01-01

    This report compiles information about recent progress in the application of computer simulation modeling to planning and management of recreation use, particularly in parks and wilderness. Early modeling efforts are described in a chapter that provides an historical perspective. Another chapter provides an overview of modeling options, common data input requirements,...

  12. Bioremediation in marine ecosystems: a computational study combining ecological modelling and flux balance analysis

    Directory of Open Access Journals (Sweden)

    Marianna eTaffi

    2014-09-01

    Full Text Available The pressure to search effective bioremediation methodologies for contaminated ecosystems has led to the large-scale identification of microbial species and metabolic degradation pathways. However, minor attention has been paid to the study of bioremediation in marine food webs and to the definition of integrated strategies for reducing bioaccumulation in species. We propose a novel computational framework for analysing the multiscale effects of bioremediation at the ecosystem level, based on coupling food web bioaccumulation models and metabolic models of degrading bacteria. The combination of techniques from synthetic biology and ecological network analysis allows the specification of arbitrary scenarios of contaminant removal and the evaluation of strategies based on natural or synthetic microbial strains.In this study, we derive a bioaccumulation model of polychlorinated biphenyls (PCBs in the Adriatic food web, and we extend a metabolic reconstruction of Pseudomonas putida KT2440 (iJN746 with the aerobic pathway of PCBs degradation. We assess the effectiveness of different bioremediation scenarios in reducing PCBs concentration in species and we study indices of species centrality to measure their importance in the contaminant diffusion via feeding links.The analysis of the Adriatic sea case study suggests that our framework could represent a practical tool in the design of effective remediation strategies, providing at the same time insights into the ecological role of microbial communities within food webs.

  13. Application of a computer model to the study of the geothermic field of Mofete, Italy

    Energy Technology Data Exchange (ETDEWEB)

    Giannone, G.; Turriani, C; Pistellie, E

    1984-01-01

    The aim of the study was to develop a reliable and comprehensive reservoir simulation package for a better understanding of ''in-situ'' processes pertinent to geothermal reservoir hydrodynamics and thermodynamics, and to enable an assessment of optimum reservoir management strategies as to production and reinjection policies. The study consists of four parts: The first deals with the computer programme. This is based on a programme called ''CHARG''developed in the US. Some adaptation was necessary. The second part concerns the fall-off and pit-tests of the geothermal well close to Naples ''Mofete 2''. This has been a crucial test for the CHARG model using asymmetric cylindrical coordinates and 14 different layers. Part three deals with predictions about longevity of the geothermal field of Mofete. The area is divided into 2500 blocs distibuted over 14 layers. Several configurations (various numbers of production and reinjection wells) have been tested. The last chapter delas with a comparison between the ISMES reservoir model, based on the finite elements approach and the AGIP model (finite differences). Both models give nearly the same results when applied to the geothermal field of Travale.

  14. Studies of corrosion morphologies by use of experiments and computer models

    Energy Technology Data Exchange (ETDEWEB)

    Johnsen, Terje

    1997-12-31

    CO{sub 2} corrosion of carbon steel is frequently encountered in the oil industry. This thesis studies the morphology of corroded metals and the dynamical evolution of corrosion attacks, especially pits and general corroded fronts, experimentally and by computerized simulation. Two experimental systems of carbon steel in CO{sub 2} bearing waters and aluminium in chloride containing electrolytes were used. Fractal geometry was used in analysing the corrosion patterns and found to be a fruitful technique. The position of the corroding fronts was obtained by destructive methods as well as non-destructive ones. To study fragile corrosion product layers or the corrosion process in situ, a grazing angle lighting technique was developed and found superior to other techniques. A computer model was developed that uses Monte Carlo technique to simulate the generation of localized pits and more general corroded front morphologies. A three-dimensional model and two versions of a two-dimensional model were developed. The three-dimensional model was used to provide incremental data of corroded volume and depth as a function of the simulation time. 185 refs., 97 figs., 16 tabs.

  15. Biomechanical analysis of the anterior displacement of Tibial tuberosity (Maquet operation: A computer model study

    Directory of Open Access Journals (Sweden)

    Farahmand F

    2000-08-01

    Full Text Available Computer model of the patellofemoral joint was developed and the effects on the anterior displacement of the tibial tuberosity were investigated. The input geometrical and verification data for the model were obtained form an experimental study on a cadaver knee, mounted in an instron machine. The computer program found the configuration of the patellofemoral joint which satified both the geometrical and force equilibrium conditions, simultaneously, using a trial graphical approach.verification of the model was achieved by determining the patellar sagittal plane motion and patellofemoral contact locations and comparing the results with the experimental results of the same specimen and published data. Simulation of the anterior displacement of the tibial tuberosity by the model showed that the location of contact area migrates distally on the femur and proximally on the patella following operation. The contact force of the patellofemoral joint decreased significantly by 70% at full extension, 30% at 30 degrees flexion and around 15% at higher flexion angles for a 1 cm anterior displacement of the tibial tuberosity and nearly doubled for a 2cm anterior displacement. The change of the effective moment are of the quadriceps was not considerable. The results suggest that the major effect of the Maquet operation on the contact force appears in extension and mid-flexion rather than deep flexion amgles. Further displacement of the tuberosity enhances the reduction of the contact force, however, the total reduction is less than what was predicted by Maquet. The change of the contact location relieves pain in short term but causes hyperpressure in the proximal retropatellar surface which might be detrimental in long term

  16. Succinate overproduction: A case study of computational strain design using a comprehensive Escherichia coli kinetic model

    Directory of Open Access Journals (Sweden)

    Ali eKhodayari

    2015-01-01

    Full Text Available Computational strain design prediction accuracy has been the focus for many recent efforts through the selective integration of kinetic information into metabolic models. In general, kinetic model prediction quality is determined by the range and scope of genetic and/or environmental perturbations used during parameterization. In this effort, we apply the k-OptForce procedure on a kinetic model of E. coli core metabolism constructed using the Ensemble Modeling (EM method and parameterized using multiple mutant strains data under aerobic respiration with glucose as the carbon source. Minimal interventions are identified that improve succinate yield under both aerobic and anaerobic conditions to test the fidelity of model predictions under both genetic and environmental perturbations. Under aerobic condition, k-OptForce identifies interventions that match existing experimental strategies pointing at a number of unexplored flux redirections such as routing glyoxylate flux through the glycerate metabolism to improve succinate yield. Many of the identified interventions rely on the kinetic descriptions and would not be discoverable by a purely stoichiometric description. In contrast, under fermentative (anaerobic conditions, k-OptForce fails to identify key interventions including up-regulation of anaplerotic reactions and elimination of competitive fermentative products. This is due to the fact that the pathways activated under anaerobic conditions were not properly parameterized as only aerobic flux data were used in the model construction. This study shed light on the importance of condition-specific model parameterization and provides insight onto how to augment kinetic models so as to correctly respond to multiple environmental perturbations.

  17. Ch. 33 Modeling: Computational Thermodynamics

    International Nuclear Information System (INIS)

    Besmann, Theodore M.

    2012-01-01

    This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.

  18. Challenges in Soft Computing: Case Study with Louisville MSD CSO Modeling

    Science.gov (United States)

    Ormsbee, L.; Tufail, M.

    2005-12-01

    The principal constituents of soft computing include fuzzy logic, neural computing, evolutionary computation, machine learning, and probabilistic reasoning. There are numerous applications of these constituents (both individually and combination of two or more) in the area of water resources and environmental systems. These range from development of data driven models to optimal control strategies to assist in more informed and intelligent decision making process. Availability of data is critical to such applications and having scarce data may lead to models that do not represent the response function over the entire domain. At the same time, too much data has a tendency to lead to over-constraining of the problem. This paper will describe the application of a subset of these soft computing techniques (neural computing and genetic algorithms) to the Beargrass Creek watershed in Louisville, Kentucky. The application include development of inductive models as substitutes for more complex process-based models to predict water quality of key constituents (such as dissolved oxygen) and use them in an optimization framework for optimal load reductions. Such a process will facilitate the development of total maximum daily loads for the impaired water bodies in the watershed. Some of the challenges faced in this application include 1) uncertainty in data sets, 2) model application, and 3) development of cause-and-effect relationships between water quality constituents and watershed parameters through use of inductive models. The paper will discuss these challenges and how they affect the desired goals of the project.

  19. Serum albumin and the haloperidol pharmacokinectics. A study using a computational model

    Science.gov (United States)

    de Morais e Coura, Carla Patrícia; Paulino, Erica Tex; Cortez, Celia Martins; da Silva Fragoso, Viviane Muniz

    2016-12-01

    Here we are studying the binding of haloperidol with human and bovine sera albumins applying a computational model, based on spectrofluorimetry, statistical and mathematical knowledge. Haloperidol is one of the oldest antipsychotic drug in use for therapy of patients with acute and chronic schizophrenia. It was found that the fluorescence of HSA was quenched in 18.0 (± 0.2)% and for BSA it was 24.0 (± 0.9)%, for a ratio of 1/1000 of haloperidol/albumin. Results suggested that the primary binding site is located in the subdomain IB. Quenching constants of the albumin fluorescence by haloperidol were in the order of 107, approximately 100-fold higher than that found for risperidone, and about 1000-fold higher than that estimated for chlorpromazine and sulpiride.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1984-02-01

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

  1. The Antares computing model

    Energy Technology Data Exchange (ETDEWEB)

    Kopper, Claudio, E-mail: claudio.kopper@nikhef.nl [NIKHEF, Science Park 105, 1098 XG Amsterdam (Netherlands)

    2013-10-11

    Completed in 2008, Antares is now the largest water Cherenkov neutrino telescope in the Northern Hemisphere. Its main goal is to detect neutrinos from galactic and extra-galactic sources. Due to the high background rate of atmospheric muons and the high level of bioluminescence, several on-line and off-line filtering algorithms have to be applied to the raw data taken by the instrument. To be able to handle this data stream, a dedicated computing infrastructure has been set up. The paper covers the main aspects of the current official Antares computing model. This includes an overview of on-line and off-line data handling and storage. In addition, the current usage of the “IceTray” software framework for Antares data processing is highlighted. Finally, an overview of the data storage formats used for high-level analysis is given.

  2. Quantifying cross-linguistic influence with a computational model : A study of case-marking comprehension

    NARCIS (Netherlands)

    Matusevych, Yevgen; Alishahi, Afra; Backus, Albert

    2017-01-01

    Cross-linguistic influence (CLI) is one of the key phenomena in bilingual and second language learning. We propose a method for quantifying CLI in the use of linguistic constructions with the help of a computational model, which acquires constructions in two languages from bilingual input. We focus

  3. Dynamics of nuclear fuel assemblies in vertical flow channels: computer modelling and associated studies

    International Nuclear Information System (INIS)

    Mason, V.A.; Pettigrew, M.J.; Lelli, G.; Kates, L.; Reimer, E.

    1978-10-01

    A computer model, designed to predict the dynamic behaviour of nuclear fuel assemblies in axial flow, is described in this report. The numerical methods used to construct and solve the matrix equations of motion in the model are discussed together with an outline of the method used to interpret the fuel assembly stability data. The mathematics developed for forced response calculations are described in detail. Certain structural and hydrodynamic modelling parameters must be determined by experiment. These parameters are identified and the methods used for their evaluation are briefly described. Examples of typical applications of the dynamic model are presented towards the end of the report. (author)

  4. Ecological effects of ionizing radiation on population and ecosystem: a computational model ecosystem study

    International Nuclear Information System (INIS)

    Doi, Masahiro; Fuma, Shoichi; Ishii, Nobuyuki; Sakashita, Tetsuya; Miyamoto, Kiriko; Takeda, Hiroshi; Kawabata, Zenichiro

    2003-01-01

    Ecosystem is a self-sustaining system of complexity, and their responses to the impacts are synergistic and subjected to the demographic stochasticity of the species, environmental stochasticity and randomness. Environmental fate and effects of radiation has ranged from observable DNA damage of the cell to the fare on tissues, individual, population, community and ecosystems. The quantitative, systematic individual-based model, SIM-COSM was developed to simulate impacts of radiation exposure and other toxicants on an aquatic microbial ecosystem (microcosm). The microcosm consists of heterotroph ciliate protozoa (Tetrahymena thermophila B) as a consumer, autotroph flagellate algae (Euglena gracilis Z) as a producer and saprotroph bacteria (Escherichia coli DH5) as a decomposer. The symbiosis among microbes is self-organized by realizing material cycle and sustained for more than 2 years after inoculation. The system can not afford to lose any one of the microbes to maintain its sustainability. Experimental ecotoxicological tests for (a) gamma radiation, (b) Manganese ions and (c) Gadolinium are summarized. Population dynamics of microbes in Microcosm and its computer simulations by SIM-COSM are shown together in a figure. Population dynamics in Microcosm and SIM-COSM exposed to 500 Gy of gamma-radiation at 50 days after inoculation are shown also in a figure. To take the effects on the interactions between species and environment into account, one option is to put the ecotoxicity tests as experimental micro ecosystem study and theoretical model ecosystem analysis. (M. Suetake)

  5. Study of distribution dose for chest radiography using the computational model ALDERSON/EGSnrc

    International Nuclear Information System (INIS)

    Muniz, B.C.; Menezes, C.J.M.

    2017-01-01

    Numerical dosimetry uses Computational Exposure Models (MCE) to perform dose studies in situations of radiation exposure without the need for individuals to be exposed. MCEs are essentially composed of a simulator of the radioactive source, a Monte Carlo code, and a phantom of voxels representing the human anatomy. The objective of this work was to perform a study of the dose distribution in the thoracic region in radiographic exams using the MCE ALDERSON / EGSnrc. For that, virtual simulations were performed using Monte Carlo Method techniques to calculate the dose in the simulator of voxels representative of the thoracic region. The results show that most beam energy was deposited in the skeleton for all simulated radiological techniques, while smaller fractions were deposited in the lungs and soft tissue. For example, at 90 kV voltage, 14% of the energy was deposited in the bone medium, while lungs and soft tissue receive only 5 and 3%, respectively. It is concluded that the ALDERSON / EGSnrc MCE can be used for studies of the dose distribution on chest radiographs used in radiodiagnosis practice, thus optimizing dose absorbed in the patient in clinical exams

  6. Enhanced diagnostic of skin conditions by polarized laser speckles: phantom studies and computer modeling

    Science.gov (United States)

    Tchvialeva, Lioudmila; Lee, Tim K.; Markhvida, Igor; Zeng, Haishan; Doronin, Alexander; Meglinski, Igor

    2014-03-01

    The incidence of the skin melanoma, the most commonly fatal form of skin cancer, is increasing faster than any other potentially preventable cancer. Clinical practice is currently hampered by the lack of the ability to rapidly screen the functional and morphological properties of tissues. In our previous study we show that the quantification of scattered laser light polarization provides a useful metrics for diagnostics of the malignant melanoma. In this study we exploit whether the image speckle could improve skin cancer diagnostic in comparison with the previously used free-space speckle. The study includes skin phantom measurements and computer modeling. To characterize the depolarization of light we measure the spatial distribution of speckle patterns and analyse their depolarization ratio taken into account radial symmetry. We examine the dependences of depolarization ratio vs. roughness for phantoms which optical properties are of the order of skin lesions. We demonstrate that the variation in bulk optical properties initiates the assessable changes in the depolarization ratio. We show that image speckle differentiates phantoms significantly better than free-space speckle. The results of experimental measurements are compared with the results of Monte Carlo simulation.

  7. DNA computing models

    CERN Document Server

    Ignatova, Zoya; Zimmermann, Karl-Heinz

    2008-01-01

    In this excellent text, the reader is given a comprehensive introduction to the field of DNA computing. The book emphasizes computational methods to tackle central problems of DNA computing, such as controlling living cells, building patterns, and generating nanomachines.

  8. Modeling biological problems in computer science: a case study in genome assembly.

    Science.gov (United States)

    Medvedev, Paul

    2018-01-30

    As computer scientists working in bioinformatics/computational biology, we often face the challenge of coming up with an algorithm to answer a biological question. This occurs in many areas, such as variant calling, alignment and assembly. In this tutorial, we use the example of the genome assembly problem to demonstrate how to go from a question in the biological realm to a solution in the computer science realm. We show the modeling process step-by-step, including all the intermediate failed attempts. Please note this is not an introduction to how genome assembly algorithms work and, if treated as such, would be incomplete and unnecessarily long-winded. © The Author(s) 2018. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  9. Computational study of a magnetic design to improve the diagnosis of malaria: 2D model

    International Nuclear Information System (INIS)

    Vyas, Siddharth; Genis, Vladimir; Friedman, Gary

    2017-01-01

    This paper investigates the feasibility of a cost effective high gradient magnetic separation based device for the detection and identification of malaria parasites in a blood sample. The design utilizes magnetic properties of hemozoin present in malaria-infected red blood cells (mRBCs) in order to separate and concentrate them inside a microfluidic channel slide for easier examination under the microscope. The design consists of a rectangular microfluidic channel with multiple magnetic wires positioned on top of and underneath it along the length of the channel at a small angle with respect to the channel axis. Strong magnetic field gradients, produced by the wires, exert sufficient magnetic forces on the mRBCs in order to separate and concentrate them in a specific region small enough to fit within the microscope field of view at magnifications typically required to identify the malaria parasite type. The feasibility of the device is studied using a model where the trajectories of the mRBCs inside the channel are determined using first-order ordinary differential equations (ODEs) solved numerically using a multistep ODE solver available within MATLAB. The mRBCs trajectories reveal that it is possible to separate and concentrate the mRBCs in less than 5 min, even in cases of very low parasitemia (1–10 parasites/µL of blood) using blood sample volumes of around 3 µL employed today. - Highlights: • A simple and cost-effective design is presented to improve the diagnosis of malaria. • The design is studied using a computational model. • It is possible to concentrate malaria-infected cells in a small area. • This can improve slide-examination and the efficiency of microscopists. • This can improve diagnosis of low-parasitemia and asymptomatic malaria.

  10. Computational study of a magnetic design to improve the diagnosis of malaria: 2D model

    Energy Technology Data Exchange (ETDEWEB)

    Vyas, Siddharth, E-mail: svyas76@gmail.com [Department of Electrical and Computer Engineering, Drexel University, Philadelphia, PA 19104 (United States); Department of Engineering Technology, Drexel University, Philadelphia, PA 19104 (United States); Genis, Vladimir [Department of Engineering Technology, Drexel University, Philadelphia, PA 19104 (United States); Friedman, Gary [Department of Electrical and Computer Engineering, Drexel University, Philadelphia, PA 19104 (United States)

    2017-02-01

    This paper investigates the feasibility of a cost effective high gradient magnetic separation based device for the detection and identification of malaria parasites in a blood sample. The design utilizes magnetic properties of hemozoin present in malaria-infected red blood cells (mRBCs) in order to separate and concentrate them inside a microfluidic channel slide for easier examination under the microscope. The design consists of a rectangular microfluidic channel with multiple magnetic wires positioned on top of and underneath it along the length of the channel at a small angle with respect to the channel axis. Strong magnetic field gradients, produced by the wires, exert sufficient magnetic forces on the mRBCs in order to separate and concentrate them in a specific region small enough to fit within the microscope field of view at magnifications typically required to identify the malaria parasite type. The feasibility of the device is studied using a model where the trajectories of the mRBCs inside the channel are determined using first-order ordinary differential equations (ODEs) solved numerically using a multistep ODE solver available within MATLAB. The mRBCs trajectories reveal that it is possible to separate and concentrate the mRBCs in less than 5 min, even in cases of very low parasitemia (1–10 parasites/µL of blood) using blood sample volumes of around 3 µL employed today. - Highlights: • A simple and cost-effective design is presented to improve the diagnosis of malaria. • The design is studied using a computational model. • It is possible to concentrate malaria-infected cells in a small area. • This can improve slide-examination and the efficiency of microscopists. • This can improve diagnosis of low-parasitemia and asymptomatic malaria.

  11. Opportunity for Realizing Ideal Computing System using Cloud Computing Model

    OpenAIRE

    Sreeramana Aithal; Vaikunth Pai T

    2017-01-01

    An ideal computing system is a computing system with ideal characteristics. The major components and their performance characteristics of such hypothetical system can be studied as a model with predicted input, output, system and environmental characteristics using the identified objectives of computing which can be used in any platform, any type of computing system, and for application automation, without making modifications in the form of structure, hardware, and software coding by an exte...

  12. Deriving Behaviour of Hodgkin Huxley model with fever dynamics: A computational study

    Directory of Open Access Journals (Sweden)

    Hasan ESKALEN

    2017-10-01

    Full Text Available A single neuron can be modeled by the set of differential equations. Hodgkin-Huxley (HH model, the one of the most famous neuron model, can be considered as a dynamical system with four independent variables. Here we studied to reduce the number of differential equation required for conductance based HH model under strong inhibitory noise. Exponential Integrate and Fire (EIF model, one independent variable, is used as a reduced model of HH model by using current-voltage (I-V curve of the original model. The required reduction parameters are determined from this curve. The behaviour of HH model and its reduced EIF (rEIF model are in good agreement in sub-threshold level. Above-threshold behaviour of reduced EIF model and original model compared in terms of threshold voltage under strong inhibitory noise. Our numerical simulations clearly show that sub-threshold behaviour of HH model perfectly reduced to rEIF model.

  13. Spectroscopic and computational studies of ionic clusters as models of solvation and atmospheric reactions

    Science.gov (United States)

    Kuwata, Keith T.

    Ionic clusters are useful as model systems for the study of fundamental processes in solution and in the atmosphere. Their structure and reactivity can be studied in detail using vibrational predissociation spectroscopy, in conjunction with high level ab initio calculations. This thesis presents the applications of infrared spectroscopy and computation to a variety of gas-phase cluster systems. A crucial component of the process of stratospheric ozone depletion is the action of polar stratospheric clouds (PSCs) to convert the reservoir species HCl and chlorine nitrate (ClONO2) to photochemically labile compounds. Quantum chemistry was used to explore one possible mechanism by which this activation is effected: Cl- + ClONO2 /to Cl2 + NO3- eqno(1)Correlated ab initio calculations predicted that the direct reaction of chloride ion with ClONO2 is facile, which was confirmed in an experimental kinetics study. In the reaction a weakly bound intermediate Cl2-NO3- is formed, with ~70% of the charge localized on the nitrate moiety. This enables the Cl2-NO3- cluster to be well solvated even in bulk solution, allowing (1) to be facile on PSCs. Quantum chemistry was also applied to the hydration of nitrosonium ion (NO+), an important process in the ionosphere. The calculations, in conjunction with an infrared spectroscopy experiment, revealed the structure of the gas-phase clusters NO+(H2O)n. The large degree of covalent interaction between NO+ and the lone pairs of the H2O ligands is contrasted with the weak electrostatic bonding between iodide ion and H2O. Finally, the competition between ion solvation and solvent self-association is explored for the gas-phase clusters Cl/-(H2O)n and Cl-(NH3)n. For the case of water, vibrational predissociation spectroscopy reveals less hydrogen bonding among H2O ligands than predicted by ab initio calculations. Nevertheless, for n /ge 5, cluster structure is dominated by water-water interactions, with Cl- only partially solvated by the

  14. Computer simulation study of the nematic-vapour interface in the Gay-Berne model

    Science.gov (United States)

    Rull, Luis F.; Romero-Enrique, José Manuel

    2017-06-01

    We present computer simulations of the vapour-nematic interface of the Gay-Berne model. We considered situations which correspond to either prolate or oblate molecules. We determine the anchoring of the nematic phase and correlate it with the intermolecular potential parameters. On the other hand, we evaluate the surface tension associated to this interface. We find a corresponding states law for the surface tension dependence on the temperature, valid for both prolate and oblate molecules.

  15. Plasticity modeling & computation

    CERN Document Server

    Borja, Ronaldo I

    2013-01-01

    There have been many excellent books written on the subject of plastic deformation in solids, but rarely can one find a textbook on this subject. “Plasticity Modeling & Computation” is a textbook written specifically for students who want to learn the theoretical, mathematical, and computational aspects of inelastic deformation in solids. It adopts a simple narrative style that is not mathematically overbearing, and has been written to emulate a professor giving a lecture on this subject inside a classroom. Each section is written to provide a balance between the relevant equations and the explanations behind them. Where relevant, sections end with one or more exercises designed to reinforce the understanding of the “lecture.” Color figures enhance the presentation and make the book very pleasant to read. For professors planning to use this textbook for their classes, the contents are sufficient for Parts A and B that can be taught in sequence over a period of two semesters or quarters.

  16. Climate Modeling Computing Needs Assessment

    Science.gov (United States)

    Petraska, K. E.; McCabe, J. D.

    2011-12-01

    This paper discusses early findings of an assessment of computing needs for NASA science, engineering and flight communities. The purpose of this assessment is to document a comprehensive set of computing needs that will allow us to better evaluate whether our computing assets are adequately structured to meet evolving demand. The early results are interesting, already pointing out improvements we can make today to get more out of the computing capacity we have, as well as potential game changing innovations for the future in how we apply information technology to science computing. Our objective is to learn how to leverage our resources in the best way possible to do more science for less money. Our approach in this assessment is threefold: Development of use case studies for science workflows; Creating a taxonomy and structure for describing science computing requirements; and characterizing agency computing, analysis, and visualization resources. As projects evolve, science data sets increase in a number of ways: in size, scope, timelines, complexity, and fidelity. Generating, processing, moving, and analyzing these data sets places distinct and discernable requirements on underlying computing, analysis, storage, and visualization systems. The initial focus group for this assessment is the Earth Science modeling community within NASA's Science Mission Directorate (SMD). As the assessment evolves, this focus will expand to other science communities across the agency. We will discuss our use cases, our framework for requirements and our characterizations, as well as our interview process, what we learned and how we plan to improve our materials after using them in the first round of interviews in the Earth Science Modeling community. We will describe our plans for how to expand this assessment, first into the Earth Science data analysis and remote sensing communities, and then throughout the full community of science, engineering and flight at NASA.

  17. Models of optical quantum computing

    Directory of Open Access Journals (Sweden)

    Krovi Hari

    2017-03-01

    Full Text Available I review some work on models of quantum computing, optical implementations of these models, as well as the associated computational power. In particular, we discuss the circuit model and cluster state implementations using quantum optics with various encodings such as dual rail encoding, Gottesman-Kitaev-Preskill encoding, and coherent state encoding. Then we discuss intermediate models of optical computing such as boson sampling and its variants. Finally, we review some recent work in optical implementations of adiabatic quantum computing and analog optical computing. We also provide a brief description of the relevant aspects from complexity theory needed to understand the results surveyed.

  18. A computational fluid dynamics modeling study of guide walls for downstream fish passage

    Science.gov (United States)

    Mulligan, Kevin; Towler, Brett; Haro, Alexander J.; Ahlfeld, David P.

    2017-01-01

    A partial-depth, impermeable guidance structure (or guide wall) for downstream fish passage is typically constructed as a series of panels attached to a floating boom and anchored across a water body (e.g. river channel, reservoir, or power canal). The downstream terminus of the wall is generally located nearby to a fish bypass structure. If guidance is successful, the fish will avoid entrainment in a dangerous intake structure (i.e. turbine intakes) while passing from the headpond to the tailwater of a hydroelectric facility through a safer passage route (i.e. the bypass). The goal of this study is to determine the combination of guide wall design parameters that will most likely increase the chance of surface-oriented fish being successfully guided to the bypass. To evaluate the flow field immediately upstream of a guide wall, a parameterized computational fluid dynamics model of an idealized power canal was constructed in © ANSYS Fluent v 14.5 (ANSYS Inc., 2012). The design parameters investigated were the angle and depth of the guide wall and the average approach velocity in the power canal. Results call attention to the importance of the downward to sweeping flow ratio and demonstrate how a change in guide wall depth and angle can affect this important hydraulic cue to out-migrating fish. The key findings indicate that a guide wall set at a small angle (15° is the minimum in this study) and deep enough such that sweeping flow dominant conditions prevail within the expected vertical distribution of fish approaching the structure will produce hydraulic conditions that are more likely to result in effective passage.

  19. Organization, maturation and plasticity of multisensory integration: Insights from computational modelling studies

    Directory of Open Access Journals (Sweden)

    Cristiano eCuppini

    2011-05-01

    Full Text Available In this paper, we present two neural network models - devoted to two specific and widely investigated aspects of multisensory integration - in order to evidence the potentialities of computational models to gain insight into the neural mechanisms underlying organization, development and plasticity of multisensory integration in the brain. The first model considers visual-auditory interaction in a midbrain structure named Superior Colliculus (SC. The model is able to reproduce and explain the main physiological features of multisensory integration in SC neurons and to describe how SC integrative capability – not present at birth - develops gradually during postnatal life depending on sensory experience with cross-modal stimuli. The second model tackles the problem of how tactile stimuli on a body part and visual (or auditory stimuli close to the same body part are integrated in multimodal parietal neurons to form the perception of peripersonal (i.e., near space. The model investigates how the extension of peripersonal space - where multimodal integration occurs - may be modified by experience such as use of a tool to interact with the far space. The utility of the modelling approach relies on several aspects: i The two models, although devoted to different problems and simulating different brain regions, share some common mechanisms (lateral inhibition and excitation, non-linear neuron characteristics, recurrent connections, competition, Hebbian rules of potentiation and depression that may govern more generally the fusion of senses in the brain, and the learning and plasticity of multisensory integration. ii The models may help interpretation of behavioural and psychophysical responses in terms of neural activity and synaptic connections. iii The models can make testable predictions that can help guiding future experiments in order to validate, reject, or modify the main assumptions.

  20. Computational Models of Rock Failure

    Science.gov (United States)

    May, Dave A.; Spiegelman, Marc

    2017-04-01

    Practitioners in computational geodynamics, as per many other branches of applied science, typically do not analyse the underlying PDE's being solved in order to establish the existence or uniqueness of solutions. Rather, such proofs are left to the mathematicians, and all too frequently these results lag far behind (in time) the applied research being conducted, are often unintelligible to the non-specialist, are buried in journals applied scientists simply do not read, or simply have not been proven. As practitioners, we are by definition pragmatic. Thus, rather than first analysing our PDE's, we first attempt to find approximate solutions by throwing all our computational methods and machinery at the given problem and hoping for the best. Typically this approach leads to a satisfactory outcome. Usually it is only if the numerical solutions "look odd" that we start delving deeper into the math. In this presentation I summarise our findings in relation to using pressure dependent (Drucker-Prager type) flow laws in a simplified model of continental extension in which the material is assumed to be an incompressible, highly viscous fluid. Such assumptions represent the current mainstream adopted in computational studies of mantle and lithosphere deformation within our community. In short, we conclude that for the parameter range of cohesion and friction angle relevant to studying rocks, the incompressibility constraint combined with a Drucker-Prager flow law can result in problems which have no solution. This is proven by a 1D analytic model and convincingly demonstrated by 2D numerical simulations. To date, we do not have a robust "fix" for this fundamental problem. The intent of this submission is to highlight the importance of simple analytic models, highlight some of the dangers / risks of interpreting numerical solutions without understanding the properties of the PDE we solved, and lastly to stimulate discussions to develop an improved computational model of

  1. Cosmic logic: a computational model

    International Nuclear Information System (INIS)

    Vanchurin, Vitaly

    2016-01-01

    We initiate a formal study of logical inferences in context of the measure problem in cosmology or what we call cosmic logic. We describe a simple computational model of cosmic logic suitable for analysis of, for example, discretized cosmological systems. The construction is based on a particular model of computation, developed by Alan Turing, with cosmic observers (CO), cosmic measures (CM) and cosmic symmetries (CS) described by Turing machines. CO machines always start with a blank tape and CM machines take CO's Turing number (also known as description number or Gödel number) as input and output the corresponding probability. Similarly, CS machines take CO's Turing number as input, but output either one if the CO machines are in the same equivalence class or zero otherwise. We argue that CS machines are more fundamental than CM machines and, thus, should be used as building blocks in constructing CM machines. We prove the non-computability of a CS machine which discriminates between two classes of CO machines: mortal that halts in finite time and immortal that runs forever. In context of eternal inflation this result implies that it is impossible to construct CM machines to compute probabilities on the set of all CO machines using cut-off prescriptions. The cut-off measures can still be used if the set is reduced to include only machines which halt after a finite and predetermined number of steps

  2. A physicist's model of computation

    International Nuclear Information System (INIS)

    Fredkin, E.

    1991-01-01

    An attempt is presented to make a statement about what a computer is and how it works from the perspective of physics. The single observation that computation can be a reversible process allows for the same kind of insight into computing as was obtained by Carnot's discovery that heat engines could be modelled as reversible processes. It allows us to bring computation into the realm of physics, where the power of physics allows us to ask and answer questions that seemed intractable from the viewpoint of computer science. Strangely enough, this effort makes it clear why computers get cheaper every year. (author) 14 refs., 4 figs

  3. Computational modeling in biomechanics

    CERN Document Server

    Mofrad, Mohammad

    2010-01-01

    This book provides a glimpse of the diverse and important roles that modern computational technology is playing in various areas of biomechanics. It includes unique chapters on ab initio quantum mechanical, molecular dynamic and scale coupling methods..

  4. Computational modeling to predict mechanical function of joints: application to the lower leg with simulation of two cadaver studies.

    Science.gov (United States)

    Liacouras, Peter C; Wayne, Jennifer S

    2007-12-01

    Computational models of musculoskeletal joints and limbs can provide useful information about joint mechanics. Validated models can be used as predictive devices for understanding joint function and serve as clinical tools for predicting the outcome of surgical procedures. A new computational modeling approach was developed for simulating joint kinematics that are dictated by bone/joint anatomy, ligamentous constraints, and applied loading. Three-dimensional computational models of the lower leg were created to illustrate the application of this new approach. Model development began with generating three-dimensional surfaces of each bone from CT images and then importing into the three-dimensional solid modeling software SOLIDWORKS and motion simulation package COSMOSMOTION. Through SOLIDWORKS and COSMOSMOTION, each bone surface file was filled to create a solid object and positioned necessary components added, and simulations executed. Three-dimensional contacts were added to inhibit intersection of the bones during motion. Ligaments were represented as linear springs. Model predictions were then validated by comparison to two different cadaver studies, syndesmotic injury and repair and ankle inversion following ligament transection. The syndesmotic injury model was able to predict tibial rotation, fibular rotation, and anterior/posterior displacement. In the inversion simulation, calcaneofibular ligament extension and angles of inversion compared well. Some experimental data proved harder to simulate accurately, due to certain software limitations and lack of complete experimental data. Other parameters that could not be easily obtained experimentally can be predicted and analyzed by the computational simulations. In the syndesmotic injury study, the force generated in the tibionavicular and calcaneofibular ligaments reduced with the insertion of the staple, indicating how this repair technique changes joint function. After transection of the calcaneofibular

  5. Preparation, characterization, drug release and computational modelling studies of antibiotics loaded amorphous chitin nanoparticles.

    Science.gov (United States)

    Gayathri, N K; Aparna, V; Maya, S; Biswas, Raja; Jayakumar, R; Mohan, C Gopi

    2017-12-01

    We present a computational investigation of binding affinity of different types of drugs with chitin nanocarriers. Understanding the chitn polymer-drug interaction is important to design and optimize the chitin based drug delivery systems. The binding affinity of three different types of anti-bacterial drugs Ethionamide (ETA) Methacycline (MET) and Rifampicin (RIF) with amorphous chitin nanoparticles (AC-NPs) were studied by integrating computational and experimental techniques. The binding energies (BE) of hydrophobic ETA, hydrophilic MET and hydrophobic RIF were -7.3kcal/mol, -5.1kcal/mol and -8.1kcal/mol respectively, with respect to AC-NPs, using molecular docking studies. This theoretical result was in good correlation with the experimental studies of AC-drug loading and drug entrapment efficiencies of MET (3.5±0.1 and 25± 2%), ETA (5.6±0.02 and 45±4%) and RIF (8.9±0.20 and 53±5%) drugs respectively. Stability studies of the drug encapsulated nanoparticles showed stable values of size, zeta and polydispersity index at 6°C temperature. The correlation between computational BE and experimental drug entrapment efficiencies of RIF, ETA and MET drugs with four AC-NPs strands were 0.999 respectively, while that of the drug loading efficiencies were 0.854 respectively. Further, the molecular docking results predict the atomic level details derived from the electrostatic, hydrogen bonding and hydrophobic interactions of the drug and nanoparticle for its encapsulation and loading in the chitin-based host-guest nanosystems. The present results thus revealed the drug loading and drug delivery insights and has the potential of reducing the time and cost of processing new antibiotic drug delivery nanosystem optimization, development and discovery. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Basic study on a lower-energy defibrillation method using computer simulation and cultured myocardial cell models.

    Science.gov (United States)

    Yaguchi, A; Nagase, K; Ishikawa, M; Iwasaka, T; Odagaki, M; Hosaka, H

    2006-01-01

    Computer simulation and myocardial cell models were used to evaluate a low-energy defibrillation technique. A generated spiral wave, considered to be a mechanism of fibrillation, and fibrillation were investigated using two myocardial sheet models: a two-dimensional computer simulation model and a two-dimensional experimental model. A new defibrillation technique that has few side effects, which are induced by the current passing into the patient's body, on cardiac muscle is desired. The purpose of the present study is to conduct a basic investigation into an efficient defibrillation method. In order to evaluate the defibrillation method, the propagation of excitation in the myocardial sheet is measured during the normal state and during fibrillation, respectively. The advantages of the low-energy defibrillation technique are then discussed based on the stimulation timing.

  7. [Computer optical topography: a study of the repeatability of the results of human body model examination].

    Science.gov (United States)

    Sarnadskiĭ, V N

    2007-01-01

    The problem of repeatability of the results of examination of a plastic human body model is considered. The model was examined in 7 positions using an optical topograph for kyphosis diagnosis. The examination was performed under television camera monitoring. It was shown that variation of the model position in the camera view affected the repeatability of the results of topographic examination, especially if the model-to-camera distance was changed. A study of the repeatability of the results of optical topographic examination can help to increase the reliability of the topographic method, which is widely used for medical screening of children and adolescents.

  8. Scenario and parameter studies on global deposition of radioactivity using the computer model GLODEP2

    International Nuclear Information System (INIS)

    Shapiro, C.S.

    1984-08-01

    The GLODEP2 computer code was utilized to determine biological impact to humans on a global scale using up-to-date estimates of biological risk. These risk factors use varied biological damage models for assessing effects. All the doses reported are the unsheltered, unweathered, smooth terrain, external gamma dose. We assume the unperturbed atmosphere in determining injection and deposition. Effects due to ''nuclear winter'' may invalidate this assumption. The calculations also include scenarios that attempt to assess the impact of the changing nature of the nuclear stockpile. In particular, the shift from larger to smaller yield nuclear devices significantly changes the injection pattern into the atmosphere, and hence significantly affects the radiation doses that ensue. We have also looked at injections into the equatorial atmosphere. In total, we report here the results for 8 scenarios. 10 refs., 6 figs., 11 tabs

  9. Mathematical Modeling and Computational Thinking

    Science.gov (United States)

    Sanford, John F.; Naidu, Jaideep T.

    2017-01-01

    The paper argues that mathematical modeling is the essence of computational thinking. Learning a computer language is a valuable assistance in learning logical thinking but of less assistance when learning problem-solving skills. The paper is third in a series and presents some examples of mathematical modeling using spreadsheets at an advanced…

  10. COMPUTATIONAL MODELS FOR SUSTAINABLE DEVELOPMENT

    OpenAIRE

    Monendra Grover; Rajesh Kumar; Tapan Kumar Mondal; S. Rajkumar

    2011-01-01

    Genetic erosion is a serious problem and computational models have been developed to prevent it. The computational modeling in this field not only includes (terrestrial) reserve design, but also decision modeling for related problems such as habitat restoration, marine reserve design, and nonreserve approaches to conservation management. Models have been formulated for evaluating tradeoffs between socioeconomic, biophysical, and spatial criteria in establishing marine reserves. The percolatio...

  11. Model of Procedure Usage – Results from a Qualitative Study to Inform Design of Computer-Based Procedures

    Energy Technology Data Exchange (ETDEWEB)

    Johanna H Oxstrand; Katya L Le Blanc

    2012-07-01

    The nuclear industry is constantly trying to find ways to decrease the human error rate, especially the human errors associated with procedure use. As a step toward the goal of improving procedure use performance, researchers, together with the nuclear industry, have been looking at replacing the current paper-based procedures with computer-based procedure systems. The concept of computer-based procedures is not new by any means; however most research has focused on procedures used in the main control room. Procedures reviewed in these efforts are mainly emergency operating procedures and normal operating procedures. Based on lessons learned for these previous efforts we are now exploring a more unknown application for computer based procedures - field procedures, i.e. procedures used by nuclear equipment operators and maintenance technicians. The Idaho National Laboratory, the Institute for Energy Technology, and participants from the U.S. commercial nuclear industry are collaborating in an applied research effort with the objective of developing requirements and specifications for a computer-based procedure system to be used by field operators. The goal is to identify the types of human errors that can be mitigated by using computer-based procedures and how to best design the computer-based procedures to do this. The underlying philosophy in the research effort is “Stop – Start – Continue”, i.e. what features from the use of paper-based procedures should we not incorporate (Stop), what should we keep (Continue), and what new features or work processes should be added (Start). One step in identifying the Stop – Start – Continue was to conduct a baseline study where affordances related to the current usage of paper-based procedures were identified. The purpose of the study was to develop a model of paper based procedure use which will help to identify desirable features for computer based procedure prototypes. Affordances such as note taking, markups

  12. Computer-Aided Modeling Framework

    DEFF Research Database (Denmark)

    Fedorova, Marina; Sin, Gürkan; Gani, Rafiqul

    Models are playing important roles in design and analysis of chemicals based products and the processes that manufacture them. Computer-aided methods and tools have the potential to reduce the number of experiments, which can be expensive and time consuming, and there is a benefit of working...... development and application. The proposed work is a part of the project for development of methods and tools that will allow systematic generation, analysis and solution of models for various objectives. It will use the computer-aided modeling framework that is based on a modeling methodology, which combines....... In this contribution, the concept of template-based modeling is presented and application is highlighted for the specific case of catalytic membrane fixed bed models. The modeling template is integrated in a generic computer-aided modeling framework. Furthermore, modeling templates enable the idea of model reuse...

  13. Extreme Scale Computing Studies

    Science.gov (United States)

    2010-12-01

    systems that would fall under the Exascale rubric . In this chapter, we first discuss the attributes by which achievement of the label “Exascale” may be...Carrington, and E. Strohmaier. A Genetic Algorithms Approach to Modeling the Performance of Memory-bound Computations. Reno, NV, November 2007. ACM/IEEE... genetic stochasticity (random mating, mutation, etc). Outcomes are thus stochastic as well, and ecologists wish to ask questions like, “What is the

  14. Computer-Aided Modelling and Analysis of PV Systems: A Comparative Study

    Directory of Open Access Journals (Sweden)

    Charalambos Koukouvaos

    2014-01-01

    Full Text Available Modern scientific advances have enabled remarkable efficacy for photovoltaic systems with regard to the exploitation of solar energy, boosting them into having a rapidly growing position among the systems developed for the production of renewable energy. However, in many cases the design, analysis, and control of photovoltaic systems are tasks which are quite complex and thus difficult to be carried out. In order to cope with this kind of problems, appropriate software tools have been developed either as standalone products or parts of general purpose software platforms used to model and simulate the generation, transmission, and distribution of solar energy. The utilization of this kind of software tools may be extremely helpful to the successful performance evaluation of energy systems with maximum accuracy and minimum cost in time and effort. The work presented in this paper aims on a first level at the performance analysis of various configurations of photovoltaic systems through computer-aided modelling. On a second level, it provides a comparative evaluation of the credibility of two of the most advanced graphical programming environments, namely, Simulink and LabVIEW, with regard to their application in photovoltaic systems.

  15. Computational Modeling in Tissue Engineering

    CERN Document Server

    2013-01-01

    One of the major challenges in tissue engineering is the translation of biological knowledge on complex cell and tissue behavior into a predictive and robust engineering process. Mastering this complexity is an essential step towards clinical applications of tissue engineering. This volume discusses computational modeling tools that allow studying the biological complexity in a more quantitative way. More specifically, computational tools can help in:  (i) quantifying and optimizing the tissue engineering product, e.g. by adapting scaffold design to optimize micro-environmental signals or by adapting selection criteria to improve homogeneity of the selected cell population; (ii) quantifying and optimizing the tissue engineering process, e.g. by adapting bioreactor design to improve quality and quantity of the final product; and (iii) assessing the influence of the in vivo environment on the behavior of the tissue engineering product, e.g. by investigating vascular ingrowth. The book presents examples of each...

  16. Computational Fluid Dynamics Study on the Effects of RATO Timing on the Scale Model Acoustic Test

    Science.gov (United States)

    Nielsen, Tanner; Williams, B.; West, Jeff

    2015-01-01

    The Scale Model Acoustic Test (SMAT) is a 5% scale test of the Space Launch System (SLS), which is currently being designed at Marshall Space Flight Center (MSFC). The purpose of this test is to characterize and understand a variety of acoustic phenomena that occur during the early portions of lift off, one being the overpressure environment that develops shortly after booster ignition. The SLS lift off configuration consists of four RS-25 liquid thrusters on the core stage, with two solid boosters connected to each side. Past experience with scale model testing at MSFC (in ER42), has shown that there is a delay in the ignition of the Rocket Assisted Take Off (RATO) motor, which is used as the 5% scale analog of the solid boosters, after the signal to ignite is given. This delay can range from 0 to 16.5ms. While this small of a delay maybe insignificant in the case of the full scale SLS, it can significantly alter the data obtained during the SMAT due to the much smaller geometry. The speed of sound of the air and combustion gas constituents is not scaled, and therefore the SMAT pressure waves propagate at approximately the same speed as occurs during full scale. However, the SMAT geometry is much smaller allowing the pressure waves to move down the exhaust duct, through the trench, and impact the vehicle model much faster than occurs at full scale. To better understand the effect of the RATO timing simultaneity on the SMAT IOP test data, a computational fluid dynamics (CFD) analysis was performed using the Loci/CHEM CFD software program. Five different timing offsets, based on RATO ignition delay statistics, were simulated. A variety of results and comparisons will be given, assessing the overall effect of RATO timing simultaneity on the SMAT overpressure environment.

  17. Running climate model on a commercial cloud computing environment: A case study using Community Earth System Model (CESM) on Amazon AWS

    Science.gov (United States)

    Chen, Xiuhong; Huang, Xianglei; Jiao, Chaoyi; Flanner, Mark G.; Raeker, Todd; Palen, Brock

    2017-01-01

    The suites of numerical models used for simulating climate of our planet are usually run on dedicated high-performance computing (HPC) resources. This study investigates an alternative to the usual approach, i.e. carrying out climate model simulations on commercially available cloud computing environment. We test the performance and reliability of running the CESM (Community Earth System Model), a flagship climate model in the United States developed by the National Center for Atmospheric Research (NCAR), on Amazon Web Service (AWS) EC2, the cloud computing environment by Amazon.com, Inc. StarCluster is used to create virtual computing cluster on the AWS EC2 for the CESM simulations. The wall-clock time for one year of CESM simulation on the AWS EC2 virtual cluster is comparable to the time spent for the same simulation on a local dedicated high-performance computing cluster with InfiniBand connections. The CESM simulation can be efficiently scaled with the number of CPU cores on the AWS EC2 virtual cluster environment up to 64 cores. For the standard configuration of the CESM at a spatial resolution of 1.9° latitude by 2.5° longitude, increasing the number of cores from 16 to 64 reduces the wall-clock running time by more than 50% and the scaling is nearly linear. Beyond 64 cores, the communication latency starts to outweigh the benefit of distributed computing and the parallel speedup becomes nearly unchanged.

  18. Computer modeling of liquid crystals

    International Nuclear Information System (INIS)

    Al-Barwani, M.S.

    1999-01-01

    In this thesis, we investigate several aspects of the behaviour of liquid crystal molecules near interfaces using computer simulation. We briefly discuss experiment, theoretical and computer simulation studies of some of the liquid crystal interfaces. We then describe three essentially independent research topics. The first of these concerns extensive simulations of a liquid crystal formed by long flexible molecules. We examined the bulk behaviour of the model and its structure. Studies of a film of smectic liquid crystal surrounded by vapour were also carried out. Extensive simulations were also done for a long-molecule/short-molecule mixture, studies were then carried out to investigate the liquid-vapour interface of the mixture. Next, we report the results of large scale simulations of soft-spherocylinders of two different lengths. We examined the bulk coexistence of the nematic and isotropic phases of the model. Once the bulk coexistence behaviour was known, properties of the nematic-isotropic interface were investigated. This was done by fitting order parameter and density profiles to appropriate mathematical functions and calculating the biaxial order parameter. We briefly discuss the ordering at the interfaces and make attempts to calculate the surface tension. Finally, in our third project, we study the effects of different surface topographies on creating bistable nematic liquid crystal devices. This was carried out using a model based on the discretisation of the free energy on a lattice. We use simulation to find the lowest energy states and investigate if they are degenerate in energy. We also test our model by studying the Frederiks transition and comparing with analytical and other simulation results. (author)

  19. Deformation of attractor landscape via cholinergic presynaptic modulations: a computational study using a phase neuron model.

    Directory of Open Access Journals (Sweden)

    Takashi Kanamaru

    Full Text Available Corticopetal acetylcholine (ACh is released transiently from the nucleus basalis of Meynert (NBM into the cortical layers and is associated with top-down attention. Recent experimental data suggest that this release of ACh disinhibits layer 2/3 pyramidal neurons (PYRs via muscarinic presynaptic effects on inhibitory synapses. Together with other possible presynaptic cholinergic effects on excitatory synapses, this may result in dynamic and temporal modifications of synapses associated with top-down attention. However, the system-level consequences and cognitive relevance of such disinhibitions are poorly understood. Herein, we propose a theoretical possibility that such transient modifications of connectivity associated with ACh release, in addition to top-down glutamatergic input, may provide a neural mechanism for the temporal reactivation of attractors as neural correlates of memories. With baseline levels of ACh, the brain returns to quasi-attractor states, exhibiting transitive dynamics between several intrinsic internal states. This suggests that top-down attention may cause the attention-induced deformations between two types of attractor landscapes: the quasi-attractor landscape (Q-landscape, present under low-ACh, non-attentional conditions and the attractor landscape (A-landscape, present under high-ACh, top-down attentional conditions. We present a conceptual computational model based on experimental knowledge of the structure of PYRs and interneurons (INs in cortical layers 1 and 2/3 and discuss the possible physiological implications of our results.

  20. The study of infrared target recognition at sea background based on visual attention computational model

    Science.gov (United States)

    Wang, Deng-wei; Zhang, Tian-xu; Shi, Wen-jun; Wei, Long-sheng; Wang, Xiao-ping; Ao, Guo-qing

    2009-07-01

    Infrared images at sea background are notorious for the low signal-to-noise ratio, therefore, the target recognition of infrared image through traditional methods is very difficult. In this paper, we present a novel target recognition method based on the integration of visual attention computational model and conventional approach (selective filtering and segmentation). The two distinct techniques for image processing are combined in a manner to utilize the strengths of both. The visual attention algorithm searches the salient regions automatically, and represented them by a set of winner points, at the same time, demonstrated the salient regions in terms of circles centered at these winner points. This provides a priori knowledge for the filtering and segmentation process. Based on the winner point, we construct a rectangular region to facilitate the filtering and segmentation, then the labeling operation will be added selectively by requirement. Making use of the labeled information, from the final segmentation result we obtain the positional information of the interested region, label the centroid on the corresponding original image, and finish the localization for the target. The cost time does not depend on the size of the image but the salient regions, therefore the consumed time is greatly reduced. The method is used in the recognition of several kinds of real infrared images, and the experimental results reveal the effectiveness of the algorithm presented in this paper.

  1. RFQ modeling computer program

    International Nuclear Information System (INIS)

    Potter, J.M.

    1985-01-01

    The mathematical background for a multiport-network-solving program is described. A method for accurately numerically modeling an arbitrary, continuous, multiport transmission line is discussed. A modification to the transmission-line equations to accommodate multiple rf drives is presented. An improved model for the radio-frequency quadrupole (RFQ) accelerator that corrects previous errors is given. This model permits treating the RFQ as a true eight-port network for simplicity in interpreting the field distribution and ensures that all modes propagate at the same velocity in the high-frequency limit. The flexibility of the multiport model is illustrated by simple modifications to otherwise two-dimensional systems that permit modeling them as linear chains of multiport networks

  2. Computer Based Modelling and Simulation

    Indian Academy of Sciences (India)

    GENERAL I ARTICLE. Computer Based ... universities, and later did system analysis, ... sonal computers (PC) and low cost software packages and tools. They can serve as useful learning experience through student projects. Models are .... Let us consider a numerical example: to calculate the velocity of a trainer aircraft ...

  3. Computational Modeling of Space Physiology

    Science.gov (United States)

    Lewandowski, Beth E.; Griffin, Devon W.

    2016-01-01

    The Digital Astronaut Project (DAP), within NASAs Human Research Program, develops and implements computational modeling for use in the mitigation of human health and performance risks associated with long duration spaceflight. Over the past decade, DAP developed models to provide insights into space flight related changes to the central nervous system, cardiovascular system and the musculoskeletal system. Examples of the models and their applications include biomechanical models applied to advanced exercise device development, bone fracture risk quantification for mission planning, accident investigation, bone health standards development, and occupant protection. The International Space Station (ISS), in its role as a testing ground for long duration spaceflight, has been an important platform for obtaining human spaceflight data. DAP has used preflight, in-flight and post-flight data from short and long duration astronauts for computational model development and validation. Examples include preflight and post-flight bone mineral density data, muscle cross-sectional area, and muscle strength measurements. Results from computational modeling supplement space physiology research by informing experimental design. Using these computational models, DAP personnel can easily identify both important factors associated with a phenomenon and areas where data are lacking. This presentation will provide examples of DAP computational models, the data used in model development and validation, and applications of the model.

  4. Proceedings of the meeting on computational and experimental studies for modeling of radionuclide migration in complex aquatic ecosystems

    International Nuclear Information System (INIS)

    Matsunaga, Takeshi; Hakanson, Lars

    2010-09-01

    The Research Group for Environmental Science of JAEA held a meeting on computational and experimental studies for modeling of radionuclide migration in complex aquatic ecosystems during November 16-20 of 2009. The aim was to discuss the relevance of various computational and experimental approaches to that modeling. The meeting was attended by a Swedish researcher, Prof. Dr. Lars Hakanson of Uppsala University. It included a joint talk at the Institute for Environmental Sciences, in addition to a field and facility survey of the JNFL commercial reprocessing plant located in Rokkasho, Aomori. The meeting demonstrated that it is crucial 1) to make a model structure be strictly relevant to the target objectives of a study and 2) to account for inherent fluctuations in target values in nature in a manner of qualitative parameterization. Moreover, it was confirmed that there can be multiple different approaches of modeling (e.g. detailed or simplified) with relevance for the objectives of a study. These discussions should be considered in model integration for complex aquatic ecosystems consisting catchments, rivers, lakes and coastal oceans which can interact with the atmosphere. This report compiles research subjects and lectures presented at the meeting with associated discussions. The 10 of the presented papers indexed individually. (J.P.N.)

  5. Computational models for the study of heart-lung interactions in mammals.

    Science.gov (United States)

    Ben-Tal, Alona

    2012-01-01

    The operation and regulation of the lungs and the heart are closely related. This is evident when examining the anatomy within the thorax cavity, in the brainstem and in the aortic and carotid arteries where chemoreceptors and baroreceptors, which provide feedback affecting the regulation of both organs, are concentrated. This is also evident in phenomena such as respiratory sinus arrhythmia where the heart rate increases during inspiration and decreases during expiration, in other types of synchronization between the heart and the lungs known as cardioventilatory coupling and in the association between heart failure and sleep apnea where breathing is interrupted periodically by periods of no-breathing. The full implication and physiological significance of the cardiorespiratory coupling under normal, pathological, or extreme physiological conditions are still unknown and are subject to ongoing investigation both experimentally and theoretically using mathematical models. This article reviews mathematical models that take heart-lung interactions into account. The main ideas behind low dimensional, phenomenological models for the study of the heart-lung synchronization and sleep apnea are described first. Higher dimensions, physiology-based models are described next. These models can vary widely in detail and scope and are characterized by the way the heart-lung interaction is taken into account: via gas exchange, via the central nervous system, via the mechanical interactions, and via time delays. The article emphasizes the need for the integration of the different sources of heart-lung coupling as well as the different mathematical approaches. Copyright © 2011 Wiley Periodicals, Inc.

  6. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms

    Science.gov (United States)

    Widdows, Kate L.; Panitchob, Nuttanont; Crocker, Ian P.; Please, Colin P.; Hanson, Mark A.; Sibley, Colin P.; Johnstone, Edward D.; Sengers, Bram G.; Lewis, Rohan M.; Glazier, Jocelyn D.

    2015-01-01

    Uptake of system L amino acid substrates into isolated placental plasma membrane vesicles in the absence of opposing side amino acid (zero-trans uptake) is incompatible with the concept of obligatory exchange, where influx of amino acid is coupled to efflux. We therefore hypothesized that system L amino acid exchange transporters are not fully obligatory and/or that amino acids are initially present inside the vesicles. To address this, we combined computational modeling with vesicle transport assays and transporter localization studies to investigate the mechanisms mediating [14C]l-serine (a system L substrate) transport into human placental microvillous plasma membrane (MVM) vesicles. The carrier model provided a quantitative framework to test the 2 hypotheses that l-serine transport occurs by either obligate exchange or nonobligate exchange coupled with facilitated transport (mixed transport model). The computational model could only account for experimental [14C]l-serine uptake data when the transporter was not exclusively in exchange mode, best described by the mixed transport model. MVM vesicle isolates contained endogenous amino acids allowing for potential contribution to zero-trans uptake. Both L-type amino acid transporter (LAT)1 and LAT2 subtypes of system L were distributed to MVM, with l-serine transport attributed to LAT2. These findings suggest that exchange transporters do not function exclusively as obligate exchangers.—Widdows, K. L., Panitchob, N., Crocker, I. P., Please, C. P., Hanson, M. A., Sibley, C. P., Johnstone, E. D., Sengers, B. G., Lewis, R. M., Glazier, J. D. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms. PMID:25761365

  7. Computational study of effects of tension imbalance on phonation in a three-dimensional tubular larynx model.

    Science.gov (United States)

    Xue, Qian; Zheng, Xudong; Mittal, Rajat; Bielamowicz, Steven

    2014-07-01

    The present study explores the use of a continuum-based computational model to investigate the effect of left-right tension imbalance on vocal fold (VF) vibrations and glottal aerodynamics, as well as its implication on phonation. The study allows us to gain new insights into the underlying physical mechanism of irregularities induced by VF tension imbalance associated with unilateral cricothyroid muscle paralysis. A three-dimensional simulation of glottal flow and VF dynamics in a tubular laryngeal model with tension imbalance was conducted by using a coupled flow-structure interaction computational model. Tension imbalance was modeled by reducing by 20% the Young's modulus of one of the VFs, while holding VF length constant. Effects of tension imbalance on vibratory characteristic of the VFs and on the time-varying properties of glottal airflow as well as the aerodynamic energy transfer are comprehensively analyzed. The analysis demonstrates that the continuum-based biomechanical model can provide a good description of phonatory dynamics in tension imbalance conditions. It is found that although 20% tension imbalance does not have noticeable effects on the fundamental frequency, it does lead to a larger glottal flow leakage and asymmetric vibrations of the two VFs. A detailed analysis of the energy transfer suggests that the majority of the energy is consumed by the lateral motion of the VFs and the net energy transferred to the softer fold is less than the one transferred to the normal fold. Copyright © 2014 The Voice Foundation. Published by Mosby, Inc. All rights reserved.

  8. Chaos Modelling with Computers

    Indian Academy of Sciences (India)

    Chaos is one of the major scientific discoveries of our times. In fact many scientists ... But there are other natural phenomena that are not predictable though ... characteristics of chaos. ... The position and velocity are all that are needed to determine the motion of a .... a system of equations that modelled the earth's weather ...

  9. Patient-Specific Computational Modeling

    CERN Document Server

    Peña, Estefanía

    2012-01-01

    This book addresses patient-specific modeling. It integrates computational modeling, experimental procedures, imagine clinical segmentation and mesh generation with the finite element method (FEM) to solve problems in computational biomedicine and bioengineering. Specific areas of interest include cardiovascular problems, ocular and muscular systems and soft tissue modeling. Patient-specific modeling has been the subject of serious research over the last seven years and interest in the area is continually growing and this area is expected to further develop in the near future.

  10. Computer model for ductile fracture

    International Nuclear Information System (INIS)

    Moran, B.; Reaugh, J. E.

    1979-01-01

    A computer model is described for predicting ductile fracture initiation and propagation. The computer fracture model is calibrated by simple and notched round-bar tension tests and a precracked compact tension test. The model is used to predict fracture initiation and propagation in a Charpy specimen and compare the results with experiments. The calibrated model provides a correlation between Charpy V-notch (CVN) fracture energy and any measure of fracture toughness, such as J/sub Ic/. A second simpler empirical correlation was obtained using the energy to initiate fracture in the Charpy specimen rather than total energy CVN, and compared the results with the empirical correlation of Rolfe and Novak

  11. Trust Models in Ubiquitous Computing

    DEFF Research Database (Denmark)

    Nielsen, Mogens; Krukow, Karl; Sassone, Vladimiro

    2008-01-01

    We recapture some of the arguments for trust-based technologies in ubiquitous computing, followed by a brief survey of some of the models of trust that have been introduced in this respect. Based on this, we argue for the need of more formal and foundational trust models.......We recapture some of the arguments for trust-based technologies in ubiquitous computing, followed by a brief survey of some of the models of trust that have been introduced in this respect. Based on this, we argue for the need of more formal and foundational trust models....

  12. Computational study of nonlinear plasma waves. I. Simulation model and monochromatic wave propagtion

    International Nuclear Information System (INIS)

    Matda, Y.; Crawford, F.W.

    1974-12-01

    An economical low noise plasma simulation model is applied to a series of problems associated with electrostatic wave propagation in a one-dimensional, collisionless, Maxwellian plasma, in the absence of magnetic field. The model is described and tested, first in the absence of an applied signal, and then with a small amplitude perturbation, to establish the low noise features and to verify the theoretical linear dispersion relation at wave energy levels as low as 0.000,001 of the plasma thermal energy. The method is then used to study propagation of an essentially monochromatic plane wave. Results on amplitude oscillation and nonlinear frequency shift are compared with available theories. The additional phenomena of sideband instability and satellite growth, stimulated by large amplitude wave propagation and the resulting particle trapping, are described. (auth)

  13. The baboon model under anaesthesia for in vivo cerebral blood flow studies using single photon emission computed tomographic (SPECT) techniques

    International Nuclear Information System (INIS)

    Dormehl, I.; Redelinghuys, F.; Hugo, N.; Oliver, D.; Pilloy, W.

    1992-01-01

    Single photon computed tomography of the brain can be useful in animal experimentation directed towards cerebral conditions. A well established and understood baboon model, necessarily under anaesthesia, could especially be valuable in such investigations. Six normal baboons were studied under various anesthetic agents and their combinations: ketamine, thiopentone, pentobarbitone and halothane. Cerebral blood flow (CBF) studies were performed with 99m Tc-HMPAO. CBF effects from various anaesthesia were detected, requiring careful choice of the anaesthesia for cerebral investigations. (author). 13 refs, 4 figs, 3 tabs

  14. The baboon model under anaesthesia for in vivo cerebral blood flow studies using single photon emission computed tomographic (SPECT) techniques

    Energy Technology Data Exchange (ETDEWEB)

    Dormehl, I.; Redelinghuys, F.; Hugo, N. [Pretoria Univ. (South Africa); Oliver, D.; Pilloy, W. [Medical Univ. of Southern Africa (MEDUNSA), Pretoria (South Africa)

    1992-12-31

    Single photon computed tomography of the brain can be useful in animal experimentation directed towards cerebral conditions. A well established and understood baboon model, necessarily under anaesthesia, could especially be valuable in such investigations. Six normal baboons were studied under various anesthetic agents and their combinations: ketamine, thiopentone, pentobarbitone and halothane. Cerebral blood flow (CBF) studies were performed with {sup 99m}Tc-HMPAO. CBF effects from various anaesthesia were detected, requiring careful choice of the anaesthesia for cerebral investigations. (author). 13 refs, 4 figs, 3 tabs.

  15. A report on intercomparison studies of computer programs which respectively model: i) radionuclide migration ii) equilibrium chemistry of groundwater

    International Nuclear Information System (INIS)

    Broyd, T.W.; McD Grant, M.; Cross, J.E.

    1985-01-01

    This report describes two intercomparison studies of computer programs which respectively model: i) radionuclide migration ii) equilibrium chemistry of groundwaters. These studies have been performed by running a series of test cases with each program and comparing the various results obtained. The work forms a part of the CEC MIRAGE project (MIgration of RAdionuclides in the GEosphere) and has been jointly funded by the CEC and the United Kingdom Department of the Environment. Presentations of the material contained herein were given at plenary meetings of the MIRAGE project in Brussels in March, 1984 (migration) and March, 1985 (equilibrium chemistry) respectively

  16. A computational model of selection by consequences.

    OpenAIRE

    McDowell, J J

    2004-01-01

    Darwinian selection by consequences was instantiated in a computational model that consisted of a repertoire of behaviors undergoing selection, reproduction, and mutation over many generations. The model in effect created a digital organism that emitted behavior continuously. The behavior of this digital organism was studied in three series of computational experiments that arranged reinforcement according to random-interval (RI) schedules. The quantitative features of the model were varied o...

  17. COMPUTATIONAL MODELING AND SIMULATION IN BIOLOGY TEACHING: A MINIMALLY EXPLORED FIELD OF STUDY WITH A LOT OF POTENTIAL

    Directory of Open Access Journals (Sweden)

    Sonia López

    2016-09-01

    Full Text Available This study is part of a research project that aims to characterize the epistemological, psychological and didactic presuppositions of science teachers (Biology, Physics, Chemistry that implement Computational Modeling and Simulation (CMS activities as a part of their teaching practice. We present here a synthesis of a literature review on the subject, evidencing how in the last two decades this form of computer usage for science teaching has boomed in disciplines such as Physics and Chemistry, but in a lesser degree in Biology. Additionally, in the works that dwell on the use of CMS in Biology, we identified a lack of theoretical bases that support their epistemological, psychological and/or didactic postures. Accordingly, this generates significant considerations for the fields of research and teacher instruction in Science Education.

  18. Trust models in ubiquitous computing.

    Science.gov (United States)

    Krukow, Karl; Nielsen, Mogens; Sassone, Vladimiro

    2008-10-28

    We recapture some of the arguments for trust-based technologies in ubiquitous computing, followed by a brief survey of some of the models of trust that have been introduced in this respect. Based on this, we argue for the need of more formal and foundational trust models.

  19. Computer Based Modelling and Simulation

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 6; Issue 3. Computer Based Modelling and Simulation - Modelling Deterministic Systems. N K Srinivasan. General Article Volume 6 Issue 3 March 2001 pp 46-54. Fulltext. Click here to view fulltext PDF. Permanent link:

  20. Selecting a Suitable Cloud Computing Technology Deployment Model for an Academic Institute : A Case Study

    Science.gov (United States)

    Ramachandran, N.; Sivaprakasam, P.; Thangamani, G.; Anand, G.

    2014-01-01

    Purpose: Cloud Computing (CC) technology is getting implemented rapidly in the educational sector to improve learning, research and other administrative process. As evident from the literature review, most of these implementations are happening in the western countries such as USA, UK, while the level of implementation of CC in developing…

  1. The Adoption of Grid Computing Technology by Organizations: A Quantitative Study Using Technology Acceptance Model

    Science.gov (United States)

    Udoh, Emmanuel E.

    2010-01-01

    Advances in grid technology have enabled some organizations to harness enormous computational power on demand. However, the prediction of widespread adoption of the grid technology has not materialized despite the obvious grid advantages. This situation has encouraged intense efforts to close the research gap in the grid adoption process. In this…

  2. Comparison of low-amplitude oscillatory shear in experimental and computational studies of model foams.

    Science.gov (United States)

    Lundberg, Micah; Krishan, Kapilanjan; Xu, Ning; O'Hern, Corey S; Dennin, Michael

    2009-04-01

    A fundamental difference between fluids and solids is their response to applied shear. Solids possess static shear moduli, while fluids do not. Complex fluids such as foams display an intermediate response to shear with nontrivial frequency-dependent shear moduli. In this paper, we conduct coordinated experiments and numerical simulations of model foams subjected to boundary-driven oscillatory planar shear. Our studies are performed on bubble rafts (experiments) and the bubble model (simulations) in two dimensions. We focus on the low-amplitude flow regime in which T1 events, i.e., bubble rearrangement events where originally touching bubbles switch nearest neighbors, do not occur, yet the system transitions from solid- to liquidlike behavior as the driving frequency is increased. In both simulations and experiments, we observe two distinct flow regimes. At low frequencies omega, the velocity profile of the bubbles increases linearly with distance from the stationary wall, and there is a nonzero total phase shift between the moving boundary and interior bubbles. In this frequency regime, the total phase shift scales as a power law Delta approximately omegan with n approximately 3. In contrast, for frequencies above a crossover frequency omega>omegap, the total phase shift Delta scales linearly with the driving frequency. At even higher frequencies above a characteristic frequency omeganl>omegap, the velocity profile changes from linear to nonlinear. We fully characterize this transition from solid- to liquidlike flow behavior in both the simulations and experiments and find qualitative and quantitative agreements for the characteristic frequencies.

  3. Molecular models of zinc phthalocyanines: semi-empirical molecular orbital computations and physicochemical properties studied by molecular mechanics simulations

    International Nuclear Information System (INIS)

    Gantchev, Tsvetan G.; van Lier, Johan E.; Hunting, Darel J.

    2005-01-01

    To build 3D-molecular models of Zinc-phthalocyanines (ZnPc) and to study their diverse chemical and photosensitization properties, we performed quantum mechanical molecular orbital (MO) semi-empirical (AM1) computations of the ground, excited singlet and triplet states as well as free radical (ionic) species. RHF and UHF (open shell) geometry optimizations led to near-perfect symmetrical ZnPc. Predicted ionization potentials (IP), electron affinities (EA) and lowest electronic transitions of ZnPc are in good agreement with the published experimental and theoretical data. The computation-derived D 4h /D 2h -symmetry 3D-structures of ground and excited states and free radicals of ZnPc, together with the frontier orbital energies and Mulliken electron population analysis enabled us to build robust molecular models. These models were used to predict important chemical-reactivity entities such as global electronegativity (χ), hardness (η) and local softness based on Fukui-functions analysis. Examples of molecular mechanics (MM) applications of the 3D-molecular models are presented as approaches to evaluate solvation free energy (ΔG 0 ) solv and to estimate ground- and excited- state oxidation/reduction potentials as well as intermolecular interactions and stability of ground and excited state dimers (exciplexes) and radical ion-pairs

  4. Motor circuit computer model based on studies of functional Nuclear Magnetic Resonance

    International Nuclear Information System (INIS)

    Garcia Ramo, Karla Batista; Rodriguez Rojas, Rafael; Carballo Barreda, Maylen

    2012-01-01

    The basal ganglia are a complex network of subcortical nuclei involved in motor control, sensorimotor integration, and cognitive processes. Their functioning and interaction with other cerebral structures remains as a subject of debate. The aim of the present work was to simulate the basal ganglia-thalamus-cortex circuitry interaction in motor program selection, supported by functional connectivity pattern obtained by functional nuclear magnetic resonance imaging. Determination of connections weights between neural populations by functional magnetic resonance imaging, contributed to a more realistic formulation of the model; and consequently to obtain similar results to clinical and experimental data. The network allowed to describe the participation of the basal ganglia in motor program selection and the changes in Parkinson disease. The simulation allowed to demonstrate that dopamine depletion above to 40 % leads to a loss of action selection capability, and to reflect the system adaptation ability to compensate dysfunction in Parkinson disease, coincident with experimental and clinical studies

  5. Innervation pattern of the suprascapular nerve within supraspinatus: a three-dimensional computer modeling study.

    Science.gov (United States)

    Hermenegildo, J A; Roberts, S L; Kim, S Y

    2014-05-01

    The relationship between the innervation pattern of the suprascapular nerve (SSN) and the muscle architecture of supraspinatus has not been thoroughly investigated. The supraspinatus is composed of two architecturally distinct regions: anterior and posterior. Each of these regions is further subdivided into three parts: superficial, middle and deep. The purpose of this study was to investigate the course of the SSN throughout the volume of supraspinatus and to relate the intramuscular branches to the distinct regions and parts of the supraspinatus. The SSN was dissected in thirty formalin embalmed cadaveric specimens and digitized throughout the muscle volume in six of those specimens. The digitized data were modeled using Autodesk(®) Maya(®) 2011. The three-dimensional (3D) models were used to relate the intramuscular innervation pattern to the muscle and tendon architecture defined by Kim et al. (2007, Clin Anat 20:648-655). The SSN bifurcated into two main trunks: medial and lateral. All parts of the anterior region were predominantly innervated by the medial trunk and its proximal and medial branches, whereas all parts of the posterior region predominantly by the lateral trunk and its posterolateral and/or posteromedial branches. The posterior region also received innervation from the proximal branch of the medial trunk in half of the specimens. These findings provide evidence that the anterior and posterior regions are distinct with respect to their innervation. The 3D map of the innervation pattern will aid in planning future clinical studies investigating muscle activation patterns and provide insight into possible injury of the nerve with supraspinatus pathology and surgical techniques. Copyright © 2013 Wiley Periodicals, Inc.

  6. Computational studies of tokamak plasmas

    International Nuclear Information System (INIS)

    Takizuka, Tomonori; Tsunematsu, Toshihide; Tokuda, Shinji

    1981-02-01

    Computational studies of tokamak plasmas are extensively advanced. Many computational codes have been developed by using several kinds of models, i.e., the finite element formulation of MHD equations, the time dependent multidimensional fluid model, and the particle model with the Monte-Carlo method. These codes are applied to the analyses of the equilibrium of an axisymmetric toroidal plasma (SELENE), the time evolution of the high-beta tokamak plasma (APOLLO), the low-n MHD stability (ERATO-J) and high-n ballooning mode stability (BOREAS) in the INTOR tokamak, the nonlinear MHD stability, such as the positional instability (AEOLUS-P), resistive internal mode (AEOLUS-I) etc., and the divertor functions. (author)

  7. Computer Modelling of Dynamic Processes

    Directory of Open Access Journals (Sweden)

    B. Rybakin

    2000-10-01

    Full Text Available Results of numerical modeling of dynamic problems are summed in the article up. These problems are characteristic for various areas of human activity, in particular for problem solving in ecology. The following problems are considered in the present work: computer modeling of dynamic effects on elastic-plastic bodies, calculation and determination of performances of gas streams in gas cleaning equipment, modeling of biogas formation processes.

  8. A study of self-propelled elastic cylindrical micro-swimmers using modeling and computation

    Science.gov (United States)

    Shi, Lingling; Čanić, Sunčica; Quaini, Annalisa; Pan, Tsorng-Whay

    2016-06-01

    We study propulsion of micro-swimmers in 3D creeping flow. The swimmers are assumed to be made of elastic cylindrical hollow tubes. The swimming is generated by the contractions of the tube's elastic membrane walls producing a traveling wave in the form of a ;step-function; traversing the swimmer from right to left, propelling the swimmer from left to right. The problem is motivated by medical applications such as drug delivery. The influence of several non-dimensional design parameters on the velocity of the swimmer is investigated, including the swimmer aspect ratio, and the amplitude of the traveling wave relative to the swimmer radius. An immersed boundary method based on a finite element method approach is successfully combined with an elastic spring network model to simulate the two-way fluid-structure interaction coupling between the elastic cylindrical tube and the flow of a 3D viscous, incompressible fluid. To gain a deeper insight into the influence of various parameters on the swimmer speed, a reduced 1D fluid-structure interaction model was derived and validated. It was found that fast swimmers are those with large tube aspect ratios, and with the amplitude of the traveling wave which is roughly 50% of the reference swimmer radius. It was shown that the speed of our ;optimal swimmer; is around 1.5 swimmer lengths per second, which is at the top of the class of all currently manufactured micro-swimmers swimming in low Reynolds number flows (Re =10-6), reported in [11].

  9. Computational models of complex systems

    CERN Document Server

    Dabbaghian, Vahid

    2014-01-01

    Computational and mathematical models provide us with the opportunities to investigate the complexities of real world problems. They allow us to apply our best analytical methods to define problems in a clearly mathematical manner and exhaustively test our solutions before committing expensive resources. This is made possible by assuming parameter(s) in a bounded environment, allowing for controllable experimentation, not always possible in live scenarios. For example, simulation of computational models allows the testing of theories in a manner that is both fundamentally deductive and experimental in nature. The main ingredients for such research ideas come from multiple disciplines and the importance of interdisciplinary research is well recognized by the scientific community. This book provides a window to the novel endeavours of the research communities to present their works by highlighting the value of computational modelling as a research tool when investigating complex systems. We hope that the reader...

  10. Computer Profiling Based Model for Investigation

    OpenAIRE

    Neeraj Choudhary; Nikhil Kumar Singh; Parmalik Singh

    2011-01-01

    Computer profiling is used for computer forensic analysis, and proposes and elaborates on a novel model for use in computer profiling, the computer profiling object model. The computer profiling object model is an information model which models a computer as objects with various attributes and inter-relationships. These together provide the information necessary for a human investigator or an automated reasoning engine to make judgments as to the probable usage and evidentiary value of a comp...

  11. Rule-based modeling: a computational approach for studying biomolecular site dynamics in cell signaling systems

    Science.gov (United States)

    Chylek, Lily A.; Harris, Leonard A.; Tung, Chang-Shung; Faeder, James R.; Lopez, Carlos F.

    2013-01-01

    Rule-based modeling was developed to address the limitations of traditional approaches for modeling chemical kinetics in cell signaling systems. These systems consist of multiple interacting biomolecules (e.g., proteins), which themselves consist of multiple parts (e.g., domains, linear motifs, and sites of phosphorylation). Consequently, biomolecules that mediate information processing generally have the potential to interact in multiple ways, with the number of possible complexes and post-translational modification states tending to grow exponentially with the number of binary interactions considered. As a result, only large reaction networks capture all possible consequences of the molecular interactions that occur in a cell signaling system, which is problematic because traditional modeling approaches for chemical kinetics (e.g., ordinary differential equations) require explicit network specification. This problem is circumvented through representation of interactions in terms of local rules. With this approach, network specification is implicit and model specification is concise. Concise representation results in a coarse graining of chemical kinetics, which is introduced because all reactions implied by a rule inherit the rate law associated with that rule. Coarse graining can be appropriate if interactions are modular, and the coarseness of a model can be adjusted as needed. Rules can be specified using specialized model-specification languages, and recently developed tools designed for specification of rule-based models allow one to leverage powerful software engineering capabilities. A rule-based model comprises a set of rules, which can be processed by general-purpose simulation and analysis tools to achieve different objectives (e.g., to perform either a deterministic or stochastic simulation). PMID:24123887

  12. Rule-based modeling: a computational approach for studying biomolecular site dynamics in cell signaling systems.

    Science.gov (United States)

    Chylek, Lily A; Harris, Leonard A; Tung, Chang-Shung; Faeder, James R; Lopez, Carlos F; Hlavacek, William S

    2014-01-01

    Rule-based modeling was developed to address the limitations of traditional approaches for modeling chemical kinetics in cell signaling systems. These systems consist of multiple interacting biomolecules (e.g., proteins), which themselves consist of multiple parts (e.g., domains, linear motifs, and sites of phosphorylation). Consequently, biomolecules that mediate information processing generally have the potential to interact in multiple ways, with the number of possible complexes and posttranslational modification states tending to grow exponentially with the number of binary interactions considered. As a result, only large reaction networks capture all possible consequences of the molecular interactions that occur in a cell signaling system, which is problematic because traditional modeling approaches for chemical kinetics (e.g., ordinary differential equations) require explicit network specification. This problem is circumvented through representation of interactions in terms of local rules. With this approach, network specification is implicit and model specification is concise. Concise representation results in a coarse graining of chemical kinetics, which is introduced because all reactions implied by a rule inherit the rate law associated with that rule. Coarse graining can be appropriate if interactions are modular, and the coarseness of a model can be adjusted as needed. Rules can be specified using specialized model-specification languages, and recently developed tools designed for specification of rule-based models allow one to leverage powerful software engineering capabilities. A rule-based model comprises a set of rules, which can be processed by general-purpose simulation and analysis tools to achieve different objectives (e.g., to perform either a deterministic or stochastic simulation). © 2013 Wiley Periodicals, Inc.

  13. Ranked retrieval of Computational Biology models.

    Science.gov (United States)

    Henkel, Ron; Endler, Lukas; Peters, Andre; Le Novère, Nicolas; Waltemath, Dagmar

    2010-08-11

    The study of biological systems demands computational support. If targeting a biological problem, the reuse of existing computational models can save time and effort. Deciding for potentially suitable models, however, becomes more challenging with the increasing number of computational models available, and even more when considering the models' growing complexity. Firstly, among a set of potential model candidates it is difficult to decide for the model that best suits ones needs. Secondly, it is hard to grasp the nature of an unknown model listed in a search result set, and to judge how well it fits for the particular problem one has in mind. Here we present an improved search approach for computational models of biological processes. It is based on existing retrieval and ranking methods from Information Retrieval. The approach incorporates annotations suggested by MIRIAM, and additional meta-information. It is now part of the search engine of BioModels Database, a standard repository for computational models. The introduced concept and implementation are, to our knowledge, the first application of Information Retrieval techniques on model search in Computational Systems Biology. Using the example of BioModels Database, it was shown that the approach is feasible and extends the current possibilities to search for relevant models. The advantages of our system over existing solutions are that we incorporate a rich set of meta-information, and that we provide the user with a relevance ranking of the models found for a query. Better search capabilities in model databases are expected to have a positive effect on the reuse of existing models.

  14. Getting computer models to communicate

    International Nuclear Information System (INIS)

    Caremoli, Ch.; Erhard, P.

    1999-01-01

    Today's computers have the processing power to deliver detailed and global simulations of complex industrial processes such as the operation of a nuclear reactor core. So should we be producing new, global numerical models to take full advantage of this new-found power? If so, it would be a long-term job. There is, however, another solution; to couple the existing validated numerical models together so that they work as one. (authors)

  15. The Syncardia™ total artificial heart: in vivo, in vitro, and computational modeling studies

    Science.gov (United States)

    Slepian, Marvin J.; Alemu, Yared; Soares, João Silva; Smith, Richard G.; Einav, Shmuel; Bluestein, Danny

    2014-01-01

    The SynCardia™ total artificial heart (TAH) is the only FDA-approved TAH in the world. The SynCardia™ TAH is a pneumatically driven, pulsatile system capable of flows of >9 L/min. The TAH is indicated for use as a bridge to transplantation (BTT) in patients at imminent risk of death from non-reversible bi-ventricular failure. In the Pivotal US approval trial the TAH achieved a BTT rate of >79%. Recently a multi-center, post-market approval study similarly demonstrated a comparable BTT rate. A major milestone was recently achieved for the TAH, with over 1100 TAHs having been implanted to date, with the bulk of implantation occurring at an ever increasing rate in the past few years. The TAH is most commonly utilized to save the lives of patients dying from end-stage bi-ventricular heart failure associated with ischemic or non-ischemic dilated cardiomyopathy. Beyond progressive chronic heart failure, the TAH has demonstrated great efficacy in supporting patients with acute irreversible heart failure associated with massive acute myocardial infarction. In recent years several diverse clinical scenarios have also proven to be well served by the TAH including severe heart failure associated with advanced congenital heart disease. failed or burned-out transplants, infiltrative and restrictive cardiomyopathies and failed ventricular assist devices. Looking to the future a major unmet need remains in providing total heart support for children and small adults. As such, the present TAH design must be scaled to fit the smaller patient, while providing equivalent, if not superior flow characteristics, shear profiles and overall device thrombogenicity. To aid in the development of a new “pediatric,” TAH an engineering methodology known as “Device Thrombogenicity Emulation (DTE)”, that we have recently developed and described, is being employed. Recently, to further our engineering understanding of the TAH, as steps towards next generation designs we have: (1

  16. Computational Modeling in Liver Surgery

    Directory of Open Access Journals (Sweden)

    Bruno Christ

    2017-11-01

    Full Text Available The need for extended liver resection is increasing due to the growing incidence of liver tumors in aging societies. Individualized surgical planning is the key for identifying the optimal resection strategy and to minimize the risk of postoperative liver failure and tumor recurrence. Current computational tools provide virtual planning of liver resection by taking into account the spatial relationship between the tumor and the hepatic vascular trees, as well as the size of the future liver remnant. However, size and function of the liver are not necessarily equivalent. Hence, determining the future liver volume might misestimate the future liver function, especially in cases of hepatic comorbidities such as hepatic steatosis. A systems medicine approach could be applied, including biological, medical, and surgical aspects, by integrating all available anatomical and functional information of the individual patient. Such an approach holds promise for better prediction of postoperative liver function and hence improved risk assessment. This review provides an overview of mathematical models related to the liver and its function and explores their potential relevance for computational liver surgery. We first summarize key facts of hepatic anatomy, physiology, and pathology relevant for hepatic surgery, followed by a description of the computational tools currently used in liver surgical planning. Then we present selected state-of-the-art computational liver models potentially useful to support liver surgery. Finally, we discuss the main challenges that will need to be addressed when developing advanced computational planning tools in the context of liver surgery.

  17. Deterministic and Stochastic Study for an Infected Computer Network Model Powered by a System of Antivirus Programs

    Directory of Open Access Journals (Sweden)

    Youness El Ansari

    2017-01-01

    Full Text Available We investigate the various conditions that control the extinction and stability of a nonlinear mathematical spread model with stochastic perturbations. This model describes the spread of viruses into an infected computer network which is powered by a system of antivirus software. The system is analyzed by using the stability theory of stochastic differential equations and the computer simulations. First, we study the global stability of the virus-free equilibrium state and the virus-epidemic equilibrium state. Furthermore, we use the Itô formula and some other theoretical theorems of stochastic differential equation to discuss the extinction and the stationary distribution of our system. The analysis gives a sufficient condition for the infection to be extinct (i.e., the number of viruses tends exponentially to zero. The ergodicity of the solution and the stationary distribution can be obtained if the basic reproduction number Rp is bigger than 1, and the intensities of stochastic fluctuations are small enough. Numerical simulations are carried out to illustrate the theoretical results.

  18. Formation of the Actor's/Speaker's Formant: A Study Applying Spectrum Analysis and Computer Modeling

    Czech Academy of Sciences Publication Activity Database

    Leino, T.; Laukkanen, A. M.; Radolf, Vojtěch

    2011-01-01

    Roč. 25, č. 2 (2011), s. 150-158 ISSN 0892-1997 R&D Projects: GA ČR GA101/08/1155 Institutional research plan: CEZ:AV0Z20760514 Keywords : vocal exercising * voice quality * spectrum analysis * mathematical modeling Subject RIV: BI - Acoustics Impact factor: 1.390, year: 2011

  19. Comparison of Acceleration and Impact Stress as Possible Loading Factors in Phonation: A Computer Modeling Study

    Czech Academy of Sciences Publication Activity Database

    Horáček, Jaromír; Laukkanen, A. M.; Šidlof, Petr; Murphy, P.; Švec, J. G.

    2009-01-01

    Roč. 61, č. 3 (2009), s. 137-145 ISSN 1021-7762 R&D Projects: GA ČR(CZ) GA101/08/1155 Institutional research plan: CEZ:AV0Z20760514 Keywords : biomechanics of voice modeling * fundamental frequency * phoniation type * gender differences in voice Subject RIV: BI - Acoustics Impact factor: 1.439, year: 2007

  20. Development of an Operational Altitude Decompression Sickness Computer Model: Feasibility Study Results

    Science.gov (United States)

    1995-08-01

    1955;36pp. 44. Eger El. II. A mathematical model of uptake and distribution, ch. 7, pp.72-87 In E. M. Papper and R. J. Kitz (eds.). Uptake and...Space Environ. Med. 1992;63:386. 119. Papper EM and Kitz RJ. Uptake and distribution of anesthetic agents. New York: McGraw Hill, 1963. 67 120. Per W and

  1. Building an application for computing the resource requests such as disk, CPU, and tape and studying the time evolution of computing model

    CERN Document Server

    Noormandipour, Mohammad Reza

    2017-01-01

    The goal of this project was building an application to calculate the computing resources needed by the LHCb experiment for data processing and analysis, and to predict their evolution in future years. The source code was developed in the Python programming language and the application built and developed in CERN GitLab. This application will facilitate the calculation of resources required by LHCb in both qualitative and quantitative aspects. The granularity of computations is improved to a weekly basis, in contrast with the yearly basis used so far. The LHCb computing model will benefit from the new possibilities and options added, as the new predictions and calculations are aimed at giving more realistic and accurate estimates.

  2. The Coda of the Transient Response in a Sensitive Cochlea: A Computational Modeling Study.

    Directory of Open Access Journals (Sweden)

    Yizeng Li

    2016-07-01

    Full Text Available In a sensitive cochlea, the basilar membrane response to transient excitation of any kind-normal acoustic or artificial intracochlear excitation-consists of not only a primary impulse but also a coda of delayed secondary responses with varying amplitudes but similar spectral content around the characteristic frequency of the measurement location. The coda, sometimes referred to as echoes or ringing, has been described as a form of local, short term memory which may influence the ability of the auditory system to detect gaps in an acoustic stimulus such as speech. Depending on the individual cochlea, the temporal gap between the primary impulse and the following coda ranges from once to thrice the group delay of the primary impulse (the group delay of the primary impulse is on the order of a few hundred microseconds. The coda is physiologically vulnerable, disappearing when the cochlea is compromised even slightly. The multicomponent sensitive response is not yet completely understood. We use a physiologically-based, mathematical model to investigate (i the generation of the primary impulse response and the dependence of the group delay on the various stimulation methods, (ii the effect of spatial perturbations in the properties of mechanically sensitive ion channels on the generation and separation of delayed secondary responses. The model suggests that the presence of the secondary responses depends on the wavenumber content of a perturbation and the activity level of the cochlea. In addition, the model shows that the varying temporal gaps between adjacent coda seen in experiments depend on the individual profiles of perturbations. Implications for non-invasive cochlear diagnosis are also discussed.

  3. Novel Polyurethane Matrix Systems Reveal a Particular Sustained Release Behavior Studied by Imaging and Computational Modeling.

    Science.gov (United States)

    Campiñez, María Dolores; Caraballo, Isidoro; Puchkov, Maxim; Kuentz, Martin

    2017-07-01

    The aim of the present work was to better understand the drug-release mechanism from sustained release matrices prepared with two new polyurethanes, using a novel in silico formulation tool based on 3-dimensional cellular automata. For this purpose, two polymers and theophylline as model drug were used to prepare binary matrix tablets. Each formulation was simulated in silico, and its release behavior was compared to the experimental drug release profiles. Furthermore, the polymer distributions in the tablets were imaged by scanning electron microscopy (SEM) and the changes produced by the tortuosity were quantified and verified using experimental data. The obtained results showed that the polymers exhibited a surprisingly high ability for controlling drug release at low excipient concentrations (only 10% w/w of excipient controlled the release of drug during almost 8 h). The mesoscopic in silico model helped to reveal how the novel biopolymers were controlling drug release. The mechanism was found to be a special geometrical arrangement of the excipient particles, creating an almost continuous barrier surrounding the drug in a very effective way, comparable to lipid or waxy excipients but with the advantages of a much higher compactability, stability, and absence of excipient polymorphism.

  4. A Computational Model of Selection by Consequences

    Science.gov (United States)

    McDowell, J. J.

    2004-01-01

    Darwinian selection by consequences was instantiated in a computational model that consisted of a repertoire of behaviors undergoing selection, reproduction, and mutation over many generations. The model in effect created a digital organism that emitted behavior continuously. The behavior of this digital organism was studied in three series of…

  5. A Computer Program for Practical Semivariogram Modeling and Ordinary Kriging: A Case Study of Porosity Distribution in an Oil Field

    Science.gov (United States)

    Mert, Bayram Ali; Dag, Ahmet

    2017-12-01

    In this study, firstly, a practical and educational geostatistical program (JeoStat) was developed, and then example analysis of porosity parameter distribution, using oilfield data, was presented. With this program, two or three-dimensional variogram analysis can be performed by using normal, log-normal or indicator transformed data. In these analyses, JeoStat offers seven commonly used theoretical variogram models (Spherical, Gaussian, Exponential, Linear, Generalized Linear, Hole Effect and Paddington Mix) to the users. These theoretical models can be easily and quickly fitted to experimental models using a mouse. JeoStat uses ordinary kriging interpolation technique for computation of point or block estimate, and also uses cross-validation test techniques for validation of the fitted theoretical model. All the results obtained by the analysis as well as all the graphics such as histogram, variogram and kriging estimation maps can be saved to the hard drive, including digitised graphics and maps. As such, the numerical values of any point in the map can be monitored using a mouse and text boxes. This program is available to students, researchers, consultants and corporations of any size free of charge. The JeoStat software package and source codes available at: http://www.jeostat.com/JeoStat_2017.0.rar.

  6. Parallel computing in enterprise modeling.

    Energy Technology Data Exchange (ETDEWEB)

    Goldsby, Michael E.; Armstrong, Robert C.; Shneider, Max S.; Vanderveen, Keith; Ray, Jaideep; Heath, Zach; Allan, Benjamin A.

    2008-08-01

    This report presents the results of our efforts to apply high-performance computing to entity-based simulations with a multi-use plugin for parallel computing. We use the term 'Entity-based simulation' to describe a class of simulation which includes both discrete event simulation and agent based simulation. What simulations of this class share, and what differs from more traditional models, is that the result sought is emergent from a large number of contributing entities. Logistic, economic and social simulations are members of this class where things or people are organized or self-organize to produce a solution. Entity-based problems never have an a priori ergodic principle that will greatly simplify calculations. Because the results of entity-based simulations can only be realized at scale, scalable computing is de rigueur for large problems. Having said that, the absence of a spatial organizing principal makes the decomposition of the problem onto processors problematic. In addition, practitioners in this domain commonly use the Java programming language which presents its own problems in a high-performance setting. The plugin we have developed, called the Parallel Particle Data Model, overcomes both of these obstacles and is now being used by two Sandia frameworks: the Decision Analysis Center, and the Seldon social simulation facility. While the ability to engage U.S.-sized problems is now available to the Decision Analysis Center, this plugin is central to the success of Seldon. Because Seldon relies on computationally intensive cognitive sub-models, this work is necessary to achieve the scale necessary for realistic results. With the recent upheavals in the financial markets, and the inscrutability of terrorist activity, this simulation domain will likely need a capability with ever greater fidelity. High-performance computing will play an important part in enabling that greater fidelity.

  7. Minimal models of multidimensional computations.

    Directory of Open Access Journals (Sweden)

    Jeffrey D Fitzgerald

    2011-03-01

    Full Text Available The multidimensional computations performed by many biological systems are often characterized with limited information about the correlations between inputs and outputs. Given this limitation, our approach is to construct the maximum noise entropy response function of the system, leading to a closed-form and minimally biased model consistent with a given set of constraints on the input/output moments; the result is equivalent to conditional random field models from machine learning. For systems with binary outputs, such as neurons encoding sensory stimuli, the maximum noise entropy models are logistic functions whose arguments depend on the constraints. A constraint on the average output turns the binary maximum noise entropy models into minimum mutual information models, allowing for the calculation of the information content of the constraints and an information theoretic characterization of the system's computations. We use this approach to analyze the nonlinear input/output functions in macaque retina and thalamus; although these systems have been previously shown to be responsive to two input dimensions, the functional form of the response function in this reduced space had not been unambiguously identified. A second order model based on the logistic function is found to be both necessary and sufficient to accurately describe the neural responses to naturalistic stimuli, accounting for an average of 93% of the mutual information with a small number of parameters. Thus, despite the fact that the stimulus is highly non-Gaussian, the vast majority of the information in the neural responses is related to first and second order correlations. Our results suggest a principled and unbiased way to model multidimensional computations and determine the statistics of the inputs that are being encoded in the outputs.

  8. Selective stimulation of sacral nerve roots for bladder control: a study by computer modeling

    NARCIS (Netherlands)

    Rijkhoff, N. J.; Holsheimer, J.; Koldewijn, E. L.; Struijk, J. J.; van Kerrebroeck, P. E.; Debruyne, F. M.; Wijkstra, H.

    1994-01-01

    The aim of this study was to investigate theoretically the conditions for the activation of the detrusor muscle without activation of the urethral sphincter and afferent fibers, when stimulating the related sacral roots. Therefore, the sensitivity of excitation and blocking thresholds of nerve

  9. Room acoustics computer modelling: Study of the effect of source directivity on auralizations

    DEFF Research Database (Denmark)

    Vigeant, Michelle C.; Wang, Lily M.; Rindel, Jens Holger

    2006-01-01

    auralizations made with one, four and thirteen channels, with three different instrument types and subjects rated differences in realism. An analysis of variance (ANOVA) was carried out to determine the effect of the number of channels and instrument on realism. The primary result from this study...

  10. Validation of a computer modelled forensic facial reconstruction technique using CT data from live subjects: a pilot study.

    Science.gov (United States)

    Short, Laura J; Khambay, Balvinder; Ayoub, Ashraf; Erolin, Caroline; Rynn, Chris; Wilkinson, Caroline

    2014-04-01

    Human forensic facial soft tissue reconstructions are used when post-mortem deterioration makes identification difficult by usual means. The aim is to trigger recognition of the in vivo countenance of the individual by a friend or family member. A further use is in the field of archaeology. There are a number of different methods that can be applied to complete the facial reconstruction, ranging from two dimensional drawings, three dimensional clay models and now, with the advances of three dimensional technology, three dimensional computerised modelling. Studies carried out to assess the accuracy of facial reconstructions have produced variable results over the years. Advances in three dimensional imaging techniques in the field of oral and maxillofacial surgery, particularly cone beam computed tomography (CBCT), now provides an opportunity to utilise the data of live subjects and assess the accuracy of the three dimensional computerised facial reconstruction technique. The aim of this study was to assess the accuracy of a computer modelled facial reconstruction technique using CBCT data from live subjects. This retrospective pilot study was carried out at the Glasgow Dental Hospital Orthodontic Department and the Centre of Anatomy and Human Identification, Dundee University School of Life Sciences. Ten patients (5 male and 5 female; mean age 23 years) with mild skeletal discrepancies with pre-surgical cone beam CT data (CBCT) were included in this study. The actual and forensic reconstruction soft tissues were analysed using 3D software to look at differences between landmarks, linear and angular measurements and surface meshes. There were no statistical differences for 18 out of the 23 linear and 7 out of 8 angular measurements between the reconstruction and the target (p<0.05). The use of Procrustes superimposition has highlighted potential problems with soft tissue depth and anatomical landmarks' position. Surface mesh analysis showed that this virtual

  11. Security Management Model in Cloud Computing Environment

    OpenAIRE

    Ahmadpanah, Seyed Hossein

    2016-01-01

    In the cloud computing environment, cloud virtual machine (VM) will be more and more the number of virtual machine security and management faced giant Challenge. In order to address security issues cloud computing virtualization environment, this paper presents a virtual machine based on efficient and dynamic deployment VM security management model state migration and scheduling, study of which virtual machine security architecture, based on AHP (Analytic Hierarchy Process) virtual machine de...

  12. Ewe: a computer model for ultrasonic inspection

    International Nuclear Information System (INIS)

    Douglas, S.R.; Chaplin, K.R.

    1991-11-01

    The computer program EWE simulates the propagation of elastic waves in solids and liquids. It has been applied to ultrasonic testing to study the echoes generated by cracks and other types of defects. A discussion of the elastic wave equations is given, including the first-order formulation, shear and compression waves, surface waves and boundaries, numerical method of solution, models for cracks and slot defects, input wave generation, returning echo construction, and general computer issues

  13. Studi Perbandingan Layanan Cloud Computing

    Directory of Open Access Journals (Sweden)

    Afdhal Afdhal

    2014-03-01

    Full Text Available In the past few years, cloud computing has became a dominant topic in the IT area. Cloud computing offers hardware, infrastructure, platform and applications without requiring end-users knowledge of the physical location and the configuration of providers who deliver the services. It has been a good solution to increase reliability, reduce computing cost, and make opportunities to IT industries to get more advantages. The purpose of this article is to present a better understanding of cloud delivery service, correlation and inter-dependency. This article compares and contrasts the different levels of delivery services and the development models, identify issues, and future directions on cloud computing. The end-users comprehension of cloud computing delivery service classification will equip them with knowledge to determine and decide which business model that will be chosen and adopted securely and comfortably. The last part of this article provides several recommendations for cloud computing service providers and end-users.

  14. Computational modeling on the recognition of the HRE motif by HIF-1: molecular docking and molecular dynamics studies.

    Science.gov (United States)

    Sokkar, Pandian; Sathis, Vani; Ramachandran, Murugesan

    2012-05-01

    Hypoxia inducible factor-1 (HIF-1) is a bHLH-family transcription factor that controls genes involved in glycolysis, angiogenesis, migration, as well as invasion factors that are important for tumor progression and metastasis. HIF-1, a heterodimer of HIF-1α and HIF-1β, binds to the hypoxia responsive element (HRE) present in the promoter regions of hypoxia responsive genes, such as vascular endothelial growth factor (VEGF). Neither the structure of free HIF-1 nor that of its complex with HRE is available. Computational modeling of the transcription factor-DNA complex has always been challenging due to their inherent flexibility and large conformational space. The present study aims to model the interaction between the DNA-binding domain of HIF-1 and HRE. Experiments showed that rigid macromolecular docking programs (HEX and GRAMM-X) failed to predict the optimal dimerization of individually modeled HIF-1 subunits. Hence, the HIF-1 heterodimer was modeled based on the phosphate system positive regulatory protein (PHO4) homodimer. The duplex VEGF-DNA segment containing HRE with flanking nucleotides was modeled in the B form and equilibrated via molecular dynamics (MD) simulation. A rigid docking approach was used to predict the crude binding mode of HIF-1 dimer with HRE, in which the putative contacts were found to be present. An MD simulation (5 ns) of the HIF-1-HRE complex in explicit water was performed to account for its flexibility and to optimize its interactions. All of the conserved amino acid residues were found to play roles in the recognition of HRE. The present work, which sheds light on the recognition of HRE by HIF-1, could be beneficial in the design of peptide or small molecule therapeutics that can mimic HIF-1 and bind with the HRE sequence.

  15. Finite difference computing with exponential decay models

    CERN Document Server

    Langtangen, Hans Petter

    2016-01-01

    This text provides a very simple, initial introduction to the complete scientific computing pipeline: models, discretization, algorithms, programming, verification, and visualization. The pedagogical strategy is to use one case study – an ordinary differential equation describing exponential decay processes – to illustrate fundamental concepts in mathematics and computer science. The book is easy to read and only requires a command of one-variable calculus and some very basic knowledge about computer programming. Contrary to similar texts on numerical methods and programming, this text has a much stronger focus on implementation and teaches testing and software engineering in particular. .

  16. Business model elements impacting cloud computing adoption

    DEFF Research Database (Denmark)

    Bogataj, Kristina; Pucihar, Andreja; Sudzina, Frantisek

    The paper presents a proposed research framework for identification of business model elements impacting Cloud Computing Adoption. We provide a definition of main Cloud Computing characteristics, discuss previous findings on factors impacting Cloud Computing Adoption, and investigate technology a...

  17. Using FlowLab, an educational computational fluid dynamics tool, to perform a comparative study of turbulence models

    International Nuclear Information System (INIS)

    Parihar, A.; Kulkarni, A.; Stern, F.; Xing, T.; Moeykens, S.

    2005-01-01

    Flow over an Ahmed body is a key benchmark case for validating the complex turbulent flow field around vehicles. In spite of the simple geometry, the flow field around an Ahmed body retains critical features of real, external vehicular flow. The present study is an attempt to implement such a real life example into the course curriculum for undergraduate engineers. FlowLab, which is a Computational Fluid Dynamics (CFD) tool developed by Fluent Inc. for use in engineering education, allows students to conduct interactive application studies. This paper presents a synopsis of FlowLab, a description of one FlowLab exercise, and an overview of the educational experience gained by students through using FlowLab, which is understood through student surveys and examinations. FlowLab-based CFD exercises were implemented into 57:020 Mechanics of Fluids and Transport Processes and 58:160 Intermediate Mechanics of Fluids courses at the University of Iowa in the fall of 2004, although this report focuses only on experiences with the Ahmed body exercise, which was used only in the intermediate-level fluids class, 58:160. This exercise was developed under National Science Foundation funding by the authors of this paper. The focus of this study does not include validating the various turbulence models used for the Ahmed body simulation, because a two-dimensional simplification was applied. With the two-dimensional simplification, students may setup, run, and post process this model in a 50 minute class period using a single-CPU PC, as required for the 58:160 class at the University of Iowa. It is educational for students to understand the implication of a two- dimensional approximation for essentially a three-dimensional flow field, along with the consequent variation in both qualitative and quantitative results. Additionally, through this exercise, students may realize that the choice of the respective turbulence model will affect simulation prediction. (author)

  18. Spectroscopic and computational study of a nonheme iron nitrosyl center in a biosynthetic model of nitric oxide reductase.

    Science.gov (United States)

    Chakraborty, Saumen; Reed, Julian; Ross, Matthew; Nilges, Mark J; Petrik, Igor D; Ghosh, Soumya; Hammes-Schiffer, Sharon; Sage, J Timothy; Zhang, Yong; Schulz, Charles E; Lu, Yi

    2014-02-24

    A major barrier to understanding the mechanism of nitric oxide reductases (NORs) is the lack of a selective probe of NO binding to the nonheme FeB center. By replacing the heme in a biosynthetic model of NORs, which structurally and functionally mimics NORs, with isostructural ZnPP, the electronic structure and functional properties of the FeB nitrosyl complex was probed. This approach allowed observation of the first S=3/2 nonheme {FeNO}(7) complex in a protein-based model system of NOR. Detailed spectroscopic and computational studies show that the electronic state of the {FeNO}(7) complex is best described as a high spin ferrous iron (S=2) antiferromagnetically coupled to an NO radical (S=1/2) [Fe(2+)-NO(.)]. The radical nature of the FeB -bound NO would facilitate N-N bond formation by radical coupling with the heme-bound NO. This finding, therefore, supports the proposed trans mechanism of NO reduction by NORs. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Methodical Approaches to Teaching of Computer Modeling in Computer Science Course

    Science.gov (United States)

    Rakhimzhanova, B. Lyazzat; Issabayeva, N. Darazha; Khakimova, Tiyshtik; Bolyskhanova, J. Madina

    2015-01-01

    The purpose of this study was to justify of the formation technique of representation of modeling methodology at computer science lessons. The necessity of studying computer modeling is that the current trends of strengthening of general education and worldview functions of computer science define the necessity of additional research of the…

  20. Validation of a phytoremediation computer model

    Energy Technology Data Exchange (ETDEWEB)

    Corapcioglu, M Y; Sung, K; Rhykerd, R L; Munster, C; Drew, M [Texas A and M Univ., College Station, TX (United States)

    1999-01-01

    The use of plants to stimulate remediation of contaminated soil is an effective, low-cost cleanup method which can be applied to many different sites. A phytoremediation computer model has been developed to simulate how recalcitrant hydrocarbons interact with plant roots in unsaturated soil. A study was conducted to provide data to validate and calibrate the model. During the study, lysimeters were constructed and filled with soil contaminated with 10 [mg kg[sub -1

  1. The Effectiveness of Interactive Computer Assisted Modeling in Teaching Study Strategies and Concept Mapping of College Textbook Material.

    Science.gov (United States)

    Mikulecky, Larry

    A study evaluated the effectiveness of a series of print materials and interactive computer-guided study programs designed to lead undergraduate students to apply basic textbook reading and concept mapping strategies to the study of science and social science textbooks. Following field testing with 25 learning skills students, 50 freshman biology…

  2. Designing a Scalable Fault Tolerance Model for High Performance Computational Chemistry: A Case Study with Coupled Cluster Perturbative Triples.

    Science.gov (United States)

    van Dam, Hubertus J J; Vishnu, Abhinav; de Jong, Wibe A

    2011-01-11

    In the past couple of decades, the massive computational power provided by the most modern supercomputers has resulted in simulation of higher-order computational chemistry methods, previously considered intractable. As the system sizes continue to increase, the computational chemistry domain continues to escalate this trend using parallel computing with programming models such as Message Passing Interface (MPI) and Partitioned Global Address Space (PGAS) programming models such as Global Arrays. The ever increasing scale of these supercomputers comes at a cost of reduced Mean Time Between Failures (MTBF), currently on the order of days and projected to be on the order of hours for upcoming extreme scale systems. While traditional disk-based check pointing methods are ubiquitous for storing intermediate solutions, they suffer from high overhead of writing and recovering from checkpoints. In practice, checkpointing itself often brings the system down. Clearly, methods beyond checkpointing are imperative to handling the aggravating issue of reducing MTBF. In this paper, we address this challenge by designing and implementing an efficient fault tolerant version of the Coupled Cluster (CC) method with NWChem, using in-memory data redundancy. We present the challenges associated with our design, including an efficient data storage model, maintenance of at least one consistent data copy, and the recovery process. Our performance evaluation without faults shows that the current design exhibits a small overhead. In the presence of a simulated fault, the proposed design incurs negligible overhead in comparison to the state of the art implementation without faults.

  3. Quantum Vertex Model for Reversible Classical Computing

    Science.gov (United States)

    Chamon, Claudio; Mucciolo, Eduardo; Ruckenstein, Andrei; Yang, Zhicheng

    We present a planar vertex model that encodes the result of a universal reversible classical computation in its ground state. The approach involves Boolean variables (spins) placed on links of a two-dimensional lattice, with vertices representing logic gates. Large short-ranged interactions between at most two spins implement the operation of each gate. The lattice is anisotropic with one direction corresponding to computational time, and with transverse boundaries storing the computation's input and output. The model displays no finite temperature phase transitions, including no glass transitions, independent of circuit. The computational complexity is encoded in the scaling of the relaxation rate into the ground state with the system size. We use thermal annealing and a novel and more efficient heuristic \\x9Dannealing with learning to study various computational problems. To explore faster relaxation routes, we construct an explicit mapping of the vertex model into the Chimera architecture of the D-Wave machine, initiating a novel approach to reversible classical computation based on quantum annealing.

  4. International Conference on Computational Intelligence, Cyber Security, and Computational Models

    CERN Document Server

    Ramasamy, Vijayalakshmi; Sheen, Shina; Veeramani, C; Bonato, Anthony; Batten, Lynn

    2016-01-01

    This book aims at promoting high-quality research by researchers and practitioners from academia and industry at the International Conference on Computational Intelligence, Cyber Security, and Computational Models ICC3 2015 organized by PSG College of Technology, Coimbatore, India during December 17 – 19, 2015. This book enriches with innovations in broad areas of research like computational modeling, computational intelligence and cyber security. These emerging inter disciplinary research areas have helped to solve multifaceted problems and gained lot of attention in recent years. This encompasses theory and applications, to provide design, analysis and modeling of the aforementioned key areas.

  5. ISDD: A computational model of particle sedimentation, diffusion and target cell dosimetry for in vitro toxicity studies

    Science.gov (United States)

    2010-01-01

    Background The difficulty of directly measuring cellular dose is a significant obstacle to application of target tissue dosimetry for nanoparticle and microparticle toxicity assessment, particularly for in vitro systems. As a consequence, the target tissue paradigm for dosimetry and hazard assessment of nanoparticles has largely been ignored in favor of using metrics of exposure (e.g. μg particle/mL culture medium, particle surface area/mL, particle number/mL). We have developed a computational model of solution particokinetics (sedimentation, diffusion) and dosimetry for non-interacting spherical particles and their agglomerates in monolayer cell culture systems. Particle transport to cells is calculated by simultaneous solution of Stokes Law (sedimentation) and the Stokes-Einstein equation (diffusion). Results The In vitro Sedimentation, Diffusion and Dosimetry model (ISDD) was tested against measured transport rates or cellular doses for multiple sizes of polystyrene spheres (20-1100 nm), 35 nm amorphous silica, and large agglomerates of 30 nm iron oxide particles. Overall, without adjusting any parameters, model predicted cellular doses were in close agreement with the experimental data, differing from as little as 5% to as much as three-fold, but in most cases approximately two-fold, within the limits of the accuracy of the measurement systems. Applying the model, we generalize the effects of particle size, particle density, agglomeration state and agglomerate characteristics on target cell dosimetry in vitro. Conclusions Our results confirm our hypothesis that for liquid-based in vitro systems, the dose-rates and target cell doses for all particles are not equal; they can vary significantly, in direct contrast to the assumption of dose-equivalency implicit in the use of mass-based media concentrations as metrics of exposure for dose-response assessment. The difference between equivalent nominal media concentration exposures on a μg/mL basis and target cell

  6. ISDD: A computational model of particle sedimentation, diffusion and target cell dosimetry for in vitro toxicity studies

    Directory of Open Access Journals (Sweden)

    Chrisler William B

    2010-11-01

    Full Text Available Abstract Background The difficulty of directly measuring cellular dose is a significant obstacle to application of target tissue dosimetry for nanoparticle and microparticle toxicity assessment, particularly for in vitro systems. As a consequence, the target tissue paradigm for dosimetry and hazard assessment of nanoparticles has largely been ignored in favor of using metrics of exposure (e.g. μg particle/mL culture medium, particle surface area/mL, particle number/mL. We have developed a computational model of solution particokinetics (sedimentation, diffusion and dosimetry for non-interacting spherical particles and their agglomerates in monolayer cell culture systems. Particle transport to cells is calculated by simultaneous solution of Stokes Law (sedimentation and the Stokes-Einstein equation (diffusion. Results The In vitro Sedimentation, Diffusion and Dosimetry model (ISDD was tested against measured transport rates or cellular doses for multiple sizes of polystyrene spheres (20-1100 nm, 35 nm amorphous silica, and large agglomerates of 30 nm iron oxide particles. Overall, without adjusting any parameters, model predicted cellular doses were in close agreement with the experimental data, differing from as little as 5% to as much as three-fold, but in most cases approximately two-fold, within the limits of the accuracy of the measurement systems. Applying the model, we generalize the effects of particle size, particle density, agglomeration state and agglomerate characteristics on target cell dosimetry in vitro. Conclusions Our results confirm our hypothesis that for liquid-based in vitro systems, the dose-rates and target cell doses for all particles are not equal; they can vary significantly, in direct contrast to the assumption of dose-equivalency implicit in the use of mass-based media concentrations as metrics of exposure for dose-response assessment. The difference between equivalent nominal media concentration exposures on a

  7. Computer models for economic and silvicultural decisions

    Science.gov (United States)

    Rosalie J. Ingram

    1989-01-01

    Computer systems can help simplify decisionmaking to manage forest ecosystems. We now have computer models to help make forest management decisions by predicting changes associated with a particular management action. Models also help you evaluate alternatives. To be effective, the computer models must be reliable and appropriate for your situation.

  8. Evaluation of computer-based computer tomography stratification against outcome models in connective tissue disease-related interstitial lung disease: a patient outcome study.

    Science.gov (United States)

    Jacob, Joseph; Bartholmai, Brian J; Rajagopalan, Srinivasan; Brun, Anne Laure; Egashira, Ryoko; Karwoski, Ronald; Kokosi, Maria; Wells, Athol U; Hansell, David M

    2016-11-23

    To evaluate computer-based computer tomography (CT) analysis (CALIPER) against visual CT scoring and pulmonary function tests (PFTs) when predicting mortality in patients with connective tissue disease-related interstitial lung disease (CTD-ILD). To identify outcome differences between distinct CTD-ILD groups derived following automated stratification of CALIPER variables. A total of 203 consecutive patients with assorted CTD-ILDs had CT parenchymal patterns evaluated by CALIPER and visual CT scoring: honeycombing, reticular pattern, ground glass opacities, pulmonary vessel volume, emphysema, and traction bronchiectasis. CT scores were evaluated against pulmonary function tests: forced vital capacity, diffusing capacity for carbon monoxide, carbon monoxide transfer coefficient, and composite physiologic index for mortality analysis. Automated stratification of CALIPER-CT variables was evaluated in place of and alongside forced vital capacity and diffusing capacity for carbon monoxide in the ILD gender, age physiology (ILD-GAP) model using receiver operating characteristic curve analysis. Cox regression analyses identified four independent predictors of mortality: patient age (P < 0.0001), smoking history (P = 0.0003), carbon monoxide transfer coefficient (P = 0.003), and pulmonary vessel volume (P < 0.0001). Automated stratification of CALIPER variables identified three morphologically distinct groups which were stronger predictors of mortality than all CT and functional indices. The Stratified-CT model substituted automated stratified groups for functional indices in the ILD-GAP model and maintained model strength (area under curve (AUC) = 0.74, P < 0.0001), ILD-GAP (AUC = 0.72, P < 0.0001). Combining automated stratified groups with the ILD-GAP model (stratified CT-GAP model) strengthened predictions of 1- and 2-year mortality: ILD-GAP (AUC = 0.87 and 0.86, respectively); stratified CT-GAP (AUC = 0.89 and 0.88, respectively

  9. Geoid-to-Quasigeoid Separation Computed Using the GRACE/GOCE Global Geopotential Model GOCO02S - A Case Study of Himalayas and Tibet

    Directory of Open Access Journals (Sweden)

    Mohammad Bagherbandi Robert Tenzer

    2013-01-01

    Full Text Available The geoid-to-quasigeoid correction has been traditionally computed approximately as a function of the planar Bouguer gravity anomaly and the topographic height. Recent numerical studies based on newly developed theoretical models, however, indicate that the computation of this correction using the approximate formula yields large errors especially in mountainous regions with computation points at high elevations. In this study we investigate these approximation errors at the study area which comprises Himalayas and Tibet where this correction reaches global maxima. Since the GPS-leveling and terrestrial gravity datasets in this part of the world are not (freely available, global gravitational models (GGMs are used to compute this correction utilizing the expressions for a spherical harmonic analysis of the gravity field. The computation of this correction can be done using the GGM coefficients taken from the Earth Gravitational Model 2008 (EGM08 complete to degree 2160 of spherical harmonics. The recent studies based on a regional accuracy assessment of GGMs have shown that the combined GRACE/GOCE solutions provide a substantial improvement of the Earth¡¦s gravity field at medium wavelengths of spherical harmonics compared to EGM08. We address this aspect in numerical analysis by comparing the gravity field quantities computed using the satellite-only combined GRACE/GOCE model GOCO02S against the EGM08 results. The numerical results reveal that errors in the geoid-to-quasigeoid correction computed using the approximate formula can reach as much as ~1.5 m. We also demonstrate that the expected improvement of the GOCO02S gravity field quantities at medium wavelengths (within the frequency band approximately between 100 and 250 compared to EGM08 is as much as ±60 mGal and ±0.2 m in terms of gravity anomalies and geoid/quasigeoid heights respectively.

  10. Integrating interactive computational modeling in biology curricula.

    Directory of Open Access Journals (Sweden)

    Tomáš Helikar

    2015-03-01

    Full Text Available While the use of computer tools to simulate complex processes such as computer circuits is normal practice in fields like engineering, the majority of life sciences/biological sciences courses continue to rely on the traditional textbook and memorization approach. To address this issue, we explored the use of the Cell Collective platform as a novel, interactive, and evolving pedagogical tool to foster student engagement, creativity, and higher-level thinking. Cell Collective is a Web-based platform used to create and simulate dynamical models of various biological processes. Students can create models of cells, diseases, or pathways themselves or explore existing models. This technology was implemented in both undergraduate and graduate courses as a pilot study to determine the feasibility of such software at the university level. First, a new (In Silico Biology class was developed to enable students to learn biology by "building and breaking it" via computer models and their simulations. This class and technology also provide a non-intimidating way to incorporate mathematical and computational concepts into a class with students who have a limited mathematical background. Second, we used the technology to mediate the use of simulations and modeling modules as a learning tool for traditional biological concepts, such as T cell differentiation or cell cycle regulation, in existing biology courses. Results of this pilot application suggest that there is promise in the use of computational modeling and software tools such as Cell Collective to provide new teaching methods in biology and contribute to the implementation of the "Vision and Change" call to action in undergraduate biology education by providing a hands-on approach to biology.

  11. Integrating interactive computational modeling in biology curricula.

    Science.gov (United States)

    Helikar, Tomáš; Cutucache, Christine E; Dahlquist, Lauren M; Herek, Tyler A; Larson, Joshua J; Rogers, Jim A

    2015-03-01

    While the use of computer tools to simulate complex processes such as computer circuits is normal practice in fields like engineering, the majority of life sciences/biological sciences courses continue to rely on the traditional textbook and memorization approach. To address this issue, we explored the use of the Cell Collective platform as a novel, interactive, and evolving pedagogical tool to foster student engagement, creativity, and higher-level thinking. Cell Collective is a Web-based platform used to create and simulate dynamical models of various biological processes. Students can create models of cells, diseases, or pathways themselves or explore existing models. This technology was implemented in both undergraduate and graduate courses as a pilot study to determine the feasibility of such software at the university level. First, a new (In Silico Biology) class was developed to enable students to learn biology by "building and breaking it" via computer models and their simulations. This class and technology also provide a non-intimidating way to incorporate mathematical and computational concepts into a class with students who have a limited mathematical background. Second, we used the technology to mediate the use of simulations and modeling modules as a learning tool for traditional biological concepts, such as T cell differentiation or cell cycle regulation, in existing biology courses. Results of this pilot application suggest that there is promise in the use of computational modeling and software tools such as Cell Collective to provide new teaching methods in biology and contribute to the implementation of the "Vision and Change" call to action in undergraduate biology education by providing a hands-on approach to biology.

  12. Computational Design Modelling : Proceedings of the Design Modelling Symposium

    CERN Document Server

    Kilian, Axel; Palz, Norbert; Scheurer, Fabian

    2012-01-01

    This book publishes the peer-reviewed proceeding of the third Design Modeling Symposium Berlin . The conference constitutes a platform for dialogue on experimental practice and research within the field of computationally informed architectural design. More than 60 leading experts the computational processes within the field of computationally informed architectural design to develop a broader and less exotic building practice that bears more subtle but powerful traces of the complex tool set and approaches we have developed and studied over recent years. The outcome are new strategies for a reasonable and innovative implementation of digital potential in truly innovative and radical design guided by both responsibility towards processes and the consequences they initiate.

  13. The Use of Model Matching Video Analysis and Computational Simulation to Study the Ankle Sprain Injury Mechanism

    Directory of Open Access Journals (Sweden)

    Daniel Tik-Pui Fong

    2012-10-01

    Full Text Available Lateral ankle sprains continue to be the most common injury sustained by athletes and create an annual healthcare burden of over $4 billion in the U.S. alone. Foot inversion is suspected in these cases, but the mechanism of injury remains unclear. While kinematics and kinetics data are crucial in understanding the injury mechanisms, ligament behaviour measures – such as ligament strains – are viewed as the potential causal factors of ankle sprains. This review article demonstrates a novel methodology that integrates model matching video analyses with computational simulations in order to investigate injury-producing events for a better understanding of such injury mechanisms. In particular, ankle joint kinematics from actual injury incidents were deduced by model matching video analyses and then input into a generic computational model based on rigid bone surfaces and deformable ligaments of the ankle so as to investigate the ligament strains that accompany these sprain injuries. These techniques may have the potential for guiding ankle sprain prevention strategies and targeted rehabilitation therapies.

  14. A computation ANN model for quantifying the global solar radiation: A case study of Al-Aqabah-Jordan

    International Nuclear Information System (INIS)

    Abolgasem, I M; Alghoul, M A; Ruslan, M H; Chan, H Y; Khrit, N G; Sopian, K

    2015-01-01

    In this paper, a computation model is developed to predict the global solar radiation (GSR) in Aqaba city based on the data recorded with association of Artificial Neural Networks (ANN). The data used in this work are global solar radiation (GSR), sunshine duration, maximum and minimum air temperature and relative humidity. These data are available from Jordanian meteorological station over a period of two years. The quality of GSR forecasting is compared by using different Learning Algorithms. The decision of changing the ANN architecture is essentially based on the predicted results to obtain the best ANN model for monthly and seasonal GSR. Different configurations patterns were tested using available observed data. It was found that the model using mainly sunshine duration and air temperature as inputs gives accurate results. The ANN model efficiency and the mean square error values show that the prediction model is accurate. It is found that the effect of the three learning algorithms on the accuracy of the prediction model at the training and testing stages for each time scale is mostly within the same accuracy range. (paper)

  15. Disciplines, models, and computers: the path to computational quantum chemistry.

    Science.gov (United States)

    Lenhard, Johannes

    2014-12-01

    Many disciplines and scientific fields have undergone a computational turn in the past several decades. This paper analyzes this sort of turn by investigating the case of computational quantum chemistry. The main claim is that the transformation from quantum to computational quantum chemistry involved changes in three dimensions. First, on the side of instrumentation, small computers and a networked infrastructure took over the lead from centralized mainframe architecture. Second, a new conception of computational modeling became feasible and assumed a crucial role. And third, the field of computa- tional quantum chemistry became organized in a market-like fashion and this market is much bigger than the number of quantum theory experts. These claims will be substantiated by an investigation of the so-called density functional theory (DFT), the arguably pivotal theory in the turn to computational quantum chemistry around 1990.

  16. Computational biomechanics for medicine imaging, modeling and computing

    CERN Document Server

    Doyle, Barry; Wittek, Adam; Nielsen, Poul; Miller, Karol

    2016-01-01

    The Computational Biomechanics for Medicine titles provide an opportunity for specialists in computational biomechanics to present their latest methodologies and advancements. This volume comprises eighteen of the newest approaches and applications of computational biomechanics, from researchers in Australia, New Zealand, USA, UK, Switzerland, Scotland, France and Russia. Some of the interesting topics discussed are: tailored computational models; traumatic brain injury; soft-tissue mechanics; medical image analysis; and clinically-relevant simulations. One of the greatest challenges facing the computational engineering community is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. We hope the research presented within this book series will contribute to overcoming this grand challenge.

  17. Computational Modeling of Biological Systems From Molecules to Pathways

    CERN Document Server

    2012-01-01

    Computational modeling is emerging as a powerful new approach for studying and manipulating biological systems. Many diverse methods have been developed to model, visualize, and rationally alter these systems at various length scales, from atomic resolution to the level of cellular pathways. Processes taking place at larger time and length scales, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. Computational Modeling of Biological Systems: From Molecules to Pathways provides an overview of established computational methods for the modeling of biologically and medically relevant systems. It is suitable for researchers and professionals working in the fields of biophysics, computational biology, systems biology, and molecular medicine.

  18. Is computer aided detection (CAD) cost effective in screening mammography? A model based on the CADET II study

    Science.gov (United States)

    2011-01-01

    Background Single reading with computer aided detection (CAD) is an alternative to double reading for detecting cancer in screening mammograms. The aim of this study is to investigate whether the use of a single reader with CAD is more cost-effective than double reading. Methods Based on data from the CADET II study, the cost-effectiveness of single reading with CAD versus double reading was measured in terms of cost per cancer detected. Cost (Pound (£), year 2007/08) of single reading with CAD versus double reading was estimated assuming a health and social service perspective and a 7 year time horizon. As the equipment cost varies according to the unit size a separate analysis was conducted for high, average and low volume screening units. One-way sensitivity analyses were performed by varying the reading time, equipment and assessment cost, recall rate and reader qualification. Results CAD is cost increasing for all sizes of screening unit. The introduction of CAD is cost-increasing compared to double reading because the cost of CAD equipment, staff training and the higher assessment cost associated with CAD are greater than the saving in reading costs. The introduction of single reading with CAD, in place of double reading, would produce an additional cost of £227 and £253 per 1,000 women screened in high and average volume units respectively. In low volume screening units, the high cost of purchasing the equipment will results in an additional cost of £590 per 1,000 women screened. One-way sensitivity analysis showed that the factors having the greatest effect on the cost-effectiveness of CAD with single reading compared with double reading were the reading time and the reader's professional qualification (radiologist versus advanced practitioner). Conclusions Without improvements in CAD effectiveness (e.g. a decrease in the recall rate) CAD is unlikely to be a cost effective alternative to double reading for mammography screening in UK. This study

  19. Development of a external exposure computational model for studying of input dose in skin for radiographs of thorax and vertebral column

    International Nuclear Information System (INIS)

    Muniz, Bianca C.; Menezes, Claudio J.M.; Vieira, Jose W.

    2014-01-01

    The dosimetric measurements do not always happen directly in the human body. Therefore, these assessments can be performed using anthropomorphic models (phantoms) evidencing models computational exposure (MCE) using techniques of Monte Carlo Method for virtual simulations. These processing techniques coupled with more powerful and affordable computers make the Monte Carlo method one of the tools most used worldwide in radiation transport area. In this work, the Monte Carlo EGS4 program was used to develop a computer model of external exposure to study the entrance skin dose for chest and column X-radiography and, aiming to optimize these practices by reducing doses to patients, professionals involved and the general public. The results obtained experimentally with the electrometer Radcal, model 9015, associated with the ionization chamber for radiology model 10X5-6, showed that the proposed computational model can be used in quality assurance programs in radiodiagnostic, evaluating the entrance skin dose when varying parameters of the radiation beam such as kilo voltage peak (kVp), current-time product (mAs), total filtration and distance surface source (DFS), optimizing the practices in radiodiagnostic and meeting the current regulation

  20. Computational Modeling of Culture's Consequences

    NARCIS (Netherlands)

    Hofstede, G.J.; Jonker, C.M.; Verwaart, T.

    2010-01-01

    This paper presents an approach to formalize the influence of culture on the decision functions of agents in social simulations. The key components are (a) a definition of the domain of study in the form of a decision model, (b) knowledge acquisition based on a dimensional theory of culture,

  1. Computational hemodynamics theory, modelling and applications

    CERN Document Server

    Tu, Jiyuan; Wong, Kelvin Kian Loong

    2015-01-01

    This book discusses geometric and mathematical models that can be used to study fluid and structural mechanics in the cardiovascular system.  Where traditional research methodologies in the human cardiovascular system are challenging due to its invasive nature, several recent advances in medical imaging and computational fluid and solid mechanics modelling now provide new and exciting research opportunities. This emerging field of study is multi-disciplinary, involving numerical methods, computational science, fluid and structural mechanics, and biomedical engineering. Certainly any new student or researcher in this field may feel overwhelmed by the wide range of disciplines that need to be understood. This unique book is one of the first to bring together knowledge from multiple disciplines, providing a starting point to each of the individual disciplines involved, attempting to ease the steep learning curve. This book presents elementary knowledge on the physiology of the cardiovascular system; basic knowl...

  2. Computer modeling of the gyrocon

    International Nuclear Information System (INIS)

    Tallerico, P.J.; Rankin, J.E.

    1979-01-01

    A gyrocon computer model is discussed in which the electron beam is followed from the gun output to the collector region. The initial beam may be selected either as a uniform circular beam or may be taken from the output of an electron gun simulated by the program of William Herrmannsfeldt. The fully relativistic equations of motion are then integrated numerically to follow the beam successively through a drift tunnel, a cylindrical rf beam deflection cavity, a combination drift space and magnetic bender region, and an output rf cavity. The parameters for each region are variable input data from a control file. The program calculates power losses in the cavity wall, power required by beam loading, power transferred from the beam to the output cavity fields, and electronic and overall efficiency. Space-charge effects are approximated if selected. Graphical displays of beam motions are produced. We discuss the Los Alamos Scientific Laboratory (LASL) prototype design as an example of code usage. The design shows a gyrocon of about two-thirds megawatt output at 450 MHz with up to 86% overall efficiency

  3. Computer model for harmonic ultrasound imaging.

    Science.gov (United States)

    Li, Y; Zagzebski, J A

    2000-01-01

    Harmonic ultrasound imaging has received great attention from ultrasound scanner manufacturers and researchers. In this paper, we present a computer model that can generate realistic harmonic images. In this model, the incident ultrasound is modeled after the "KZK" equation, and the echo signal is modeled using linear propagation theory because the echo signal is much weaker than the incident pulse. Both time domain and frequency domain numerical solutions to the "KZK" equation were studied. Realistic harmonic images of spherical lesion phantoms were generated for scans by a circular transducer. This model can be a very useful tool for studying the harmonic buildup and dissipation processes in a nonlinear medium, and it can be used to investigate a wide variety of topics related to B-mode harmonic imaging.

  4. The Fermilab central computing facility architectural model

    International Nuclear Information System (INIS)

    Nicholls, J.

    1989-01-01

    The goal of the current Central Computing Upgrade at Fermilab is to create a computing environment that maximizes total productivity, particularly for high energy physics analysis. The Computing Department and the Next Computer Acquisition Committee decided upon a model which includes five components: an interactive front-end, a Large-Scale Scientific Computer (LSSC, a mainframe computing engine), a microprocessor farm system, a file server, and workstations. With the exception of the file server, all segments of this model are currently in production: a VAX/VMS cluster interactive front-end, an Amdahl VM Computing engine, ACP farms, and (primarily) VMS workstations. This paper will discuss the implementation of the Fermilab Central Computing Facility Architectural Model. Implications for Code Management in such a heterogeneous environment, including issues such as modularity and centrality, will be considered. Special emphasis will be placed on connectivity and communications between the front-end, LSSC, and workstations, as practiced at Fermilab. (orig.)

  5. The Fermilab Central Computing Facility architectural model

    International Nuclear Information System (INIS)

    Nicholls, J.

    1989-05-01

    The goal of the current Central Computing Upgrade at Fermilab is to create a computing environment that maximizes total productivity, particularly for high energy physics analysis. The Computing Department and the Next Computer Acquisition Committee decided upon a model which includes five components: an interactive front end, a Large-Scale Scientific Computer (LSSC, a mainframe computing engine), a microprocessor farm system, a file server, and workstations. With the exception of the file server, all segments of this model are currently in production: a VAX/VMS Cluster interactive front end, an Amdahl VM computing engine, ACP farms, and (primarily) VMS workstations. This presentation will discuss the implementation of the Fermilab Central Computing Facility Architectural Model. Implications for Code Management in such a heterogeneous environment, including issues such as modularity and centrality, will be considered. Special emphasis will be placed on connectivity and communications between the front-end, LSSC, and workstations, as practiced at Fermilab. 2 figs

  6. Quantum vertex model for reversible classical computing.

    Science.gov (United States)

    Chamon, C; Mucciolo, E R; Ruckenstein, A E; Yang, Z-C

    2017-05-12

    Mappings of classical computation onto statistical mechanics models have led to remarkable successes in addressing some complex computational problems. However, such mappings display thermodynamic phase transitions that may prevent reaching solution even for easy problems known to be solvable in polynomial time. Here we map universal reversible classical computations onto a planar vertex model that exhibits no bulk classical thermodynamic phase transition, independent of the computational circuit. Within our approach the solution of the computation is encoded in the ground state of the vertex model and its complexity is reflected in the dynamics of the relaxation of the system to its ground state. We use thermal annealing with and without 'learning' to explore typical computational problems. We also construct a mapping of the vertex model into the Chimera architecture of the D-Wave machine, initiating an approach to reversible classical computation based on state-of-the-art implementations of quantum annealing.

  7. Modeling Computer Virus and Its Dynamics

    Directory of Open Access Journals (Sweden)

    Mei Peng

    2013-01-01

    Full Text Available Based on that the computer will be infected by infected computer and exposed computer, and some of the computers which are in suscepitible status and exposed status can get immunity by antivirus ability, a novel coumputer virus model is established. The dynamic behaviors of this model are investigated. First, the basic reproduction number R0, which is a threshold of the computer virus spreading in internet, is determined. Second, this model has a virus-free equilibrium P0, which means that the infected part of the computer disappears, and the virus dies out, and P0 is a globally asymptotically stable equilibrium if R01 then this model has only one viral equilibrium P*, which means that the computer persists at a constant endemic level, and P* is also globally asymptotically stable. Finally, some numerical examples are given to demonstrate the analytical results.

  8. Accuracy of three-dimensional cone beam computed tomography digital model measurements compared with plaster study casts

    Directory of Open Access Journals (Sweden)

    Shuaib Al Ali

    2017-01-01

    Full Text Available Purpose: The purpose of this study was to assess the accuracy of three-dimensional (3D cone beam computed tomography (CBCT study casts by comparing with direct measurements taken from plaster study casts. Materials and Methods: The dental arches of 30 patient subjects were imaged with a Kodak 9300 3D CBCT devise; Anatomodels were created and in vivo 5 imaging software was used to measure 10 dental arch variables which were compared to measurements of plaster study casts. Results: Three of the 10 variables, i.e., overbite, maxillary intermolar width, and arch length, were found significantly smaller (P < 0.05 using the Anatomodels following nonparametric Wilcoxon signed-rank testing. None of the differences found in the study averaged <0.5 mm. Conclusions: 3D CBCT imaging provided clinically acceptable accuracy for dental arch analysis. 3D CBCT imaging tended to underestimate the actual measurement compared to plaster study casts.

  9. The IceCube Computing Infrastructure Model

    CERN Multimedia

    CERN. Geneva

    2012-01-01

    Besides the big LHC experiments a number of mid-size experiments is coming online which need to define new computing models to meet the demands on processing and storage requirements of those experiments. We present the hybrid computing model of IceCube which leverages GRID models with a more flexible direct user model as an example of a possible solution. In IceCube a central datacenter at UW-Madison servers as Tier-0 with a single Tier-1 datacenter at DESY Zeuthen. We describe the setup of the IceCube computing infrastructure and report on our experience in successfully provisioning the IceCube computing needs.

  10. Assessing the relationship between computational speed and precision: a case study comparing an interpreted versus compiled programming language using a stochastic simulation model in diabetes care.

    Science.gov (United States)

    McEwan, Phil; Bergenheim, Klas; Yuan, Yong; Tetlow, Anthony P; Gordon, Jason P

    2010-01-01

    Simulation techniques are well suited to modelling diseases yet can be computationally intensive. This study explores the relationship between modelled effect size, statistical precision, and efficiency gains achieved using variance reduction and an executable programming language. A published simulation model designed to model a population with type 2 diabetes mellitus based on the UKPDS 68 outcomes equations was coded in both Visual Basic for Applications (VBA) and C++. Efficiency gains due to the programming language were evaluated, as was the impact of antithetic variates to reduce variance, using predicted QALYs over a 40-year time horizon. The use of C++ provided a 75- and 90-fold reduction in simulation run time when using mean and sampled input values, respectively. For a series of 50 one-way sensitivity analyses, this would yield a total run time of 2 minutes when using C++, compared with 155 minutes for VBA when using mean input values. The use of antithetic variates typically resulted in a 53% reduction in the number of simulation replications and run time required. When drawing all input values to the model from distributions, the use of C++ and variance reduction resulted in a 246-fold improvement in computation time compared with VBA - for which the evaluation of 50 scenarios would correspondingly require 3.8 hours (C++) and approximately 14.5 days (VBA). The choice of programming language used in an economic model, as well as the methods for improving precision of model output can have profound effects on computation time. When constructing complex models, more computationally efficient approaches such as C++ and variance reduction should be considered; concerns regarding model transparency using compiled languages are best addressed via thorough documentation and model validation.

  11. Computational nanophotonics modeling and applications

    CERN Document Server

    Musa, Sarhan M

    2013-01-01

    This reference offers tools for engineers, scientists, biologists, and others working with the computational techniques of nanophotonics. It introduces the key concepts of computational methods in a manner that is easily digestible for newcomers to the field. The book also examines future applications of nanophotonics in the technical industry and covers new developments and interdisciplinary research in engineering, science, and medicine. It provides an overview of the key computational nanophotonics and describes the technologies with an emphasis on how they work and their key benefits.

  12. Elements of matrix modeling and computing with Matlab

    CERN Document Server

    White, Robert E

    2006-01-01

    As discrete models and computing have become more common, there is a need to study matrix computation and numerical linear algebra. Encompassing a diverse mathematical core, Elements of Matrix Modeling and Computing with MATLAB examines a variety of applications and their modeling processes, showing you how to develop matrix models and solve algebraic systems. Emphasizing practical skills, it creates a bridge from problems with two and three variables to more realistic problems that have additional variables. Elements of Matrix Modeling and Computing with MATLAB focuses on seven basic applicat

  13. Validation of a phytoremediation computer model

    International Nuclear Information System (INIS)

    Corapcioglu, M.Y.; Sung, K.; Rhykerd, R.L.; Munster, C.; Drew, M.

    1999-01-01

    The use of plants to stimulate remediation of contaminated soil is an effective, low-cost cleanup method which can be applied to many different sites. A phytoremediation computer model has been developed to simulate how recalcitrant hydrocarbons interact with plant roots in unsaturated soil. A study was conducted to provide data to validate and calibrate the model. During the study, lysimeters were constructed and filled with soil contaminated with 10 [mg kg -1 ] TNT, PBB and chrysene. Vegetated and unvegetated treatments were conducted in triplicate to obtain data regarding contaminant concentrations in the soil, plant roots, root distribution, microbial activity, plant water use and soil moisture. When given the parameters of time and depth, the model successfully predicted contaminant concentrations under actual field conditions. Other model parameters are currently being evaluated. 15 refs., 2 figs

  14. Cloud Computing, Tieto Cloud Server Model

    OpenAIRE

    Suikkanen, Saara

    2013-01-01

    The purpose of this study is to find out what is cloud computing. To be able to make wise decisions when moving to cloud or considering it, companies need to understand what cloud is consists of. Which model suits best to they company, what should be taken into account before moving to cloud, what is the cloud broker role and also SWOT analysis of cloud? To be able to answer customer requirements and business demands, IT companies should develop and produce new service models. IT house T...

  15. Pervasive Computing and Prosopopoietic Modelling

    DEFF Research Database (Denmark)

    Michelsen, Anders Ib

    2011-01-01

    the mid-20th century of a paradoxical distinction/complicity between the technical organisation of computed function and the human Being, in the sense of creative action upon such function. This paradoxical distinction/complicity promotes a chiastic (Merleau-Ponty) relationship of extension of one......This article treats the philosophical underpinnings of the notions of ubiquity and pervasive computing from a historical perspective. The current focus on these notions reflects the ever increasing impact of new media and the underlying complexity of computed function in the broad sense of ICT...... that have spread vertiginiously since Mark Weiser coined the term ‘pervasive’, e.g., digitalised sensoring, monitoring, effectuation, intelligence, and display. Whereas Weiser’s original perspective may seem fulfilled since computing is everywhere, in his and Seely Brown’s (1997) terms, ‘invisible...

  16. Enhancing predicted efficacy of tumor treating fields therapy of glioblastoma using targeted surgical craniectomy: A computer modeling study

    DEFF Research Database (Denmark)

    Korshoej, Anders Rosendal; Saturnino, Guilherme Bicalho; Rasmussen, Line Kirkegaard

    2016-01-01

    the potential of the intervention to improve the clinical efficacy of TTFields therapy of brain cancer. Methods: We used finite element analysis to calculate the electrical field distribution in realistic head models based on MRI data from two patients: One with left cortical/subcortical glioblastoma and one......Objective: The present work proposes a new clinical approach to TTFields therapy of glioblastoma. The approach combines targeted surgical skull removal (craniectomy) with TTFields therapy to enhance the induced electrical field in the underlying tumor tissue. Using computer simulations, we explore...... with deeply seated right thalamic anaplastic astrocytoma. Field strength was assessed in the tumor regions before and after virtual removal of bone areas of varying shape and size (10 to 100 mm) immediately above the tumor. Field strength was evaluated before and after tumor resection to assess realistic...

  17. Using affinity capillary electrophoresis and computational models for binding studies of heparinoids with p-selectin and other proteins.

    Science.gov (United States)

    Mozafari, Mona; Balasupramaniam, Shantheya; Preu, Lutz; El Deeb, Sami; Reiter, Christian G; Wätzig, Hermann

    2017-06-01

    A fast and precise affinity capillary electrophoresis (ACE) method has been developed and applied for the investigation of the binding interactions between P-selectin and heparinoids as potential P-selectin inhibitors in the presence and absence of calcium ions. Furthermore, model proteins and vitronectin were used to appraise the binding behavior of P-selectin. The normalized mobility ratios (∆R/R f ), which provided information about the binding strength and the overall charge of the protein-ligand complex, were used to evaluate the binding affinities. It was found that P-selectin interacts more strongly with heparinoids in the presence of calcium ions. P-selectin was affected by heparinoids at the concentration of 3 mg/L. In addition, the results of the ACE experiments showed that among other investigated proteins, albumins and vitronectin exhibited strong interactions with heparinoids. Especially with P-selectin and vitronectin, the interaction may additionally induce conformational changes. Subsequently, computational models were applied to interpret the ACE experiments. Docking experiments explained that the binding of heparinoids on P-selectin is promoted by calcium ions. These docking models proved to be particularly well suited to investigate the interaction of charged compounds, and are therefore complementary to ACE experiments. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Computer Modeling of Human Delta Opioid Receptor

    Directory of Open Access Journals (Sweden)

    Tatyana Dzimbova

    2013-04-01

    Full Text Available The development of selective agonists of δ-opioid receptor as well as the model of interaction of ligands with this receptor is the subjects of increased interest. In the absence of crystal structures of opioid receptors, 3D homology models with different templates have been reported in the literature. The problem is that these models are not available for widespread use. The aims of our study are: (1 to choose within recently published crystallographic structures templates for homology modeling of the human δ-opioid receptor (DOR; (2 to evaluate the models with different computational tools; and (3 to precise the most reliable model basing on correlation between docking data and in vitro bioassay results. The enkephalin analogues, as ligands used in this study, were previously synthesized by our group and their biological activity was evaluated. Several models of DOR were generated using different templates. All these models were evaluated by PROCHECK and MolProbity and relationship between docking data and in vitro results was determined. The best correlations received for the tested models of DOR were found between efficacy (erel of the compounds, calculated from in vitro experiments and Fitness scoring function from docking studies. New model of DOR was generated and evaluated by different approaches. This model has good GA341 value (0.99 from MODELLER, good values from PROCHECK (92.6% of most favored regions and MolProbity (99.5% of favored regions. Scoring function correlates (Pearson r = -0.7368, p-value = 0.0097 with erel of a series of enkephalin analogues, calculated from in vitro experiments. So, this investigation allows suggesting a reliable model of DOR. Newly generated model of DOR receptor could be used further for in silico experiments and it will give possibility for faster and more correct design of selective and effective ligands for δ-opioid receptor.

  19. Computational Fluid Dynamics Modeling of Bacillus anthracis ...

    Science.gov (United States)

    Journal Article Three-dimensional computational fluid dynamics and Lagrangian particle deposition models were developed to compare the deposition of aerosolized Bacillus anthracis spores in the respiratory airways of a human with that of the rabbit, a species commonly used in the study of anthrax disease. The respiratory airway geometries for each species were derived from computed tomography (CT) or µCT images. Both models encompassed airways that extended from the external nose to the lung with a total of 272 outlets in the human model and 2878 outlets in the rabbit model. All simulations of spore deposition were conducted under transient, inhalation-exhalation breathing conditions using average species-specific minute volumes. Four different exposure scenarios were modeled in the rabbit based upon experimental inhalation studies. For comparison, human simulations were conducted at the highest exposure concentration used during the rabbit experimental exposures. Results demonstrated that regional spore deposition patterns were sensitive to airway geometry and ventilation profiles. Despite the complex airway geometries in the rabbit nose, higher spore deposition efficiency was predicted in the upper conducting airways of the human at the same air concentration of anthrax spores. This greater deposition of spores in the upper airways in the human resulted in lower penetration and deposition in the tracheobronchial airways and the deep lung than that predict

  20. Biocellion: accelerating computer simulation of multicellular biological system models.

    Science.gov (United States)

    Kang, Seunghwa; Kahan, Simon; McDermott, Jason; Flann, Nicholas; Shmulevich, Ilya

    2014-11-01

    Biological system behaviors are often the outcome of complex interactions among a large number of cells and their biotic and abiotic environment. Computational biologists attempt to understand, predict and manipulate biological system behavior through mathematical modeling and computer simulation. Discrete agent-based modeling (in combination with high-resolution grids to model the extracellular environment) is a popular approach for building biological system models. However, the computational complexity of this approach forces computational biologists to resort to coarser resolution approaches to simulate large biological systems. High-performance parallel computers have the potential to address the computing challenge, but writing efficient software for parallel computers is difficult and time-consuming. We have developed Biocellion, a high-performance software framework, to solve this computing challenge using parallel computers. To support a wide range of multicellular biological system models, Biocellion asks users to provide their model specifics by filling the function body of pre-defined model routines. Using Biocellion, modelers without parallel computing expertise can efficiently exploit parallel computers with less effort than writing sequential programs from scratch. We simulate cell sorting, microbial patterning and a bacterial system in soil aggregate as case studies. Biocellion runs on x86 compatible systems with the 64 bit Linux operating system and is freely available for academic use. Visit http://biocellion.com for additional information. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  1. Automating sensitivity analysis of computer models using computer calculus

    International Nuclear Information System (INIS)

    Oblow, E.M.; Pin, F.G.

    1986-01-01

    An automated procedure for performing sensitivity analysis has been developed. The procedure uses a new FORTRAN compiler with computer calculus capabilities to generate the derivatives needed to set up sensitivity equations. The new compiler is called GRESS - Gradient Enhanced Software System. Application of the automated procedure with direct and adjoint sensitivity theory for the analysis of non-linear, iterative systems of equations is discussed. Calculational efficiency consideration and techniques for adjoint sensitivity analysis are emphasized. The new approach is found to preserve the traditional advantages of adjoint theory while removing the tedious human effort previously needed to apply this theoretical methodology. Conclusions are drawn about the applicability of the automated procedure in numerical analysis and large-scale modelling sensitivity studies

  2. Automating sensitivity analysis of computer models using computer calculus

    International Nuclear Information System (INIS)

    Oblow, E.M.; Pin, F.G.

    1985-01-01

    An automated procedure for performing sensitivity analyses has been developed. The procedure uses a new FORTRAN compiler with computer calculus capabilities to generate the derivatives needed to set up sensitivity equations. The new compiler is called GRESS - Gradient Enhanced Software System. Application of the automated procedure with ''direct'' and ''adjoint'' sensitivity theory for the analysis of non-linear, iterative systems of equations is discussed. Calculational efficiency consideration and techniques for adjoint sensitivity analysis are emphasized. The new approach is found to preserve the traditional advantages of adjoint theory while removing the tedious human effort previously needed to apply this theoretical methodology. Conclusions are drawn about the applicability of the automated procedure in numerical analysis and large-scale modelling sensitivity studies. 24 refs., 2 figs

  3. Climate Ocean Modeling on Parallel Computers

    Science.gov (United States)

    Wang, P.; Cheng, B. N.; Chao, Y.

    1998-01-01

    Ocean modeling plays an important role in both understanding the current climatic conditions and predicting future climate change. However, modeling the ocean circulation at various spatial and temporal scales is a very challenging computational task.

  4. Computational Intelligence. Mortality Models for the Actuary

    NARCIS (Netherlands)

    Willemse, W.J.

    2001-01-01

    This thesis applies computational intelligence to the field of actuarial (insurance) science. In particular, this thesis deals with life insurance where mortality modelling is important. Actuaries use ancient models (mortality laws) from the nineteenth century, for example Gompertz' and Makeham's

  5. Towards the Selection of an Optimal Global Geopotential Model for the Computation of the Long-Wavelength Contribution: A Case Study of Ghana

    Directory of Open Access Journals (Sweden)

    Caleb Iddissah Yakubu

    2017-11-01

    Full Text Available The selection of a global geopotential model (GGM for modeling the long-wavelength for geoid computation is imperative not only because of the plethora of GGMs available but more importantly because it influences the accuracy of a geoid model. In this study, we propose using the Gaussian averaging function for selecting an optimal GGM and degree and order (d/o for the remove-compute-restore technique as a replacement for the direct comparison of terrestrial gravity anomalies and GGM anomalies, because ground data and GGM have different frequencies. Overall, EGM2008 performed better than all the tested GGMs and at an optimal d/o of 222. We verified the results by computing geoid models using Heck and Grüninger’s modification and validated them against GPS/trigonometric data. The results of the validation were consistent with those of the averaging process with EGM2008 giving the smallest standard deviation of 0.457 m at d/o 222, resulting in an 8% improvement over the previous geoid model. In addition, this geoid model, the Ghanaian Gravimetric Geoid 2017 (GGG 2017 may be used to replace second-order class II leveling, with an expected error of 6.8 mm/km for baselines ranging from 20 to 225 km.

  6. Applications of computer modeling to fusion research

    International Nuclear Information System (INIS)

    Dawson, J.M.

    1989-01-01

    Progress achieved during this report period is presented on the following topics: Development and application of gyrokinetic particle codes to tokamak transport, development of techniques to take advantage of parallel computers; model dynamo and bootstrap current drive; and in general maintain our broad-based program in basic plasma physics and computer modeling

  7. Large Scale Computations in Air Pollution Modelling

    DEFF Research Database (Denmark)

    Zlatev, Z.; Brandt, J.; Builtjes, P. J. H.

    Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998......Proceedings of the NATO Advanced Research Workshop on Large Scale Computations in Air Pollution Modelling, Sofia, Bulgaria, 6-10 July 1998...

  8. Computer Aided Continuous Time Stochastic Process Modelling

    DEFF Research Database (Denmark)

    Kristensen, N.R.; Madsen, Henrik; Jørgensen, Sten Bay

    2001-01-01

    A grey-box approach to process modelling that combines deterministic and stochastic modelling is advocated for identification of models for model-based control of batch and semi-batch processes. A computer-aided tool designed for supporting decision-making within the corresponding modelling cycle...

  9. Aberration studies and computer algebra

    International Nuclear Information System (INIS)

    Hawkes, P.W.

    1981-01-01

    The labour of calculating expressions for aberration coefficients is considerably lightened if a computer algebra language is used to perform the various substitutions and expansions involved. After a brief discussion of matrix representations of aberration coefficients, a particular language, which has shown itself to be well adapted to particle optics, is described and applied to the study of high frequency cavity lenses. (orig.)

  10. Computer models for optimizing radiation therapy

    International Nuclear Information System (INIS)

    Duechting, W.

    1998-01-01

    The aim of this contribution is to outline how methods of system analysis, control therapy and modelling can be applied to simulate normal and malignant cell growth and to optimize cancer treatment as for instance radiation therapy. Based on biological observations and cell kinetic data, several types of models have been developed describing the growth of tumor spheroids and the cell renewal of normal tissue. The irradiation model is represented by the so-called linear-quadratic model describing the survival fraction as a function of the dose. Based thereon, numerous simulation runs for different treatment schemes can be performed. Thus, it is possible to study the radiation effect on tumor and normal tissue separately. Finally, this method enables a computer-assisted recommendation for an optimal patient-specific treatment schedule prior to clinical therapy. (orig.) [de

  11. The difference of canine, first and second premolar tooth size resulted from cone beam computed tomography imaging with Moyers Prediction Table on the working study model

    Directory of Open Access Journals (Sweden)

    Julies Hariani Sugiaman

    2011-03-01

    Full Text Available Model study is one of the standard orthodontic components which is important for diagnosis and treatment plan, but in some patients with the high gag reflex, it will be difficult to get this kind of study models. The existence of a new device which is able to show the condition of patients' mouth in three space areas (axial, sagittal, and coronal is expected to be an alternative when a study model is difficult to get. The purpose of this study is to find out whether or not there are any differences on the size of canine's mesiodistal, first and second premolar resulted from CBCT imaging with Moyers analysis on the study models. The method of the research is comparative descriptive. Measurements are made on 10 CBCT imaging results and 10 study models. The mesiodistal size, the result of CBCT imaging is measured by the available computer program and also the mesiodistal size of the study models is measured using a sliding compass, and then the size of canines, first and second premolar teeth resulted from CBCT imaging are compared to the result of Moyers method analysis on the study models. The t-test is used to find out if there is a difference between teeth size value between the CBCT imaging with the study models. The significance is determined based on the p-value t table.

  12. Toward a computational model of hemostasis

    Science.gov (United States)

    Leiderman, Karin; Danes, Nicholas; Schoeman, Rogier; Neeves, Keith

    2017-11-01

    Hemostasis is the process by which a blood clot forms to prevent bleeding at a site of injury. The formation time, size and structure of a clot depends on the local hemodynamics and the nature of the injury. Our group has previously developed computational models to study intravascular clot formation, a process confined to the interior of a single vessel. Here we present the first stage of an experimentally-validated, computational model of extravascular clot formation (hemostasis) in which blood through a single vessel initially escapes through a hole in the vessel wall and out a separate injury channel. This stage of the model consists of a system of partial differential equations that describe platelet aggregation and hemodynamics, solved via the finite element method. We also present results from the analogous, in vitro, microfluidic model. In both models, formation of a blood clot occludes the injury channel and stops flow from escaping while blood in the main vessel retains its fluidity. We discuss the different biochemical and hemodynamic effects on clot formation using distinct geometries representing intra- and extravascular injuries.

  13. Adsorption and diffusion of fructose in zeolite HZSM-5: selection of models and methods for computational studies

    International Nuclear Information System (INIS)

    Cheng, L.; Curtiss, L.A.; Assary, R.S.; Greeley, J.; Kerber, T.; Sauer, J.

    2011-01-01

    The adsorption and protonation of fructose in HZSM-5 have been studied for the assessment of models for accurate reaction energy calculations and the evaluation of molecular diffusivity. The adsorption and protonation were calculated using 2T, 5T, and 46T clusters as well as a periodic model. The results indicate that the reaction thermodynamics cannot be predicted correctly using small cluster models, such as 2T or 5T, because these small cluster models fail to represent the electrostatic effect of a zeolite cage, which provides additional stabilization to the ion pair formed upon the protonation of fructose. Structural parameters optimized using the 46T cluster model agree well with those of the full periodic model; however, the calculated reaction energies are in significant error due to the poor account of dispersion effects by density functional theory. The dispersion effects contribute -30.5 kcal/mol to the binding energy of fructose in the zeolite pore based on periodic model calculations that include dispersion interactions. The protonation of the fructose ternary carbon hydroxyl group was calculated to be exothermic by 5.5 kcal/mol with a reaction barrier of 2.9 kcal/mol using the periodic model with dispersion effects. Our results suggest that the internal diffusion of fructose in HZSM-5 is very likely to be energetically limited and only occurs at high temperature due to the large size of the molecule.

  14. Computer modeling for optimal placement of gloveboxes

    Energy Technology Data Exchange (ETDEWEB)

    Hench, K.W.; Olivas, J.D. [Los Alamos National Lab., NM (United States); Finch, P.R. [New Mexico State Univ., Las Cruces, NM (United States)

    1997-08-01

    Reduction of the nuclear weapons stockpile and the general downsizing of the nuclear weapons complex has presented challenges for Los Alamos. One is to design an optimized fabrication facility to manufacture nuclear weapon primary components (pits) in an environment of intense regulation and shrinking budgets. Historically, the location of gloveboxes in a processing area has been determined without benefit of industrial engineering studies to ascertain the optimal arrangement. The opportunity exists for substantial cost savings and increased process efficiency through careful study and optimization of the proposed layout by constructing a computer model of the fabrication process. This paper presents an integrative two- stage approach to modeling the casting operation for pit fabrication. The first stage uses a mathematical technique for the formulation of the facility layout problem; the solution procedure uses an evolutionary heuristic technique. The best solutions to the layout problem are used as input to the second stage - a computer simulation model that assesses the impact of competing layouts on operational performance. The focus of the simulation model is to determine the layout that minimizes personnel radiation exposures and nuclear material movement, and maximizes the utilization of capacity for finished units.

  15. Computer modeling for optimal placement of gloveboxes

    International Nuclear Information System (INIS)

    Hench, K.W.; Olivas, J.D.; Finch, P.R.

    1997-08-01

    Reduction of the nuclear weapons stockpile and the general downsizing of the nuclear weapons complex has presented challenges for Los Alamos. One is to design an optimized fabrication facility to manufacture nuclear weapon primary components (pits) in an environment of intense regulation and shrinking budgets. Historically, the location of gloveboxes in a processing area has been determined without benefit of industrial engineering studies to ascertain the optimal arrangement. The opportunity exists for substantial cost savings and increased process efficiency through careful study and optimization of the proposed layout by constructing a computer model of the fabrication process. This paper presents an integrative two- stage approach to modeling the casting operation for pit fabrication. The first stage uses a mathematical technique for the formulation of the facility layout problem; the solution procedure uses an evolutionary heuristic technique. The best solutions to the layout problem are used as input to the second stage - a computer simulation model that assesses the impact of competing layouts on operational performance. The focus of the simulation model is to determine the layout that minimizes personnel radiation exposures and nuclear material movement, and maximizes the utilization of capacity for finished units

  16. Computer Based Modelling and Simulation

    Indian Academy of Sciences (India)

    where x increases from zero to N, the saturation value. Box 1. Matrix Meth- ... such as Laplace transforms and non-linear differential equa- tions with .... atomic bomb project in the. US in the early ... his work on game theory and computers.

  17. Computer-Aided Modelling Methods and Tools

    DEFF Research Database (Denmark)

    Cameron, Ian; Gani, Rafiqul

    2011-01-01

    The development of models for a range of applications requires methods and tools. In many cases a reference model is required that allows the generation of application specific models that are fit for purpose. There are a range of computer aided modelling tools available that help to define the m...

  18. A Categorisation of Cloud Computing Business Models

    OpenAIRE

    Chang, Victor; Bacigalupo, David; Wills, Gary; De Roure, David

    2010-01-01

    This paper reviews current cloud computing business models and presents proposals on how organisations can achieve sustainability by adopting appropriate models. We classify cloud computing business models into eight types: (1) Service Provider and Service Orientation; (2) Support and Services Contracts; (3) In-House Private Clouds; (4) All-In-One Enterprise Cloud; (5) One-Stop Resources and Services; (6) Government funding; (7) Venture Capitals; and (8) Entertainment and Social Networking. U...

  19. Creation of 'Ukrytie' objects computer model

    International Nuclear Information System (INIS)

    Mazur, A.B.; Kotlyarov, V.T.; Ermolenko, A.I.; Podbereznyj, S.S.; Postil, S.D.; Shaptala, D.V.

    1999-01-01

    A partial computer model of the 'Ukrytie' object was created with the use of geoinformation technologies. The computer model makes it possible to carry out information support of the works related to the 'Ukrytie' object stabilization and its conversion into ecologically safe system for analyzing, forecasting and controlling the processes occurring in the 'Ukrytie' object. Elements and structures of the 'Ukryttia' object were designed and input into the model

  20. Computational models in physics teaching: a framework

    Directory of Open Access Journals (Sweden)

    Marco Antonio Moreira

    2012-08-01

    Full Text Available The purpose of the present paper is to present a theoretical framework to promote and assist meaningful physics learning through computational models. Our proposal is based on the use of a tool, the AVM diagram, to design educational activities involving modeling and computer simulations. The idea is to provide a starting point for the construction and implementation of didactical approaches grounded in a coherent epistemological view about scientific modeling.

  1. Computational study of packing a collagen-like molecule: quasi-hexagonal vs "Smith" collagen microfibril model.

    Science.gov (United States)

    Lee, J; Scheraga, H A; Rackovsky, S

    1996-01-01

    The lateral packing of a collagen-like molecule, CH3CO-(Gly-L-Pro-L-Pro)4-NHCH3, has been examined by energy minimization with the ECEPP/3 force field. Two current packing models, the Smith collagen microfibril twisted equilateral pentagonal model and the quasi-hexagonal packing model, have been extensively investigated. In treating the Smith microfibril model, energy minimization was carried out on various conformations including those with the symmetry of equivalent packing, i.e., in which the triple helices were arranged equivalently with respect to each other. Both models are based on the experimental observation of the characteristic axial periodicity, D = 67 nm, of light and dark bands, indicating that, if any superstructure exists, it should consist of five triple helices. The quasi-hexagonal packing structure is found to be energetically more favorable than the Smith microfibril model by as much as 31.2 kcal/mol of five triple helices. This is because the quasi-hexagonal packing geometry provides more nonbonded interaction possibilities between triple helices than does the Smith microfibril geometry. Our results are consistent with recent x-ray studies with synthetic collagen-like molecules and rat tail tendon, in which the data were interpreted as being consistent with either a quasi-hexagonal or a square-triangular structure.

  2. Computational modeling of a forward lunge

    DEFF Research Database (Denmark)

    Alkjær, Tine; Wieland, Maja Rose; Andersen, Michael Skipper

    2012-01-01

    during forward lunging. Thus, the purpose of the present study was to establish a musculoskeletal model of the forward lunge to computationally investigate the complete mechanical force equilibrium of the tibia during the movement to examine the loading pattern of the cruciate ligaments. A healthy female...... was selected from a group of healthy subjects who all performed a forward lunge on a force platform, targeting a knee flexion angle of 90°. Skin-markers were placed on anatomical landmarks on the subject and the movement was recorded by five video cameras. The three-dimensional kinematic data describing...... the forward lunge movement were extracted and used to develop a biomechanical model of the lunge movement. The model comprised two legs including femur, crus, rigid foot segments and the pelvis. Each leg had 35 independent muscle units, which were recruited according to a minimum fatigue criterion...

  3. Optimization and mathematical modeling in computer architecture

    CERN Document Server

    Sankaralingam, Karu; Nowatzki, Tony

    2013-01-01

    In this book we give an overview of modeling techniques used to describe computer systems to mathematical optimization tools. We give a brief introduction to various classes of mathematical optimization frameworks with special focus on mixed integer linear programming which provides a good balance between solver time and expressiveness. We present four detailed case studies -- instruction set customization, data center resource management, spatial architecture scheduling, and resource allocation in tiled architectures -- showing how MILP can be used and quantifying by how much it outperforms t

  4. Introducing Seismic Tomography with Computational Modeling

    Science.gov (United States)

    Neves, R.; Neves, M. L.; Teodoro, V.

    2011-12-01

    Learning seismic tomography principles and techniques involves advanced physical and computational knowledge. In depth learning of such computational skills is a difficult cognitive process that requires a strong background in physics, mathematics and computer programming. The corresponding learning environments and pedagogic methodologies should then involve sets of computational modelling activities with computer software systems which allow students the possibility to improve their mathematical or programming knowledge and simultaneously focus on the learning of seismic wave propagation and inverse theory. To reduce the level of cognitive opacity associated with mathematical or programming knowledge, several computer modelling systems have already been developed (Neves & Teodoro, 2010). Among such systems, Modellus is particularly well suited to achieve this goal because it is a domain general environment for explorative and expressive modelling with the following main advantages: 1) an easy and intuitive creation of mathematical models using just standard mathematical notation; 2) the simultaneous exploration of images, tables, graphs and object animations; 3) the attribution of mathematical properties expressed in the models to animated objects; and finally 4) the computation and display of mathematical quantities obtained from the analysis of images and graphs. Here we describe virtual simulations and educational exercises which enable students an easy grasp of the fundamental of seismic tomography. The simulations make the lecture more interactive and allow students the possibility to overcome their lack of advanced mathematical or programming knowledge and focus on the learning of seismological concepts and processes taking advantage of basic scientific computation methods and tools.

  5. Uncertainty in biology a computational modeling approach

    CERN Document Server

    Gomez-Cabrero, David

    2016-01-01

    Computational modeling of biomedical processes is gaining more and more weight in the current research into the etiology of biomedical problems and potential treatment strategies.  Computational modeling allows to reduce, refine and replace animal experimentation as well as to translate findings obtained in these experiments to the human background. However these biomedical problems are inherently complex with a myriad of influencing factors, which strongly complicates the model building and validation process.  This book wants to address four main issues related to the building and validation of computational models of biomedical processes: Modeling establishment under uncertainty Model selection and parameter fitting Sensitivity analysis and model adaptation Model predictions under uncertainty In each of the abovementioned areas, the book discusses a number of key-techniques by means of a general theoretical description followed by one or more practical examples.  This book is intended for graduate stude...

  6. The emerging role of cloud computing in molecular modelling.

    Science.gov (United States)

    Ebejer, Jean-Paul; Fulle, Simone; Morris, Garrett M; Finn, Paul W

    2013-07-01

    There is a growing recognition of the importance of cloud computing for large-scale and data-intensive applications. The distinguishing features of cloud computing and their relationship to other distributed computing paradigms are described, as are the strengths and weaknesses of the approach. We review the use made to date of cloud computing for molecular modelling projects and the availability of front ends for molecular modelling applications. Although the use of cloud computing technologies for molecular modelling is still in its infancy, we demonstrate its potential by presenting several case studies. Rapid growth can be expected as more applications become available and costs continue to fall; cloud computing can make a major contribution not just in terms of the availability of on-demand computing power, but could also spur innovation in the development of novel approaches that utilize that capacity in more effective ways. Copyright © 2013 Elsevier Inc. All rights reserved.

  7. Development and validation of a computational model to study the effect of foot constraint on ankle injury due to external rotation.

    Science.gov (United States)

    Wei, Feng; Hunley, Stanley C; Powell, John W; Haut, Roger C

    2011-02-01

    Recent studies, using two different manners of foot constraint, potted and taped, document altered failure characteristics in the human cadaver ankle under controlled external rotation of the foot. The posterior talofibular ligament (PTaFL) was commonly injured when the foot was constrained in potting material, while the frequency of deltoid ligament injury was higher for the taped foot. In this study an existing multibody computational modeling approach was validated to include the influence of foot constraint, determine the kinematics of the joint under external foot rotation, and consequently obtain strains in various ligaments. It was hypothesized that the location of ankle injury due to excessive levels of external foot rotation is a function of foot constraint. The results from this model simulation supported this hypothesis and helped to explain the mechanisms of injury in the cadaver experiments. An excessive external foot rotation might generate a PTaFL injury for a rigid foot constraint, and an anterior deltoid ligament injury for a pliant foot constraint. The computational models may be further developed and modified to simulate the human response for different shoe designs, as well as on various athletic shoe-surface interfaces, so as to provide a computational basis for optimizing athletic performance with minimal injury risk.

  8. Computational models of intergroup competition and warfare.

    Energy Technology Data Exchange (ETDEWEB)

    Letendre, Kenneth (University of New Mexico); Abbott, Robert G.

    2011-11-01

    This document reports on the research of Kenneth Letendre, the recipient of a Sandia Graduate Research Fellowship at the University of New Mexico. Warfare is an extreme form of intergroup competition in which individuals make extreme sacrifices for the benefit of their nation or other group to which they belong. Among animals, limited, non-lethal competition is the norm. It is not fully understood what factors lead to warfare. We studied the global variation in the frequency of civil conflict among countries of the world, and its positive association with variation in the intensity of infectious disease. We demonstrated that the burden of human infectious disease importantly predicts the frequency of civil conflict and tested a causal model for this association based on the parasite-stress theory of sociality. We also investigated the organization of social foraging by colonies of harvester ants in the genus Pogonomyrmex, using both field studies and computer models.

  9. A Study on the Impact of Household Occupants’ Behavior on Energy Consumption Using an Integrated Computer Model

    Directory of Open Access Journals (Sweden)

    Yaolin eLin

    2015-09-01

    Full Text Available In this paper, several models are integrated into a thermal model to study the impact of occupants’ behaviors on the building energy consumption. An air flow model is developed to simulate ventilation related to the occupant’s patterns of window opening and closing. An electric consumption model is developed to simulate the usage pattern and the electricity input to household electric appliances. The thermostat setpoint temperature and window shading schemes are varied with different occupants’ behavior norms and are included in the model. The simulation was applied to a typical household located in the city of Oshawa in Ontario, Canada. The results show that the window opening has the greatest impact on the energy consumption during the heating season, and the shading scheme has the greatest impact on the A/C energy consumption during the cooling season. The electricity consumption of the A/C can be significantly reduced by appropriately applying the shading and opening schemes and resetting the thermostat setpoint temperature to a slightly higher degree. Keeping the windows closed and allowing the solar radiation to be transmitted through the window in winter help reduce the energy usage to heat the house.

  10. Scaling predictive modeling in drug development with cloud computing.

    Science.gov (United States)

    Moghadam, Behrooz Torabi; Alvarsson, Jonathan; Holm, Marcus; Eklund, Martin; Carlsson, Lars; Spjuth, Ola

    2015-01-26

    Growing data sets with increased time for analysis is hampering predictive modeling in drug discovery. Model building can be carried out on high-performance computer clusters, but these can be expensive to purchase and maintain. We have evaluated ligand-based modeling on cloud computing resources where computations are parallelized and run on the Amazon Elastic Cloud. We trained models on open data sets of varying sizes for the end points logP and Ames mutagenicity and compare with model building parallelized on a traditional high-performance computing cluster. We show that while high-performance computing results in faster model building, the use of cloud computing resources is feasible for large data sets and scales well within cloud instances. An additional advantage of cloud computing is that the costs of predictive models can be easily quantified, and a choice can be made between speed and economy. The easy access to computational resources with no up-front investments makes cloud computing an attractive alternative for scientists, especially for those without access to a supercomputer, and our study shows that it enables cost-efficient modeling of large data sets on demand within reasonable time.

  11. Computational challenges in modeling gene regulatory events.

    Science.gov (United States)

    Pataskar, Abhijeet; Tiwari, Vijay K

    2016-10-19

    Cellular transcriptional programs driven by genetic and epigenetic mechanisms could be better understood by integrating "omics" data and subsequently modeling the gene-regulatory events. Toward this end, computational biology should keep pace with evolving experimental procedures and data availability. This article gives an exemplified account of the current computational challenges in molecular biology.

  12. Notions of similarity for computational biology models

    KAUST Repository

    Waltemath, Dagmar

    2016-03-21

    Computational models used in biology are rapidly increasing in complexity, size, and numbers. To build such large models, researchers need to rely on software tools for model retrieval, model combination, and version control. These tools need to be able to quantify the differences and similarities between computational models. However, depending on the specific application, the notion of similarity may greatly vary. A general notion of model similarity, applicable to various types of models, is still missing. Here, we introduce a general notion of quantitative model similarities, survey the use of existing model comparison methods in model building and management, and discuss potential applications of model comparison. To frame model comparison as a general problem, we describe a theoretical approach to defining and computing similarities based on different model aspects. Potentially relevant aspects of a model comprise its references to biological entities, network structure, mathematical equations and parameters, and dynamic behaviour. Future similarity measures could combine these model aspects in flexible, problem-specific ways in order to mimic users\\' intuition about model similarity, and to support complex model searches in databases.

  13. Notions of similarity for computational biology models

    KAUST Repository

    Waltemath, Dagmar; Henkel, Ron; Hoehndorf, Robert; Kacprowski, Tim; Knuepfer, Christian; Liebermeister, Wolfram

    2016-01-01

    Computational models used in biology are rapidly increasing in complexity, size, and numbers. To build such large models, researchers need to rely on software tools for model retrieval, model combination, and version control. These tools need to be able to quantify the differences and similarities between computational models. However, depending on the specific application, the notion of similarity may greatly vary. A general notion of model similarity, applicable to various types of models, is still missing. Here, we introduce a general notion of quantitative model similarities, survey the use of existing model comparison methods in model building and management, and discuss potential applications of model comparison. To frame model comparison as a general problem, we describe a theoretical approach to defining and computing similarities based on different model aspects. Potentially relevant aspects of a model comprise its references to biological entities, network structure, mathematical equations and parameters, and dynamic behaviour. Future similarity measures could combine these model aspects in flexible, problem-specific ways in order to mimic users' intuition about model similarity, and to support complex model searches in databases.

  14. Predictive Models and Computational Embryology

    Science.gov (United States)

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

  15. Modern Theories of Pelvic Floor Support : A Topical Review of Modern Studies on Structural and Functional Pelvic Floor Support from Medical Imaging, Computational Modeling, and Electromyographic Perspectives.

    Science.gov (United States)

    Peng, Yun; Miller, Brandi D; Boone, Timothy B; Zhang, Yingchun

    2018-02-12

    Weakened pelvic floor support is believed to be the main cause of various pelvic floor disorders. Modern theories of pelvic floor support stress on the structural and functional integrity of multiple structures and their interplay to maintain normal pelvic floor functions. Connective tissues provide passive pelvic floor support while pelvic floor muscles provide active support through voluntary contraction. Advanced modern medical technologies allow us to comprehensively and thoroughly evaluate the interaction of supporting structures and assess both active and passive support functions. The pathophysiology of various pelvic floor disorders associated with pelvic floor weakness is now under scrutiny from the combination of (1) morphological, (2) dynamic (through computational modeling), and (3) neurophysiological perspectives. This topical review aims to update newly emerged studies assessing pelvic floor support function among these three categories. A literature search was performed with emphasis on (1) medical imaging studies that assess pelvic floor muscle architecture, (2) subject-specific computational modeling studies that address new topics such as modeling muscle contractions, and (3) pelvic floor neurophysiology studies that report novel devices or findings such as high-density surface electromyography techniques. We found that recent computational modeling studies are featured with more realistic soft tissue constitutive models (e.g., active muscle contraction) as well as an increasing interest in simulating surgical interventions (e.g., artificial sphincter). Diffusion tensor imaging provides a useful non-invasive tool to characterize pelvic floor muscles at the microstructural level, which can be potentially used to improve the accuracy of the simulation of muscle contraction. Studies using high-density surface electromyography anal and vaginal probes on large patient cohorts have been recently reported. Influences of vaginal delivery on the

  16. Support vector machine model for diagnosis of lymph node metastasis in gastric cancer with multidetector computed tomography: a preliminary study

    Directory of Open Access Journals (Sweden)

    Gao Yun

    2011-01-01

    Full Text Available Abstract Background Lymph node metastasis (LNM of gastric cancer is an important prognostic factor regarding long-term survival. But several imaging techniques which are commonly used in stomach cannot satisfactorily assess the gastric cancer lymph node status. They can not achieve both high sensitivity and specificity. As a kind of machine-learning methods, Support Vector Machine has the potential to solve this complex issue. Methods The institutional review board approved this retrospective study. 175 consecutive patients with gastric cancer who underwent MDCT before surgery were included. We evaluated the tumor and lymph node indicators on CT images including serosal invasion, tumor classification, tumor maximum diameter, number of lymph nodes, maximum lymph node size and lymph nodes station, which reflected the biological behavior of gastric cancer. Univariate analysis was used to analyze the relationship between the six image indicators with LNM. A SVM model was built with these indicators above as input index. The output index was that lymph node metastasis of the patient was positive or negative. It was confirmed by the surgery and histopathology. A standard machine-learning technique called k-fold cross-validation (5-fold in our study was used to train and test SVM models. We evaluated the diagnostic capability of the SVM models in lymph node metastasis with the receiver operating characteristic (ROC curves. And the radiologist classified the lymph node metastasis of patients by using maximum lymph node size on CT images as criterion. We compared the areas under ROC curves (AUC of the radiologist and SVM models. Results In 175 cases, the cases of lymph node metastasis were 134 and 41 cases were not. The six image indicators all had statistically significant differences between the LNM negative and positive groups. The means of the sensitivity, specificity and AUC of SVM models with 5-fold cross-validation were 88.5%, 78.5% and 0

  17. Support vector machine model for diagnosis of lymph node metastasis in gastric cancer with multidetector computed tomography: a preliminary study

    International Nuclear Information System (INIS)

    Zhang, Xiao-Peng; Wang, Zhi-Long; Tang, Lei; Sun, Ying-Shi; Cao, Kun; Gao, Yun

    2011-01-01

    Lymph node metastasis (LNM) of gastric cancer is an important prognostic factor regarding long-term survival. But several imaging techniques which are commonly used in stomach cannot satisfactorily assess the gastric cancer lymph node status. They can not achieve both high sensitivity and specificity. As a kind of machine-learning methods, Support Vector Machine has the potential to solve this complex issue. The institutional review board approved this retrospective study. 175 consecutive patients with gastric cancer who underwent MDCT before surgery were included. We evaluated the tumor and lymph node indicators on CT images including serosal invasion, tumor classification, tumor maximum diameter, number of lymph nodes, maximum lymph node size and lymph nodes station, which reflected the biological behavior of gastric cancer. Univariate analysis was used to analyze the relationship between the six image indicators with LNM. A SVM model was built with these indicators above as input index. The output index was that lymph node metastasis of the patient was positive or negative. It was confirmed by the surgery and histopathology. A standard machine-learning technique called k-fold cross-validation (5-fold in our study) was used to train and test SVM models. We evaluated the diagnostic capability of the SVM models in lymph node metastasis with the receiver operating characteristic (ROC) curves. And the radiologist classified the lymph node metastasis of patients by using maximum lymph node size on CT images as criterion. We compared the areas under ROC curves (AUC) of the radiologist and SVM models. In 175 cases, the cases of lymph node metastasis were 134 and 41 cases were not. The six image indicators all had statistically significant differences between the LNM negative and positive groups. The means of the sensitivity, specificity and AUC of SVM models with 5-fold cross-validation were 88.5%, 78.5% and 0.876, respectively. While the diagnostic power of the

  18. Autonomous Micro-Modular Mobile Data Center Cloud Computing Study for Modeling, Simulation, Information Processing and Cyber-Security Viability

    Data.gov (United States)

    National Aeronautics and Space Administration — Cloud computing environments offer opportunities for malicious users to penetrate security layers and damage, destroy or steal data. This ability can be exploited to...

  19. Sierra toolkit computational mesh conceptual model

    International Nuclear Information System (INIS)

    Baur, David G.; Edwards, Harold Carter; Cochran, William K.; Williams, Alan B.; Sjaardema, Gregory D.

    2010-01-01

    The Sierra Toolkit computational mesh is a software library intended to support massively parallel multi-physics computations on dynamically changing unstructured meshes. This domain of intended use is inherently complex due to distributed memory parallelism, parallel scalability, heterogeneity of physics, heterogeneous discretization of an unstructured mesh, and runtime adaptation of the mesh. Management of this inherent complexity begins with a conceptual analysis and modeling of this domain of intended use; i.e., development of a domain model. The Sierra Toolkit computational mesh software library is designed and implemented based upon this domain model. Software developers using, maintaining, or extending the Sierra Toolkit computational mesh library must be familiar with the concepts/domain model presented in this report.

  20. Computer stress study of bone with computed tomography

    International Nuclear Information System (INIS)

    Linden, M.J.; Marom, S.A.; Linden, C.N.

    1986-01-01

    A computer processing tool has been developed which, together with a finite element program, determines the stress-deformation pattern in a long bone, utilizing Computed Tomography (CT) data files for the geometry and radiographic density information. The geometry, together with mechanical properties and boundary conditions: loads and displacements, comprise the input of the Finite element (FE) computer program. The output of the program is the stresses and deformations in the bone. The processor is capable of developing an accurate three-dimensional finite element model from a scanned human long bone due to the CT high pixel resolution and the local mechanical properties determined from the radiographic densities of the scanned bone. The processor, together with the finite element program, serves first as an analysis tool towards improved understanding of bone function and remodelling. In this first stage, actual long bones may be scanned and analyzed under applied loads and displacements, determined from existing gait analyses. The stress-deformation patterns thus obtained may be used for studying the biomechanical behavior of particular long bones such as bones with implants and with osteoporosis. As a second stage, this processor may serve as a diagnostic tool for analyzing the biomechanical response of a specific patient's long long bone under applied loading by utilizing a CT data file of the specific bone as an input to the processor with the FE program

  1. Computer simulations of the random barrier model

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Dyre, Jeppe

    2002-01-01

    A brief review of experimental facts regarding ac electronic and ionic conduction in disordered solids is given followed by a discussion of what is perhaps the simplest realistic model, the random barrier model (symmetric hopping model). Results from large scale computer simulations are presented...

  2. Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model

    Science.gov (United States)

    Wong, Jessina; Jahn, David A.; Giovambattista, Nicolas

    2015-08-01

    We study the pressure-induced transformations between low-density amorphous (LDA) and high-density amorphous (HDA) ice by performing out-of-equilibrium molecular dynamics (MD) simulations. We employ the TIP4P/2005 water model and show that this model reproduces qualitatively the LDA-HDA transformations observed experimentally. Specifically, the TIP4P/2005 model reproduces remarkably well the (i) structure (OO, OH, and HH radial distribution functions) and (ii) densities of LDA and HDA at P = 0.1 MPa and T = 80 K, as well as (iii) the qualitative behavior of ρ(P) during compression-induced LDA-to-HDA and decompression-induced HDA-to-LDA transformations. At the rates explored, the HDA-to-LDA transformation is less pronounced than in experiments. By studying the LDA-HDA transformations for a broad range of compression/decompression temperatures, we construct a "P-T phase diagram" for glassy water that is consistent with experiments and remarkably similar to that reported previously for ST2 water. This phase diagram is not inconsistent with the possibility of TIP4P/2005 water exhibiting a liquid-liquid phase transition at low temperatures. A comparison with previous MD simulation studies of SPC/E and ST2 water as well as experiments indicates that, overall, the TIP4P/2005 model performs better than the SPC/E and ST2 models. The effects of cooling and compression rates as well as aging on our MD simulations results are also discussed. The MD results are qualitatively robust under variations of cooling/compression rates (accessible in simulations) and are not affected by aging the hyperquenched glass for at least 1 μs. A byproduct of this work is the calculation of TIP4P/2005 water's diffusion coefficient D(T) at P = 0.1 MPa. It is found that, for T ≥ 210 K, D(T) ≈ (T - TMCT)-γ as predicted by mode coupling theory and in agreement with experiments. For TIP4P/2005 water, TMCT = 209 K and γ = 2.14, very close to the corresponding experimental values TMCT = 221 K

  3. Establishing a Cloud Computing Success Model for Hospitals in Taiwan

    OpenAIRE

    Lian, Jiunn-Woei

    2017-01-01

    The purpose of this study is to understand the critical quality-related factors that affect cloud computing success of hospitals in Taiwan. In this study, private cloud computing is the major research target. The chief information officers participated in a questionnaire survey. The results indicate that the integration of trust into the information systems success model will have acceptable explanatory power to understand cloud computing success in the hospital. Moreover, information quality...

  4. Computational aspects of premixing modelling

    Energy Technology Data Exchange (ETDEWEB)

    Fletcher, D.F. [Sydney Univ., NSW (Australia). Dept. of Chemical Engineering; Witt, P.J.

    1998-01-01

    In the steam explosion research field there is currently considerable effort being devoted to the modelling of premixing. Practically all models are based on the multiphase flow equations which treat the mixture as an interpenetrating continuum. Solution of these equations is non-trivial and a wide range of solution procedures are in use. This paper addresses some numerical aspects of this problem. In particular, we examine the effect of the differencing scheme for the convective terms and show that use of hybrid differencing can cause qualitatively wrong solutions in some situations. Calculations are performed for the Oxford tests, the BNL tests, a MAGICO test and to investigate various sensitivities of the solution. In addition, we show that use of a staggered grid can result in a significant error which leads to poor predictions of `melt` front motion. A correction is given which leads to excellent convergence to the analytic solution. Finally, we discuss the issues facing premixing model developers and highlight the fact that model validation is hampered more by the complexity of the process than by numerical issues. (author)

  5. Computational modeling of concrete flow

    DEFF Research Database (Denmark)

    Roussel, Nicolas; Geiker, Mette Rica; Dufour, Frederic

    2007-01-01

    particle flow, and numerical techniques allowing the modeling of particles suspended in a fluid. The general concept behind each family of techniques is described. Pros and cons for each technique are given along with examples and references to applications to fresh cementitious materials....

  6. Modeling Techniques for a Computational Efficient Dynamic Turbofan Engine Model

    Directory of Open Access Journals (Sweden)

    Rory A. Roberts

    2014-01-01

    Full Text Available A transient two-stream engine model has been developed. Individual component models developed exclusively in MATLAB/Simulink including the fan, high pressure compressor, combustor, high pressure turbine, low pressure turbine, plenum volumes, and exit nozzle have been combined to investigate the behavior of a turbofan two-stream engine. Special attention has been paid to the development of transient capabilities throughout the model, increasing physics model, eliminating algebraic constraints, and reducing simulation time through enabling the use of advanced numerical solvers. The lessening of computation time is paramount for conducting future aircraft system-level design trade studies and optimization. The new engine model is simulated for a fuel perturbation and a specified mission while tracking critical parameters. These results, as well as the simulation times, are presented. The new approach significantly reduces the simulation time.

  7. Computer Modeling of Direct Metal Laser Sintering

    Science.gov (United States)

    Cross, Matthew

    2014-01-01

    A computational approach to modeling direct metal laser sintering (DMLS) additive manufacturing process is presented. The primary application of the model is for determining the temperature history of parts fabricated using DMLS to evaluate residual stresses found in finished pieces and to assess manufacturing process strategies to reduce part slumping. The model utilizes MSC SINDA as a heat transfer solver with imbedded FORTRAN computer code to direct laser motion, apply laser heating as a boundary condition, and simulate the addition of metal powder layers during part fabrication. Model results are compared to available data collected during in situ DMLS part manufacture.

  8. Visual and Computational Modelling of Minority Games

    Directory of Open Access Journals (Sweden)

    Robertas Damaševičius

    2017-02-01

    Full Text Available The paper analyses the Minority Game and focuses on analysis and computational modelling of several variants (variable payoff, coalition-based and ternary voting of Minority Game using UAREI (User-Action-Rule-Entities-Interface model. UAREI is a model for formal specification of software gamification, and the UAREI visual modelling language is a language used for graphical representation of game mechanics. The URAEI model also provides the embedded executable modelling framework to evaluate how the rules of the game will work for the players in practice. We demonstrate flexibility of UAREI model for modelling different variants of Minority Game rules for game design.

  9. Model to Implement Virtual Computing Labs via Cloud Computing Services

    Directory of Open Access Journals (Sweden)

    Washington Luna Encalada

    2017-07-01

    Full Text Available In recent years, we have seen a significant number of new technological ideas appearing in literature discussing the future of education. For example, E-learning, cloud computing, social networking, virtual laboratories, virtual realities, virtual worlds, massive open online courses (MOOCs, and bring your own device (BYOD are all new concepts of immersive and global education that have emerged in educational literature. One of the greatest challenges presented to e-learning solutions is the reproduction of the benefits of an educational institution’s physical laboratory. For a university without a computing lab, to obtain hands-on IT training with software, operating systems, networks, servers, storage, and cloud computing similar to that which could be received on a university campus computing lab, it is necessary to use a combination of technological tools. Such teaching tools must promote the transmission of knowledge, encourage interaction and collaboration, and ensure students obtain valuable hands-on experience. That, in turn, allows the universities to focus more on teaching and research activities than on the implementation and configuration of complex physical systems. In this article, we present a model for implementing ecosystems which allow universities to teach practical Information Technology (IT skills. The model utilizes what is called a “social cloud”, which utilizes all cloud computing services, such as Software as a Service (SaaS, Platform as a Service (PaaS, and Infrastructure as a Service (IaaS. Additionally, it integrates the cloud learning aspects of a MOOC and several aspects of social networking and support. Social clouds have striking benefits such as centrality, ease of use, scalability, and ubiquity, providing a superior learning environment when compared to that of a simple physical lab. The proposed model allows students to foster all the educational pillars such as learning to know, learning to be, learning

  10. Multiscale modelling of dual-porosity porous media; a computational pore-scale study for flow and solute transport

    Science.gov (United States)

    de Vries, Enno T.; Raoof, Amir; van Genuchten, Martinus Th.

    2017-07-01

    Many environmental and agricultural applications involve the transport of water and dissolved constituents through aggregated soil profiles, or porous media that are structured, fractured or macroporous in other ways. During the past several decades, various process-based macroscopic models have been used to simulate contaminant transport in such media. Many of these models consider advective-dispersive transport through relatively large inter-aggregate pore domains, while exchange with the smaller intra-aggregate pores is assumed to be controlled by diffusion. Exchange of solute between the two domains is often represented using a first-order mass transfer coefficient, which is commonly obtained by fitting to observed data. This study aims to understand and quantify the solute exchange term by applying a dual-porosity pore-scale network model to relatively large domains, and analysing the pore-scale results in terms of the classical dual-porosity (mobile-immobile) transport formulation. We examined the effects of key parameters (notably aggregate porosity and aggregate permeability) on the main dual-porosity model parameters, i.e., the mobile water fraction (ϕm) and the mass transfer coefficient (α). Results were obtained for a wide range of aggregate porosities (between 0.082 and 0.700). The effect of aggregate permeability was explored by varying pore throat sizes within the aggregates. Solute breakthrough curves (BTCs) obtained with the pore-scale network model at several locations along the domain were analysed using analytical solutions of the dual-porosity model to obtain estimates of ϕm and α. An increase in aggregate porosity was found to decrease ϕm and increase α, leading to considerable tailing in the BTCs. Changes in the aggregate pore throat size affected the relative flow velocity between the intra- and inter-aggregate domains. Higher flow velocities within the aggregates caused a change in the transport regime from diffusion dominated to more

  11. Direct modeling for computational fluid dynamics

    Science.gov (United States)

    Xu, Kun

    2015-06-01

    All fluid dynamic equations are valid under their modeling scales, such as the particle mean free path and mean collision time scale of the Boltzmann equation and the hydrodynamic scale of the Navier-Stokes (NS) equations. The current computational fluid dynamics (CFD) focuses on the numerical solution of partial differential equations (PDEs), and its aim is to get the accurate solution of these governing equations. Under such a CFD practice, it is hard to develop a unified scheme that covers flow physics from kinetic to hydrodynamic scales continuously because there is no such governing equation which could make a smooth transition from the Boltzmann to the NS modeling. The study of fluid dynamics needs to go beyond the traditional numerical partial differential equations. The emerging engineering applications, such as air-vehicle design for near-space flight and flow and heat transfer in micro-devices, do require further expansion of the concept of gas dynamics to a larger domain of physical reality, rather than the traditional distinguishable governing equations. At the current stage, the non-equilibrium flow physics has not yet been well explored or clearly understood due to the lack of appropriate tools. Unfortunately, under the current numerical PDE approach, it is hard to develop such a meaningful tool due to the absence of valid PDEs. In order to construct multiscale and multiphysics simulation methods similar to the modeling process of constructing the Boltzmann or the NS governing equations, the development of a numerical algorithm should be based on the first principle of physical modeling. In this paper, instead of following the traditional numerical PDE path, we introduce direct modeling as a principle for CFD algorithm development. Since all computations are conducted in a discretized space with limited cell resolution, the flow physics to be modeled has to be done in the mesh size and time step scales. Here, the CFD is more or less a direct

  12. Computational modeling of epiphany learning.

    Science.gov (United States)

    Chen, Wei James; Krajbich, Ian

    2017-05-02

    Models of reinforcement learning (RL) are prevalent in the decision-making literature, but not all behavior seems to conform to the gradual convergence that is a central feature of RL. In some cases learning seems to happen all at once. Limited prior research on these "epiphanies" has shown evidence of sudden changes in behavior, but it remains unclear how such epiphanies occur. We propose a sequential-sampling model of epiphany learning (EL) and test it using an eye-tracking experiment. In the experiment, subjects repeatedly play a strategic game that has an optimal strategy. Subjects can learn over time from feedback but are also allowed to commit to a strategy at any time, eliminating all other options and opportunities to learn. We find that the EL model is consistent with the choices, eye movements, and pupillary responses of subjects who commit to the optimal strategy (correct epiphany) but not always of those who commit to a suboptimal strategy or who do not commit at all. Our findings suggest that EL is driven by a latent evidence accumulation process that can be revealed with eye-tracking data.

  13. Stochastic linear programming models, theory, and computation

    CERN Document Server

    Kall, Peter

    2011-01-01

    This new edition of Stochastic Linear Programming: Models, Theory and Computation has been brought completely up to date, either dealing with or at least referring to new material on models and methods, including DEA with stochastic outputs modeled via constraints on special risk functions (generalizing chance constraints, ICC’s and CVaR constraints), material on Sharpe-ratio, and Asset Liability Management models involving CVaR in a multi-stage setup. To facilitate use as a text, exercises are included throughout the book, and web access is provided to a student version of the authors’ SLP-IOR software. Additionally, the authors have updated the Guide to Available Software, and they have included newer algorithms and modeling systems for SLP. The book is thus suitable as a text for advanced courses in stochastic optimization, and as a reference to the field. From Reviews of the First Edition: "The book presents a comprehensive study of stochastic linear optimization problems and their applications. … T...

  14. Mathematical modeling and computational intelligence in engineering applications

    CERN Document Server

    Silva Neto, Antônio José da; Silva, Geraldo Nunes

    2016-01-01

    This book brings together a rich selection of studies in mathematical modeling and computational intelligence, with application in several fields of engineering, like automation, biomedical, chemical, civil, electrical, electronic, geophysical and mechanical engineering, on a multidisciplinary approach. Authors from five countries and 16 different research centers contribute with their expertise in both the fundamentals and real problems applications based upon their strong background on modeling and computational intelligence. The reader will find a wide variety of applications, mathematical and computational tools and original results, all presented with rigorous mathematical procedures. This work is intended for use in graduate courses of engineering, applied mathematics and applied computation where tools as mathematical and computational modeling, numerical methods and computational intelligence are applied to the solution of real problems.

  15. PROCEEDINGS OF THE 2008 Computers in Music Modeling and Retrieval and Network for Cross-Disciplinary Studies of Music and Meaning Conference

    DEFF Research Database (Denmark)

    and encouraged studies that linked sound modeling by analysis-synthesis to perception and cognition. CMMR 2008 seeks to enlarge upon the Sense of Sounds-concept by taking into account the musical structure as a whole. More precisely, the workshop will have as its theme Genesis of Meaning in Sound and Music......The field of computer music is interdisciplinary by nature and closely related to a number of areas in computer science and engineering. The first CMMR  gatherings mainly focused on information retrieval, programming, digital libraries, hypermedia, artificial intelligence, acoustics and signal...... processing. In 2005 CMMR started moving towards a more interdisciplinary view of the field by putting increased emphasis on the investigation of the role of human interaction at all levels of musical practice. CMMR 2007 focused on the Sense of Sounds from the synthesis and retrieval point of view...

  16. Post-mortem computed tomography angiography utilizing barium sulfate to identify microvascular structures : a preliminary phantom model and case study

    NARCIS (Netherlands)

    Haakma, Wieke; Rohde, Marianne; Kuster, Lidy; Uhrenholt, Lars; Pedersen, Michael; Boel, Lene Warner Thorup

    2016-01-01

    We investigated the use of computer tomography angiography (CTA) to visualize microvascular structures in a vessel-mimicking phantom and post-mortem (PM) bodies. A contrast agent was used based on 22% barium sulfate, 20% polyethylene glycol and 58% distilled water. A vessel-mimicking phantom

  17. Vocal tract changes caused by phonation into a tube: A case study using computer tomography and finite-element modeling

    Czech Academy of Sciences Publication Activity Database

    Vampola, T.; Laukkanen, A. M.; Horáček, Jaromír; Švec, J. G.

    2011-01-01

    Roč. 129, č. 1 (2011), s. 310-315 ISSN 0001-4966 R&D Projects: GA ČR GA101/08/1155 Institutional research plan: CEZ:AV0Z20760514 Keywords : voice production * computer tomography * vocal tract Subject RIV: BI - Acoustics Impact factor: 1.550, year: 2011

  18. Consumer Security Perceptions and the Perceived Influence on Adopting Cloud Computing: A Quantitative Study Using the Technology Acceptance Model

    Science.gov (United States)

    Paquet, Katherine G.

    2013-01-01

    Cloud computing may provide cost benefits for organizations by eliminating the overhead costs of software, hardware, and maintenance (e.g., license renewals, upgrading software, servers and their physical storage space, administration along with funding a large IT department). In addition to the promised savings, the organization may require…

  19. Influence of Distal Resistance and Proximal Stiffness on Hemodynamics and RV Afterload in Progression and Treatments of Pulmonary Hypertension: A Computational Study with Validation Using Animal Models

    Directory of Open Access Journals (Sweden)

    Zhenbi Su

    2013-01-01

    Full Text Available We develop a simple computational model based on measurements from a hypoxic neonatal calf model of pulmonary hypertension (PH to investigate the interplay between vascular and ventricular measures in the setting of progressive PH. Model parameters were obtained directly from in vivo and ex vivo measurements of neonatal calves. Seventeen sets of model-predicted impedance and mean pulmonary arterial pressure (mPAP show good agreement with the animal measurements, thereby validating the model. Next, we considered a predictive model in which three parameters, PVR, elastic modulus (EM, and arterial thickness, were varied singly from one simulation to the next to study their individual roles in PH progression. Finally, we used the model to predict the individual impacts of clinical (vasodilatory and theoretical (compliance increasing PH treatments on improving pulmonary hemodynamics. Our model (1 displayed excellent patient-specific agreement with measured global pulmonary parameters; (2 quantified relationships between PVR and mean pressure and PVS and pulse pressure, as well as studiying the right ventricular (RV afterload, which could be measured as a hydraulic load calculated from spectral analysis of pulmonary artery pressure and flow waves; (3 qualitatively confirmed the derangement of vascular wall shear stress in progressive PH; and (4 established that decreasing proximal vascular stiffness through a theoretical treatment of reversing proximal vascular remodeling could decrease RV afterload.

  20. NMR and computer modelling conformational study of N-benzyl, N-n-propyl (2-methyl-3-nitrophenyl)acetamide

    International Nuclear Information System (INIS)

    Nicolle, E.; Benoit-Guyod, M.; Namil, A.; Cussac, M.; Leclerc, G.; Maldivi, P.

    1995-01-01

    The conformation of N-benzyl-N-n-propyl (2-methyl-3-nitrophenyl) acetamide 1 in dimethyl sulfoxide (DMSO-d 6 ) or chloroform (CDCL 3 ) solution was studied using 1 H and 13 CNMR analysis. In solution, 1 existed as two distinct Z and E isomers, which could not be separated at laboratory temperature. Both conformations were in equivalent proportions in chloroform whereas in a polar solvent (DMSO), the conformation Z was more usual with the aromatic rings in a transposition. Major and minor rotation isomers were assigned form the '1H and 13 C NMR chemical shifts determined at 293 K. Separate treatment of signals displayed by two different methylene groups gave comparable activation parameters (ΔG ∼ 16 kcal/mol). Conformational analysis and measurement of the rotational barrier between the E and Z conformers by molecular modeling (Sybyl program) were performed. (authors). 14 refs., 8 figs

  1. Establishing a Cloud Computing Success Model for Hospitals in Taiwan

    Science.gov (United States)

    Lian, Jiunn-Woei

    2017-01-01

    The purpose of this study is to understand the critical quality-related factors that affect cloud computing success of hospitals in Taiwan. In this study, private cloud computing is the major research target. The chief information officers participated in a questionnaire survey. The results indicate that the integration of trust into the information systems success model will have acceptable explanatory power to understand cloud computing success in the hospital. Moreover, information quality and system quality directly affect cloud computing satisfaction, whereas service quality indirectly affects the satisfaction through trust. In other words, trust serves as the mediator between service quality and satisfaction. This cloud computing success model will help hospitals evaluate or achieve success after adopting private cloud computing health care services. PMID:28112020

  2. Establishing a Cloud Computing Success Model for Hospitals in Taiwan.

    Science.gov (United States)

    Lian, Jiunn-Woei

    2017-01-01

    The purpose of this study is to understand the critical quality-related factors that affect cloud computing success of hospitals in Taiwan. In this study, private cloud computing is the major research target. The chief information officers participated in a questionnaire survey. The results indicate that the integration of trust into the information systems success model will have acceptable explanatory power to understand cloud computing success in the hospital. Moreover, information quality and system quality directly affect cloud computing satisfaction, whereas service quality indirectly affects the satisfaction through trust. In other words, trust serves as the mediator between service quality and satisfaction. This cloud computing success model will help hospitals evaluate or achieve success after adopting private cloud computing health care services.

  3. Establishing a Cloud Computing Success Model for Hospitals in Taiwan

    Directory of Open Access Journals (Sweden)

    Jiunn-Woei Lian PhD

    2017-01-01

    Full Text Available The purpose of this study is to understand the critical quality-related factors that affect cloud computing success of hospitals in Taiwan. In this study, private cloud computing is the major research target. The chief information officers participated in a questionnaire survey. The results indicate that the integration of trust into the information systems success model will have acceptable explanatory power to understand cloud computing success in the hospital. Moreover, information quality and system quality directly affect cloud computing satisfaction, whereas service quality indirectly affects the satisfaction through trust. In other words, trust serves as the mediator between service quality and satisfaction. This cloud computing success model will help hospitals evaluate or achieve success after adopting private cloud computing health care services.

  4. Computational models of airway branching morphogenesis.

    Science.gov (United States)

    Varner, Victor D; Nelson, Celeste M

    2017-07-01

    The bronchial network of the mammalian lung consists of millions of dichotomous branches arranged in a highly complex, space-filling tree. Recent computational models of branching morphogenesis in the lung have helped uncover the biological mechanisms that construct this ramified architecture. In this review, we focus on three different theoretical approaches - geometric modeling, reaction-diffusion modeling, and continuum mechanical modeling - and discuss how, taken together, these models have identified the geometric principles necessary to build an efficient bronchial network, as well as the patterning mechanisms that specify airway geometry in the developing embryo. We emphasize models that are integrated with biological experiments and suggest how recent progress in computational modeling has advanced our understanding of airway branching morphogenesis. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Computational multiscale modeling of intergranular cracking

    International Nuclear Information System (INIS)

    Simonovski, Igor; Cizelj, Leon

    2011-01-01

    A novel computational approach for simulation of intergranular cracks in a polycrystalline aggregate is proposed in this paper. The computational model includes a topological model of the experimentally determined microstructure of a 400 μm diameter stainless steel wire and automatic finite element discretization of the grains and grain boundaries. The microstructure was spatially characterized by X-ray diffraction contrast tomography and contains 362 grains and some 1600 grain boundaries. Available constitutive models currently include isotropic elasticity for the grain interior and cohesive behavior with damage for the grain boundaries. The experimentally determined lattice orientations are employed to distinguish between resistant low energy and susceptible high energy grain boundaries in the model. The feasibility and performance of the proposed computational approach is demonstrated by simulating the onset and propagation of intergranular cracking. The preliminary numerical results are outlined and discussed.

  6. Modeling multimodal human-computer interaction

    NARCIS (Netherlands)

    Obrenovic, Z.; Starcevic, D.

    2004-01-01

    Incorporating the well-known Unified Modeling Language into a generic modeling framework makes research on multimodal human-computer interaction accessible to a wide range off software engineers. Multimodal interaction is part of everyday human discourse: We speak, move, gesture, and shift our gaze

  7. Generating Computational Models for Serious Gaming

    NARCIS (Netherlands)

    Westera, Wim

    2018-01-01

    Many serious games include computational models that simulate dynamic systems. These models promote enhanced interaction and responsiveness. Under the social web paradigm more and more usable game authoring tools become available that enable prosumers to create their own games, but the inclusion of

  8. Computer - based modeling in extract sciences research -III ...

    African Journals Online (AJOL)

    Molecular modeling techniques have been of great applicability in the study of the biological sciences and other exact science fields like agriculture, mathematics, computer science and the like. In this write up, a list of computer programs for predicting, for instance, the structure of proteins has been provided. Discussions on ...

  9. Light reflection models for computer graphics.

    Science.gov (United States)

    Greenberg, D P

    1989-04-14

    During the past 20 years, computer graphic techniques for simulating the reflection of light have progressed so that today images of photorealistic quality can be produced. Early algorithms considered direct lighting only, but global illumination phenomena with indirect lighting, surface interreflections, and shadows can now be modeled with ray tracing, radiosity, and Monte Carlo simulations. This article describes the historical development of computer graphic algorithms for light reflection and pictorially illustrates what will be commonly available in the near future.

  10. Do's and Don'ts of Computer Models for Planning

    Science.gov (United States)

    Hammond, John S., III

    1974-01-01

    Concentrates on the managerial issues involved in computer planning models. Describes what computer planning models are and the process by which managers can increase the likelihood of computer planning models being successful in their organizations. (Author/DN)

  11. Development and Study the Usage of Blended Learning Environment Model Using Engineering Design Concept Learning Activities to Computer Programming Courses for Undergraduate Students of Rajabhat Universities

    Directory of Open Access Journals (Sweden)

    Kasame Tritrakan

    2017-06-01

    Full Text Available The objectives of this research were to study and Synthesise the components, to develop, and to study the usage of blended learning environment model using engineering design concept learning activities to computer programming courses for undergraduate students of Rajabhat universities. The research methodology was divided into 3 phases. Phase I: surveying presents, needs and problems in teaching computer programming of 52 lecturers by using in-depth interview from 5 experienced lecturers. The model’s elements were evaluated by 5 experts. The tools were questionnaire, interview form, and model’s elements assessment form. Phase II: developing the model of blended learning environment and learning activities based on engineering design processes and confirming model by 8 experts. The tools were the draft of learning environment, courseware, and assessment forms. Phase III evaluating the effects of using the implemented environment. The samples were students which formed into 2 groups, 25 people in the experiment group and 27 people in the control group by cluster random sampling. The tools were learning environment, courseware, and assessment tools. The statistics used in this research were means, standard deviation, t-test dependent, and one-way MANOVA. The results found that: 1 Lecturers quite agreed with the physical, mental, social, and information learning environment, learning processes, and assessments. There were all needs in high level. However there were physical environment problems in high level yet quite low in other aspects. 2 The developed learning environment had 4 components which were a 4 types of environments b the inputs included blended learning environment, learning motivation factors, and computer programming content c the processes were analysis of state objectives, design learning environment and activities, developing learning environment and testing materials, implement, ation evaluation and evaluate, 4 the outputs

  12. Integrated multiscale modeling of molecular computing devices

    International Nuclear Information System (INIS)

    Cummings, Peter T; Leng Yongsheng

    2005-01-01

    Molecular electronics, in which single organic molecules are designed to perform the functions of transistors, diodes, switches and other circuit elements used in current siliconbased microelecronics, is drawing wide interest as a potential replacement technology for conventional silicon-based lithographically etched microelectronic devices. In addition to their nanoscopic scale, the additional advantage of molecular electronics devices compared to silicon-based lithographically etched devices is the promise of being able to produce them cheaply on an industrial scale using wet chemistry methods (i.e., self-assembly from solution). The design of molecular electronics devices, and the processes to make them on an industrial scale, will require a thorough theoretical understanding of the molecular and higher level processes involved. Hence, the development of modeling techniques for molecular electronics devices is a high priority from both a basic science point of view (to understand the experimental studies in this field) and from an applied nanotechnology (manufacturing) point of view. Modeling molecular electronics devices requires computational methods at all length scales - electronic structure methods for calculating electron transport through organic molecules bonded to inorganic surfaces, molecular simulation methods for determining the structure of self-assembled films of organic molecules on inorganic surfaces, mesoscale methods to understand and predict the formation of mesoscale patterns on surfaces (including interconnect architecture), and macroscopic scale methods (including finite element methods) for simulating the behavior of molecular electronic circuit elements in a larger integrated device. Here we describe a large Department of Energy project involving six universities and one national laboratory aimed at developing integrated multiscale methods for modeling molecular electronics devices. The project is funded equally by the Office of Basic

  13. Computational modeling of intraocular gas dynamics

    International Nuclear Information System (INIS)

    Noohi, P; Abdekhodaie, M J; Cheng, Y L

    2015-01-01

    The purpose of this study was to develop a computational model to simulate the dynamics of intraocular gas behavior in pneumatic retinopexy (PR) procedure. The presented model predicted intraocular gas volume at any time and determined the tolerance angle within which a patient can maneuver and still gas completely covers the tear(s). Computational fluid dynamics calculations were conducted to describe PR procedure. The geometrical model was constructed based on the rabbit and human eye dimensions. SF_6 in the form of pure and diluted with air was considered as the injected gas. The presented results indicated that the composition of the injected gas affected the gas absorption rate and gas volume. After injection of pure SF_6, the bubble expanded to 2.3 times of its initial volume during the first 23 h, but when diluted SF_6 was used, no significant expansion was observed. Also, head positioning for the treatment of retinal tear influenced the rate of gas absorption. Moreover, the determined tolerance angle depended on the bubble and tear size. More bubble expansion and smaller retinal tear caused greater tolerance angle. For example, after 23 h, for the tear size of 2 mm the tolerance angle of using pure SF_6 is 1.4 times more than that of using diluted SF_6 with 80% air. Composition of the injected gas and conditions of the tear in PR may dramatically affect the gas absorption rate and gas volume. Quantifying these effects helps to predict the tolerance angle and improve treatment efficiency. (paper)

  14. Knee rotation influences the femoral tunnel angle measurement after anterior cruciate ligament reconstruction: a 3-dimensional computed tomography model study

    Science.gov (United States)

    Tang, Jing; Thorhauer, Eric; Marsh, Chelsea; Fu, Freddie H.

    2013-01-01

    Purpose Femoral tunnel angle (FTA) has been proposed as a metric for evaluating whether ACL reconstruction was performed anatomically. In clinic, radiographic images are typically acquired with an uncertain amount of internal/external knee rotation. The extent to which knee rotation will influence FTA measurement is unclear. Furthermore, differences in FTA measurement between the two common positions (0° and 45° knee flexion) have not been established. The purpose of this study was to investigate the influence of knee rotation on FTA measurement after ACL reconstruction. Methods Knee CT data from 16 subjects were segmented to produce 3D bone models. Central axes of tunnels were identified. The 0° and 45° flexion angles were simulated. Knee internal/external rotations were simulated in a range of ±20°. FTA was defined as the angle between the tunnel axis and femoral shaft axis, orthogonally projected into the coronal plane. Results Femoral tunnel angle was positively/negatively correlated with knee rotation angle at 0°/45° knee flexion. At 0° knee flexion, FTA for anterio-medial (AM) tunnels was significantly decreased at 20° of external knee rotation. At 45° knee flexion, more than 16° external or 19° internal rotation significantly altered FTA measurements for single-bundle tunnels; smaller rotations (±9° for AM, ±5° for PL) created significant errors in FTA measurements after double-bundle reconstruction. Conclusion Femoral tunnel angle measurements were correlated with knee rotation. Relatively small imaging malalignment introduced significant errors with knee flexed 45°. This study supports using the 0° flexion position for knee radiographs to reduce errors in FTA measurement due to knee internal/external rotation. Level of evidence Case–control study, Level III. PMID:23589127

  15. The Architectural Designs of a Nanoscale Computing Model

    Directory of Open Access Journals (Sweden)

    Mary M. Eshaghian-Wilner

    2004-08-01

    Full Text Available A generic nanoscale computing model is presented in this paper. The model consists of a collection of fully interconnected nanoscale computing modules, where each module is a cube of cells made out of quantum dots, spins, or molecules. The cells dynamically switch between two states by quantum interactions among their neighbors in all three dimensions. This paper includes a brief introduction to the field of nanotechnology from a computing point of view and presents a set of preliminary architectural designs for fabricating the nanoscale model studied.

  16. Computational disease modeling – fact or fiction?

    Directory of Open Access Journals (Sweden)

    Stephan Klaas

    2009-06-01

    Full Text Available Abstract Background Biomedical research is changing due to the rapid accumulation of experimental data at an unprecedented scale, revealing increasing degrees of complexity of biological processes. Life Sciences are facing a transition from a descriptive to a mechanistic approach that reveals principles of cells, cellular networks, organs, and their interactions across several spatial and temporal scales. There are two conceptual traditions in biological computational-modeling. The bottom-up approach emphasizes complex intracellular molecular models and is well represented within the systems biology community. On the other hand, the physics-inspired top-down modeling strategy identifies and selects features of (presumably essential relevance to the phenomena of interest and combines available data in models of modest complexity. Results The workshop, "ESF Exploratory Workshop on Computational disease Modeling", examined the challenges that computational modeling faces in contributing to the understanding and treatment of complex multi-factorial diseases. Participants at the meeting agreed on two general conclusions. First, we identified the critical importance of developing analytical tools for dealing with model and parameter uncertainty. Second, the development of predictive hierarchical models spanning several scales beyond intracellular molecular networks was identified as a major objective. This contrasts with the current focus within the systems biology community on complex molecular modeling. Conclusion During the workshop it became obvious that diverse scientific modeling cultures (from computational neuroscience, theory, data-driven machine-learning approaches, agent-based modeling, network modeling and stochastic-molecular simulations would benefit from intense cross-talk on shared theoretical issues in order to make progress on clinically relevant problems.

  17. Studi Perbandingan Layanan Cloud Computing

    OpenAIRE

    Afdhal, Afdhal

    2013-01-01

    In the past few years, cloud computing has became a dominant topic in the IT area. Cloud computing offers hardware, infrastructure, platform and applications without requiring end-users knowledge of the physical location and the configuration of providers who deliver the services. It has been a good solution to increase reliability, reduce computing cost, and make opportunities to IT industries to get more advantages. The purpose of this article is to present a better understanding of cloud d...

  18. Parameter Sensitivity Study of the Unreacted-Core Shrinking Model: A Computer Activity for Chemical Reaction Engineering Courses

    Science.gov (United States)

    Tudela, Ignacio; Bonete, Pedro; Fullana, Andres; Conesa, Juan Antonio

    2011-01-01

    The unreacted-core shrinking (UCS) model is employed to characterize fluid-particle reactions that are important in industry and research. An approach to understand the UCS model by numerical methods is presented, which helps the visualization of the influence of the variables that control the overall heterogeneous process. Use of this approach in…

  19. Towards The Deep Model : Understanding Visual Recognition Through Computational Models

    OpenAIRE

    Wang, Panqu

    2017-01-01

    Understanding how visual recognition is achieved in the human brain is one of the most fundamental questions in vision research. In this thesis I seek to tackle this problem from a neurocomputational modeling perspective. More specifically, I build machine learning-based models to simulate and explain cognitive phenomena related to human visual recognition, and I improve computational models using brain-inspired principles to excel at computer vision tasks.I first describe how a neurocomputat...

  20. Hybrid computer modelling in plasma physics

    International Nuclear Information System (INIS)

    Hromadka, J; Ibehej, T; Hrach, R

    2016-01-01

    Our contribution is devoted to development of hybrid modelling techniques. We investigate sheath structures in the vicinity of solids immersed in low temperature argon plasma of different pressures by means of particle and fluid computer models. We discuss the differences in results obtained by these methods and try to propose a way to improve the results of fluid models in the low pressure area. There is a possibility to employ Chapman-Enskog method to find appropriate closure relations of fluid equations in a case when particle distribution function is not Maxwellian. We try to follow this way to enhance fluid model and to use it in hybrid plasma model further. (paper)

  1. Time series modeling, computation, and inference

    CERN Document Server

    Prado, Raquel

    2010-01-01

    The authors systematically develop a state-of-the-art analysis and modeling of time series. … this book is well organized and well written. The authors present various statistical models for engineers to solve problems in time series analysis. Readers no doubt will learn state-of-the-art techniques from this book.-Hsun-Hsien Chang, Computing Reviews, March 2012My favorite chapters were on dynamic linear models and vector AR and vector ARMA models.-William Seaver, Technometrics, August 2011… a very modern entry to the field of time-series modelling, with a rich reference list of the current lit

  2. The Effect of Computer Models as Formative Assessment on Student Understanding of the Nature of Models

    Science.gov (United States)

    Park, Mihwa; Liu, Xiufeng; Smith, Erica; Waight, Noemi

    2017-01-01

    This study reports the effect of computer models as formative assessment on high school students' understanding of the nature of models. Nine high school teachers integrated computer models and associated formative assessments into their yearlong high school chemistry course. A pre-test and post-test of students' understanding of the nature of…

  3. GRAVTool, a Package to Compute Geoid Model by Remove-Compute-Restore Technique

    Science.gov (United States)

    Marotta, G. S.; Blitzkow, D.; Vidotti, R. M.

    2015-12-01

    Currently, there are several methods to determine geoid models. They can be based on terrestrial gravity data, geopotential coefficients, astro-geodetic data or a combination of them. Among the techniques to compute a precise geoid model, the Remove-Compute-Restore (RCR) has been widely applied. It considers short, medium and long wavelengths derived from altitude data provided by Digital Terrain Models (DTM), terrestrial gravity data and global geopotential coefficients, respectively. In order to apply this technique, it is necessary to create procedures that compute gravity anomalies and geoid models, by the integration of different wavelengths, and that adjust these models to one local vertical datum. This research presents a developed package called GRAVTool based on MATLAB software to compute local geoid models by RCR technique and its application in a study area. The studied area comprehends the federal district of Brazil, with ~6000 km², wavy relief, heights varying from 600 m to 1340 m, located between the coordinates 48.25ºW, 15.45ºS and 47.33ºW, 16.06ºS. The results of the numerical example on the studied area show the local geoid model computed by the GRAVTool package (Figure), using 1377 terrestrial gravity data, SRTM data with 3 arc second of resolution, and geopotential coefficients of the EIGEN-6C4 model to degree 360. The accuracy of the computed model (σ = ± 0.071 m, RMS = 0.069 m, maximum = 0.178 m and minimum = -0.123 m) matches the uncertainty (σ =± 0.073) of 21 points randomly spaced where the geoid was computed by geometrical leveling technique supported by positioning GNSS. The results were also better than those achieved by Brazilian official regional geoid model (σ = ± 0.099 m, RMS = 0.208 m, maximum = 0.419 m and minimum = -0.040 m).

  4. Biomedical Imaging and Computational Modeling in Biomechanics

    CERN Document Server

    Iacoviello, Daniela

    2013-01-01

    This book collects the state-of-art and new trends in image analysis and biomechanics. It covers a wide field of scientific and cultural topics, ranging from remodeling of bone tissue under the mechanical stimulus up to optimizing the performance of sports equipment, through the patient-specific modeling in orthopedics, microtomography and its application in oral and implant research, computational modeling in the field of hip prostheses, image based model development and analysis of the human knee joint, kinematics of the hip joint, micro-scale analysis of compositional and mechanical properties of dentin, automated techniques for cervical cell image analysis, and iomedical imaging and computational modeling in cardiovascular disease.   The book will be of interest to researchers, Ph.D students, and graduate students with multidisciplinary interests related to image analysis and understanding, medical imaging, biomechanics, simulation and modeling, experimental analysis.

  5. Computational algebraic geometry of epidemic models

    Science.gov (United States)

    Rodríguez Vega, Martín.

    2014-06-01

    Computational Algebraic Geometry is applied to the analysis of various epidemic models for Schistosomiasis and Dengue, both, for the case without control measures and for the case where control measures are applied. The models were analyzed using the mathematical software Maple. Explicitly the analysis is performed using Groebner basis, Hilbert dimension and Hilbert polynomials. These computational tools are included automatically in Maple. Each of these models is represented by a system of ordinary differential equations, and for each model the basic reproductive number (R0) is calculated. The effects of the control measures are observed by the changes in the algebraic structure of R0, the changes in Groebner basis, the changes in Hilbert dimension, and the changes in Hilbert polynomials. It is hoped that the results obtained in this paper become of importance for designing control measures against the epidemic diseases described. For future researches it is proposed the use of algebraic epidemiology to analyze models for airborne and waterborne diseases.

  6. Preliminary Phase Field Computational Model Development

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yulan [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hu, Shenyang Y. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xu, Ke [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Suter, Jonathan D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); McCloy, John S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnson, Bradley R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Ramuhalli, Pradeep [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2014-12-15

    This interim report presents progress towards the development of meso-scale models of magnetic behavior that incorporate microstructural information. Modeling magnetic signatures in irradiated materials with complex microstructures (such as structural steels) is a significant challenge. The complexity is addressed incrementally, using the monocrystalline Fe (i.e., ferrite) film as model systems to develop and validate initial models, followed by polycrystalline Fe films, and by more complicated and representative alloys. In addition, the modeling incrementally addresses inclusion of other major phases (e.g., martensite, austenite), minor magnetic phases (e.g., carbides, FeCr precipitates), and minor nonmagnetic phases (e.g., Cu precipitates, voids). The focus of the magnetic modeling is on phase-field models. The models are based on the numerical solution to the Landau-Lifshitz-Gilbert equation. From the computational standpoint, phase-field modeling allows the simulation of large enough systems that relevant defect structures and their effects on functional properties like magnetism can be simulated. To date, two phase-field models have been generated in support of this work. First, a bulk iron model with periodic boundary conditions was generated as a proof-of-concept to investigate major loop effects of single versus polycrystalline bulk iron and effects of single non-magnetic defects. More recently, to support the experimental program herein using iron thin films, a new model was generated that uses finite boundary conditions representing surfaces and edges. This model has provided key insights into the domain structures observed in magnetic force microscopy (MFM) measurements. Simulation results for single crystal thin-film iron indicate the feasibility of the model for determining magnetic domain wall thickness and mobility in an externally applied field. Because the phase-field model dimensions are limited relative to the size of most specimens used in

  7. On several computer-oriented studies

    International Nuclear Information System (INIS)

    Takahashi, Ryoichi

    1982-01-01

    To utilize fully digital techniques for solving various difficult problems, nuclear engineers have recourse to computer-oriented approaches. The current trend, in such fields as optimization theory, control system theory and computational fluid dynamics reflect the ability to use computers to obtain numerical solutions to complex problems. Special purpose computers will be used as the integral part of the solving system to process a large amount of data, to implement a control law and even to produce a decision-making. Many problem-solving systems designed in the future will incorporate special-purpose computers as system component. The optimum use of computer system is discussed: why are energy model, energy data base and a big computer used; why will the economic process-computer be allocated to nuclear plants in the future; why should the super-computer be demonstrated at once. (Mori, K.)

  8. Computer modeling of commercial refrigerated warehouse facilities

    International Nuclear Information System (INIS)

    Nicoulin, C.V.; Jacobs, P.C.; Tory, S.

    1997-01-01

    The use of computer models to simulate the energy performance of large commercial refrigeration systems typically found in food processing facilities is an area of engineering practice that has seen little development to date. Current techniques employed in predicting energy consumption by such systems have focused on temperature bin methods of analysis. Existing simulation tools such as DOE2 are designed to model commercial buildings and grocery store refrigeration systems. The HVAC and Refrigeration system performance models in these simulations tools model equipment common to commercial buildings and groceries, and respond to energy-efficiency measures likely to be applied to these building types. The applicability of traditional building energy simulation tools to model refrigerated warehouse performance and analyze energy-saving options is limited. The paper will present the results of modeling work undertaken to evaluate energy savings resulting from incentives offered by a California utility to its Refrigerated Warehouse Program participants. The TRNSYS general-purpose transient simulation model was used to predict facility performance and estimate program savings. Custom TRNSYS components were developed to address modeling issues specific to refrigerated warehouse systems, including warehouse loading door infiltration calculations, an evaporator model, single-state and multi-stage compressor models, evaporative condenser models, and defrost energy requirements. The main focus of the paper will be on the modeling approach. The results from the computer simulations, along with overall program impact evaluation results, will also be presented

  9. Computational and Organotypic Modeling of Microcephaly ...

    Science.gov (United States)

    Microcephaly is associated with reduced cortical surface area and ventricular dilations. Many genetic and environmental factors precipitate this malformation, including prenatal alcohol exposure and maternal Zika infection. This complexity motivates the engineering of computational and experimental models to probe the underlying molecular targets, cellular consequences, and biological processes. We describe an Adverse Outcome Pathway (AOP) framework for microcephaly derived from literature on all gene-, chemical-, or viral- effects and brain development. Overlap with NTDs is likely, although the AOP connections identified here focused on microcephaly as the adverse outcome. A query of the Mammalian Phenotype Browser database for ‘microcephaly’ (MP:0000433) returned 85 gene associations; several function in microtubule assembly and centrosome cycle regulated by (microcephalin, MCPH1), a gene for primary microcephaly in humans. The developing ventricular zone is the likely target. In this zone, neuroprogenitor cells (NPCs) self-replicate during the 1st trimester setting brain size, followed by neural differentiation of the neocortex. Recent studies with human NPCs confirmed infectivity with Zika virions invoking critical cell loss (apoptosis) of precursor NPCs; similar findings have been shown with fetal alcohol or methylmercury exposure in rodent studies, leading to mathematical models of NPC dynamics in size determination of the ventricular zone. A key event

  10. Blending Study For SRR Salt Disposition Integration: Tank 50H Scale-Modeling And Computer-Modeling For Blending Pump Design, Phase 2

    International Nuclear Information System (INIS)

    Leishear, R.; Poirier, M.; Fowley, M.

    2011-01-01

    The Salt Disposition Integration (SDI) portfolio of projects provides the infrastructure within existing Liquid Waste facilities to support the startup and long term operation of the Salt Waste Processing Facility (SWPF). Within SDI, the Blend and Feed Project will equip existing waste tanks in the Tank Farms to serve as Blend Tanks where 300,000-800,000 gallons of salt solution will be blended in 1.3 million gallon tanks and qualified for use as feedstock for SWPF. Blending requires the miscible salt solutions from potentially multiple source tanks per batch to be well mixed without disturbing settled sludge solids that may be present in a Blend Tank. Disturbing solids may be problematic both from a feed quality perspective as well as from a process safety perspective where hydrogen release from the sludge is a potential flammability concern. To develop the necessary technical basis for the design and operation of blending equipment, Savannah River National Laboratory (SRNL) completed scaled blending and transfer pump tests and computational fluid dynamics (CFD) modeling. A 94 inch diameter pilot-scale blending tank, including tank internals such as the blending pump, transfer pump, removable cooling coils, and center column, were used in this research. The test tank represents a 1/10.85 scaled version of an 85 foot diameter, Type IIIA, nuclear waste tank that may be typical of Blend Tanks used in SDI. Specifically, Tank 50 was selected as the tank to be modeled per the SRR, Project Engineering Manager. SRNL blending tests investigated various fixed position, non-rotating, dual nozzle pump designs, including a blending pump model provided by the blend pump vendor, Curtiss Wright (CW). Primary research goals were to assess blending times and to evaluate incipient sludge disturbance for waste tanks. Incipient sludge disturbance was defined by SRR and SRNL as minor blending of settled sludge from the tank bottom into suspension due to blending pump operation, where

  11. BLENDING STUDY FOR SRR SALT DISPOSITION INTEGRATION: TANK 50H SCALE-MODELING AND COMPUTER-MODELING FOR BLENDING PUMP DESIGN, PHASE 2

    Energy Technology Data Exchange (ETDEWEB)

    Leishear, R.; Poirier, M.; Fowley, M.

    2011-05-26

    The Salt Disposition Integration (SDI) portfolio of projects provides the infrastructure within existing Liquid Waste facilities to support the startup and long term operation of the Salt Waste Processing Facility (SWPF). Within SDI, the Blend and Feed Project will equip existing waste tanks in the Tank Farms to serve as Blend Tanks where 300,000-800,000 gallons of salt solution will be blended in 1.3 million gallon tanks and qualified for use as feedstock for SWPF. Blending requires the miscible salt solutions from potentially multiple source tanks per batch to be well mixed without disturbing settled sludge solids that may be present in a Blend Tank. Disturbing solids may be problematic both from a feed quality perspective as well as from a process safety perspective where hydrogen release from the sludge is a potential flammability concern. To develop the necessary technical basis for the design and operation of blending equipment, Savannah River National Laboratory (SRNL) completed scaled blending and transfer pump tests and computational fluid dynamics (CFD) modeling. A 94 inch diameter pilot-scale blending tank, including tank internals such as the blending pump, transfer pump, removable cooling coils, and center column, were used in this research. The test tank represents a 1/10.85 scaled version of an 85 foot diameter, Type IIIA, nuclear waste tank that may be typical of Blend Tanks used in SDI. Specifically, Tank 50 was selected as the tank to be modeled per the SRR, Project Engineering Manager. SRNL blending tests investigated various fixed position, non-rotating, dual nozzle pump designs, including a blending pump model provided by the blend pump vendor, Curtiss Wright (CW). Primary research goals were to assess blending times and to evaluate incipient sludge disturbance for waste tanks. Incipient sludge disturbance was defined by SRR and SRNL as minor blending of settled sludge from the tank bottom into suspension due to blending pump operation, where

  12. Applied Mathematics, Modelling and Computational Science

    CERN Document Server

    Kotsireas, Ilias; Makarov, Roman; Melnik, Roderick; Shodiev, Hasan

    2015-01-01

    The Applied Mathematics, Modelling, and Computational Science (AMMCS) conference aims to promote interdisciplinary research and collaboration. The contributions in this volume cover the latest research in mathematical and computational sciences, modeling, and simulation as well as their applications in natural and social sciences, engineering and technology, industry, and finance. The 2013 conference, the second in a series of AMMCS meetings, was held August 26–30 and organized in cooperation with AIMS and SIAM, with support from the Fields Institute in Toronto, and Wilfrid Laurier University. There were many young scientists at AMMCS-2013, both as presenters and as organizers. This proceedings contains refereed papers contributed by the participants of the AMMCS-2013 after the conference. This volume is suitable for researchers and graduate students, mathematicians and engineers, industrialists, and anyone who would like to delve into the interdisciplinary research of applied and computational mathematics ...

  13. Description of mathematical models and computer programs

    International Nuclear Information System (INIS)

    1977-01-01

    The paper gives a description of mathematical models and computer programs for analysing possible strategies for spent fuel management, with emphasis on economic analysis. The computer programs developed, describe the material flows, facility construction schedules, capital investment schedules and operating costs for the facilities used in managing the spent fuel. The computer programs use a combination of simulation and optimization procedures for the economic analyses. Many of the fuel cycle steps (such as spent fuel discharges, storage at the reactor, and transport to the RFCC) are described in physical and economic terms through simulation modeling, while others (such as reprocessing plant size and commissioning schedules, interim storage facility commissioning schedules etc.) are subjected to economic optimization procedures to determine the approximate lowest-cost plans from among the available feasible alternatives

  14. Computational and Game-Theoretic Approaches for Modeling Bounded Rationality

    NARCIS (Netherlands)

    L. Waltman (Ludo)

    2011-01-01

    textabstractThis thesis studies various computational and game-theoretic approaches to economic modeling. Unlike traditional approaches to economic modeling, the approaches studied in this thesis do not rely on the assumption that economic agents behave in a fully rational way. Instead, economic

  15. Modeling inputs to computer models used in risk assessment

    International Nuclear Information System (INIS)

    Iman, R.L.

    1987-01-01

    Computer models for various risk assessment applications are closely scrutinized both from the standpoint of questioning the correctness of the underlying mathematical model with respect to the process it is attempting to model and from the standpoint of verifying that the computer model correctly implements the underlying mathematical model. A process that receives less scrutiny, but is nonetheless of equal importance, concerns the individual and joint modeling of the inputs. This modeling effort clearly has a great impact on the credibility of results. Model characteristics are reviewed in this paper that have a direct bearing on the model input process and reasons are given for using probabilities-based modeling with the inputs. The authors also present ways to model distributions for individual inputs and multivariate input structures when dependence and other constraints may be present

  16. Five-Year-Olds’ Systematic Errors in Second-Order False Belief Tasks Are Due to First-Order Theory of Mind Strategy Selection: A Computational Modeling Study

    Science.gov (United States)

    Arslan, Burcu; Taatgen, Niels A.; Verbrugge, Rineke

    2017-01-01

    The focus of studies on second-order false belief reasoning generally was on investigating the roles of executive functions and language with correlational studies. Different from those studies, we focus on the question how 5-year-olds select and revise reasoning strategies in second-order false belief tasks by constructing two computational cognitive models of this process: an instance-based learning model and a reinforcement learning model. Unlike the reinforcement learning model, the instance-based learning model predicted that children who fail second-order false belief tasks would give answers based on first-order theory of mind (ToM) reasoning as opposed to zero-order reasoning. This prediction was confirmed with an empirical study that we conducted with 72 5- to 6-year-old children. The results showed that 17% of the answers were correct and 83% of the answers were wrong. In line with our prediction, 65% of the wrong answers were based on a first-order ToM strategy, while only 29% of them were based on a zero-order strategy (the remaining 6% of subjects did not provide any answer). Based on our instance-based learning model, we propose that when children get feedback “Wrong,” they explicitly revise their strategy to a higher level instead of implicitly selecting one of the available ToM strategies. Moreover, we predict that children’s failures are due to lack of experience and that with exposure to second-order false belief reasoning, children can revise their wrong first-order reasoning strategy to a correct second-order reasoning strategy. PMID:28293206

  17. Five-Year-Olds' Systematic Errors in Second-Order False Belief Tasks Are Due to First-Order Theory of Mind Strategy Selection: A Computational Modeling Study.

    Science.gov (United States)

    Arslan, Burcu; Taatgen, Niels A; Verbrugge, Rineke

    2017-01-01

    The focus of studies on second-order false belief reasoning generally was on investigating the roles of executive functions and language with correlational studies. Different from those studies, we focus on the question how 5-year-olds select and revise reasoning strategies in second-order false belief tasks by constructing two computational cognitive models of this process: an instance-based learning model and a reinforcement learning model. Unlike the reinforcement learning model, the instance-based learning model predicted that children who fail second-order false belief tasks would give answers based on first-order theory of mind (ToM) reasoning as opposed to zero-order reasoning. This prediction was confirmed with an empirical study that we conducted with 72 5- to 6-year-old children. The results showed that 17% of the answers were correct and 83% of the answers were wrong. In line with our prediction, 65% of the wrong answers were based on a first-order ToM strategy, while only 29% of them were based on a zero-order strategy (the remaining 6% of subjects did not provide any answer). Based on our instance-based learning model, we propose that when children get feedback "Wrong," they explicitly revise their strategy to a higher level instead of implicitly selecting one of the available ToM strategies. Moreover, we predict that children's failures are due to lack of experience and that with exposure to second-order false belief reasoning, children can revise their wrong first-order reasoning strategy to a correct second-order reasoning strategy.

  18. Reproducibility of image quality for moving objects using respiratory-gated computed tomography. A study using a phantom model

    International Nuclear Information System (INIS)

    Fukumitsu, Nobuyoshi; Ishida, Masaya; Terunuma, Toshiyuki

    2012-01-01

    To investigate the reproducibility of computed tomography (CT) imaging quality in respiratory-gated radiation treatment planning is essential in radiotherapy of movable tumors. Seven series of regular and six series of irregular respiratory motions were performed using a thorax dynamic phantom. For the regular respiratory motions, the respiratory cycle was changed from 2.5 to 4 s and the amplitude was changed from 4 to 10 mm. For the irregular respiratory motions, a cycle of 2.5 to 4 or an amplitude of 4 to 10 mm was added to the base data (id est (i.e.) 3.5-s cycle, 6-mm amplitude) every three cycles. Images of the object were acquired six times using respiratory-gated data acquisition. The volume of the object was calculated and the reproducibility of the volume was decided based on the variety. The registered image of the object was added and the reproducibility of the shape was decided based on the degree of overlap of objects. The variety in the volumes and shapes differed significantly as the respiratory cycle changed according to regular respiratory motions. In irregular respiratory motion, shape reproducibility was further inferior, and the percentage of overlap among the six images was 35.26% in the 2.5- and 3.5-s cycle mixed group. Amplitude changes did not produce significant differences in the variety of the volumes and shapes. Respiratory cycle changes reduced the reproducibility of the image quality in respiratory-gated CT. (author)

  19. Computer Modelling of Photochemical Smog Formation

    Science.gov (United States)

    Huebert, Barry J.

    1974-01-01

    Discusses a computer program that has been used in environmental chemistry courses as an example of modelling as a vehicle for teaching chemical dynamics, and as a demonstration of some of the factors which affect the production of smog. (Author/GS)

  20. A Computational Model of Fraction Arithmetic

    Science.gov (United States)

    Braithwaite, David W.; Pyke, Aryn A.; Siegler, Robert S.

    2017-01-01

    Many children fail to master fraction arithmetic even after years of instruction, a failure that hinders their learning of more advanced mathematics as well as their occupational success. To test hypotheses about why children have so many difficulties in this area, we created a computational model of fraction arithmetic learning and presented it…

  1. Model Checking - Automated Verification of Computational Systems

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 14; Issue 7. Model Checking - Automated Verification of Computational Systems. Madhavan Mukund. General Article Volume 14 Issue 7 July 2009 pp 667-681. Fulltext. Click here to view fulltext PDF. Permanent link:

  2. Computational Modeling of Complex Protein Activity Networks

    NARCIS (Netherlands)

    Schivo, Stefano; Leijten, Jeroen; Karperien, Marcel; Post, Janine N.; Prignet, Claude

    2017-01-01

    Because of the numerous entities interacting, the complexity of the networks that regulate cell fate makes it impossible to analyze and understand them using the human brain alone. Computational modeling is a powerful method to unravel complex systems. We recently described the development of a

  3. Computer Modeling of Platinum Reforming Reactors | Momoh ...

    African Journals Online (AJOL)

    This paper, instead of using a theoretical approach has considered a computer model as means of assessing the reformate composition for three-stage fixed bed reactors in platforming unit. This is done by identifying many possible hydrocarbon transformation reactions that are peculiar to the process unit, identify the ...

  4. Particle modeling of plasmas computational plasma physics

    International Nuclear Information System (INIS)

    Dawson, J.M.

    1991-01-01

    Recently, through the development of supercomputers, a powerful new method for exploring plasmas has emerged; it is computer modeling of plasmas. Such modeling can duplicate many of the complex processes that go on in a plasma and allow scientists to understand what the important processes are. It helps scientists gain an intuition about this complex state of matter. It allows scientists and engineers to explore new ideas on how to use plasma before building costly experiments; it allows them to determine if they are on the right track. It can duplicate the operation of devices and thus reduce the need to build complex and expensive devices for research and development. This is an exciting new endeavor that is in its infancy, but which can play an important role in the scientific and technological competitiveness of the US. There are a wide range of plasma models that are in use. There are particle models, fluid models, hybrid particle fluid models. These can come in many forms, such as explicit models, implicit models, reduced dimensional models, electrostatic models, magnetostatic models, electromagnetic models, and almost an endless variety of other models. Here the author will only discuss particle models. He will give a few examples of the use of such models; these will be taken from work done by the Plasma Modeling Group at UCLA because he is most familiar with work. However, it only gives a small view of the wide range of work being done around the US, or for that matter around the world

  5. Reproducibility in Computational Neuroscience Models and Simulations

    Science.gov (United States)

    McDougal, Robert A.; Bulanova, Anna S.; Lytton, William W.

    2016-01-01

    Objective Like all scientific research, computational neuroscience research must be reproducible. Big data science, including simulation research, cannot depend exclusively on journal articles as the method to provide the sharing and transparency required for reproducibility. Methods Ensuring model reproducibility requires the use of multiple standard software practices and tools, including version control, strong commenting and documentation, and code modularity. Results Building on these standard practices, model sharing sites and tools have been developed that fit into several categories: 1. standardized neural simulators, 2. shared computational resources, 3. declarative model descriptors, ontologies and standardized annotations; 4. model sharing repositories and sharing standards. Conclusion A number of complementary innovations have been proposed to enhance sharing, transparency and reproducibility. The individual user can be encouraged to make use of version control, commenting, documentation and modularity in development of models. The community can help by requiring model sharing as a condition of publication and funding. Significance Model management will become increasingly important as multiscale models become larger, more detailed and correspondingly more difficult to manage by any single investigator or single laboratory. Additional big data management complexity will come as the models become more useful in interpreting experiments, thus increasing the need to ensure clear alignment between modeling data, both parameters and results, and experiment. PMID:27046845

  6. Applied modelling and computing in social science

    CERN Document Server

    Povh, Janez

    2015-01-01

    In social science outstanding results are yielded by advanced simulation methods, based on state of the art software technologies and an appropriate combination of qualitative and quantitative methods. This book presents examples of successful applications of modelling and computing in social science: business and logistic process simulation and optimization, deeper knowledge extractions from big data, better understanding and predicting of social behaviour and modelling health and environment changes.

  7. COGMIR: A computer model for knowledge integration

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Z.X.

    1988-01-01

    This dissertation explores some aspects of knowledge integration, namely, accumulation of scientific knowledge and performing analogical reasoning on the acquired knowledge. Knowledge to be integrated is conveyed by paragraph-like pieces referred to as documents. By incorporating some results from cognitive science, the Deutsch-Kraft model of information retrieval is extended to a model for knowledge engineering, which integrates acquired knowledge and performs intelligent retrieval. The resulting computer model is termed COGMIR, which stands for a COGnitive Model for Intelligent Retrieval. A scheme, named query invoked memory reorganization, is used in COGMIR for knowledge integration. Unlike some other schemes which realize knowledge integration through subjective understanding by representing new knowledge in terms of existing knowledge, the proposed scheme suggests at storage time only recording the possible connection of knowledge acquired from different documents. The actual binding of the knowledge acquired from different documents is deferred to query time. There is only one way to store knowledge and numerous ways to utilize the knowledge. Each document can be represented as a whole as well as its meaning. In addition, since facts are constructed from the documents, document retrieval and fact retrieval are treated in a unified way. When the requested knowledge is not available, query invoked memory reorganization can generate suggestion based on available knowledge through analogical reasoning. This is done by revising the algorithms developed for document retrieval and fact retrieval, and by incorporating Gentner's structure mapping theory. Analogical reasoning is treated as a natural extension of intelligent retrieval, so that two previously separate research areas are combined. A case study is provided. All the components are implemented as list structures similar to relational data-bases.

  8. Computer modeling of the Cabriolet Event

    International Nuclear Information System (INIS)

    Kamegai, M.

    1979-01-01

    Computer modeling techniques are described for calculating the results of underground nuclear explosions at depths shallow enough to produce cratering. The techniques are applied to the Cabriolet Event, a well-documented nuclear excavation experiment, and the calculations give good agreement with the experimental results. It is concluded that, given data obtainable by outside observers, these modeling techniques are capable of verifying the yield and depth of underground nuclear cratering explosions, and that they could thus be useful in monitoring another country's compliance with treaty agreements on nuclear testing limitations. Several important facts emerge from the study: (1) seismic energy is produced by only a fraction of the nuclear yield, a fraction depending strongly on the depth of shot and the mechanical properties of the surrounding rock; (2) temperature of the vented gas can be predicted accurately only if good equations of state are available for the rock in the detonation zone; and (3) temperature of the vented gas is strongly dependent on the cooling effect, before venting, of mixing with melted rock in the expanding cavity and, to a lesser extent, on the cooling effect of water in the rock

  9. AIR INGRESS ANALYSIS: COMPUTATIONAL FLUID DYNAMIC MODELS

    Energy Technology Data Exchange (ETDEWEB)

    Chang H. Oh; Eung S. Kim; Richard Schultz; Hans Gougar; David Petti; Hyung S. Kang

    2010-08-01

    The Idaho National Laboratory (INL), under the auspices of the U.S. Department of Energy, is performing research and development that focuses on key phenomena important during potential scenarios that may occur in very high temperature reactors (VHTRs). Phenomena Identification and Ranking Studies to date have ranked an air ingress event, following on the heels of a VHTR depressurization, as important with regard to core safety. Consequently, the development of advanced air ingress-related models and verification and validation data are a very high priority. Following a loss of coolant and system depressurization incident, air will enter the core of the High Temperature Gas Cooled Reactor through the break, possibly causing oxidation of the in-the core and reflector graphite structure. Simple core and plant models indicate that, under certain circumstances, the oxidation may proceed at an elevated rate with additional heat generated from the oxidation reaction itself. Under postulated conditions of fluid flow and temperature, excessive degradation of the lower plenum graphite can lead to a loss of structural support. Excessive oxidation of core graphite can also lead to the release of fission products into the confinement, which could be detrimental to a reactor safety. Computational fluid dynamic model developed in this study will improve our understanding of this phenomenon. This paper presents two-dimensional and three-dimensional CFD results for the quantitative assessment of the air ingress phenomena. A portion of results of the density-driven stratified flow in the inlet pipe will be compared with results of the experimental results.

  10. A Computational Analysis Model for Open-ended Cognitions

    Science.gov (United States)

    Morita, Junya; Miwa, Kazuhisa

    In this paper, we propose a novel usage for computational cognitive models. In cognitive science, computational models have played a critical role of theories for human cognitions. Many computational models have simulated results of controlled psychological experiments successfully. However, there have been only a few attempts to apply the models to complex realistic phenomena. We call such a situation ``open-ended situation''. In this study, MAC/FAC (``many are called, but few are chosen''), proposed by [Forbus 95], that models two stages of analogical reasoning was applied to our open-ended psychological experiment. In our experiment, subjects were presented a cue story, and retrieved cases that had been learned in their everyday life. Following this, they rated inferential soundness (goodness as analogy) of each retrieved case. For each retrieved case, we computed two kinds of similarity scores (content vectors/structural evaluation scores) using the algorithms of the MAC/FAC. As a result, the computed content vectors explained the overall retrieval of cases well, whereas the structural evaluation scores had a strong relation to the rated scores. These results support the MAC/FAC's theoretical assumption - different similarities are involved on the two stages of analogical reasoning. Our study is an attempt to use a computational model as an analysis device for open-ended human cognitions.

  11. Product Costing in FMT: Comparing Deterministic and Stochastic Models Using Computer-Based Simulation for an Actual Case Study

    DEFF Research Database (Denmark)

    Nielsen, Steen

    2000-01-01

    This paper expands the traditional product costing technique be including a stochastic form in a complex production process for product costing. The stochastic phenomenon in flesbile manufacturing technologies is seen as an important phenomenon that companies try to decreas og eliminate. DFM has...... been used for evaluating the appropriateness of the firm's production capability. In this paper a simulation model is developed to analyze the relevant cost behaviour with respect to DFM and to develop a more streamlined process in the layout of the manufacturing process....

  12. Grid computing in large pharmaceutical molecular modeling.

    Science.gov (United States)

    Claus, Brian L; Johnson, Stephen R

    2008-07-01

    Most major pharmaceutical companies have employed grid computing to expand their compute resources with the intention of minimizing additional financial expenditure. Historically, one of the issues restricting widespread utilization of the grid resources in molecular modeling is the limited set of suitable applications amenable to coarse-grained parallelization. Recent advances in grid infrastructure technology coupled with advances in application research and redesign will enable fine-grained parallel problems, such as quantum mechanics and molecular dynamics, which were previously inaccessible to the grid environment. This will enable new science as well as increase resource flexibility to load balance and schedule existing workloads.

  13. Attacker Modelling in Ubiquitous Computing Systems

    DEFF Research Database (Denmark)

    Papini, Davide

    in with our everyday life. This future is visible to everyone nowadays: terms like smartphone, cloud, sensor, network etc. are widely known and used in our everyday life. But what about the security of such systems. Ubiquitous computing devices can be limited in terms of energy, computing power and memory...... attacker remain somehow undened and still under extensive investigation. This Thesis explores the nature of the ubiquitous attacker with a focus on how she interacts with the physical world and it denes a model that captures the abilities of the attacker. Furthermore a quantitative implementation...

  14. Climate models on massively parallel computers

    International Nuclear Information System (INIS)

    Vitart, F.; Rouvillois, P.

    1993-01-01

    First results got on massively parallel computers (Multiple Instruction Multiple Data and Simple Instruction Multiple Data) allow to consider building of coupled models with high resolutions. This would make possible simulation of thermoaline circulation and other interaction phenomena between atmosphere and ocean. The increasing of computers powers, and then the improvement of resolution will go us to revise our approximations. Then hydrostatic approximation (in ocean circulation) will not be valid when the grid mesh will be of a dimension lower than a few kilometers: We shall have to find other models. The expert appraisement got in numerical analysis at the Center of Limeil-Valenton (CEL-V) will be used again to imagine global models taking in account atmosphere, ocean, ice floe and biosphere, allowing climate simulation until a regional scale

  15. Rough – Granular Computing knowledge discovery models

    Directory of Open Access Journals (Sweden)

    Mohammed M. Eissa

    2016-11-01

    Full Text Available Medical domain has become one of the most important areas of research in order to richness huge amounts of medical information about the symptoms of diseases and how to distinguish between them to diagnose it correctly. Knowledge discovery models play vital role in refinement and mining of medical indicators to help medical experts to settle treatment decisions. This paper introduces four hybrid Rough – Granular Computing knowledge discovery models based on Rough Sets Theory, Artificial Neural Networks, Genetic Algorithm and Rough Mereology Theory. A comparative analysis of various knowledge discovery models that use different knowledge discovery techniques for data pre-processing, reduction, and data mining supports medical experts to extract the main medical indicators, to reduce the misdiagnosis rates and to improve decision-making for medical diagnosis and treatment. The proposed models utilized two medical datasets: Coronary Heart Disease dataset and Hepatitis C Virus dataset. The main purpose of this paper was to explore and evaluate the proposed models based on Granular Computing methodology for knowledge extraction according to different evaluation criteria for classification of medical datasets. Another purpose is to make enhancement in the frame of KDD processes for supervised learning using Granular Computing methodology.

  16. 40 CFR 194.23 - Models and computer codes.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Models and computer codes. 194.23... General Requirements § 194.23 Models and computer codes. (a) Any compliance application shall include: (1... obtain stable solutions; (iv) Computer models accurately implement the numerical models; i.e., computer...

  17. Model Infrastruktur dan Manajemen Platform Server Berbasis Cloud Computing

    Directory of Open Access Journals (Sweden)

    Mulki Indana Zulfa

    2017-11-01

    Full Text Available Cloud computing is a new technology that is still very rapidly growing. This technology makes the Internet as the main media for the management of data and applications remotely. Cloud computing allows users to run an application without having to think about infrastructure and its platforms. Other technical aspects such as memory, storage, backup and restore, can be done very easily. This research is intended to modeling the infrastructure and management of computer platform in computer network of Faculty of Engineering, University of Jenderal Soedirman. The first stage in this research is literature study, by finding out the implementation model in previous research. Then the result will be combined with a new approach to existing resources and try to implement directly on the existing server network. The results showed that the implementation of cloud computing technology is able to replace the existing platform network.

  18. A Computer Program for Practical Semivariogram Modeling and Ordinary Kriging: A Case Study of Porosity Distribution in an Oil Field

    Directory of Open Access Journals (Sweden)

    Mert Bayram Ali

    2017-12-01

    Full Text Available In this study, firstly, a practical and educational geostatistical program (JeoStat was developed, and then example analysis of porosity parameter distribution, using oilfield data, was presented.

  19. The development of hand-centred visual representations in the primate brain: a computer modelling study using natural visual scenes.

    Directory of Open Access Journals (Sweden)

    Juan Manuel Galeazzi

    2015-12-01

    Full Text Available Neurons that respond to visual targets in a hand-centred frame of reference have been found within various areas of the primate brain. We investigate how hand-centred visual representations may develop in a neural network model of the primate visual system called VisNet, when the model is trained on images of the hand seen against natural visual scenes. The simulations show how such neurons may develop through a biologically plausible process of unsupervised competitive learning and self-organisation. In an advance on our previous work, the visual scenes consisted of multiple targets presented simultaneously with respect to the hand. Three experiments are presented. First, VisNet was trained with computerized images consisting of a realistic image of a hand and and a variety of natural objects, presented in different textured backgrounds during training. The network was then tested with just one textured object near the hand in order to verify if the output cells were capable of building hand-centered representations with a single localised receptive field. We explain the underlying principles of the statistical decoupling that allows the output cells of the network to develop single localised receptive fields even when the network is trained with multiple objects. In a second simulation we examined how some of the cells with hand-centred receptive fields decreased their shape selectivity and started responding to a localised region of hand-centred space as the number of objects presented in overlapping locations during training increases. Lastly, we explored the same learning principles training the network with natural visual scenes collected by volunteers. These results provide an important step in showing how single, localised, hand-centered receptive fields could emerge under more ecologically realistic visual training conditions.

  20. The role of the circle of Willis in internal carotid artery stenosis and anatomical variations: a computational study based on a patient-specific three-dimensional model.

    Science.gov (United States)

    Zhu, Guangyu; Yuan, Qi; Yang, Jian; Yeo, Joon Hock

    2015-11-25

    The aim of this study is to provide better insights into the cerebral perfusion patterns and collateral mechanism of the circle of Willis (CoW) under anatomical and pathological variations. In the current study, a patient-specific three-dimensional computational model of the CoW was reconstructed based on the computed tomography (CT) images. The Carreau model was applied to simulate the non-Newtonian property of blood. Flow distributions in five common anatomical variations coexisting with different degrees of stenosis in the right internal carotid artery (RICA) were investigated to obtain detailed flow information. With the development of stenosis in unilateral internal carotid artery (ICA), the cerebral blood supply decreased when the degree of stenosis increased. The blood supply of the ipsilateral middle cerebral artery (MCA) was most affected by the stenosis of ICA. The anterior communicating artery (ACoA) and ipsilateral posterior communicating artery (PCoA) functioned as the important collateral circulation channels when unilateral stenosis occurred. The blood flow of the anterior circulation and the total cerebral blood flow (CBF) reached to the minimum in the configuration of the contralateral proximal anterior cerebral artery (A1) absence coexisting with unilateral ICA stenosis. Communicating arteries provided important collateral channels in the complete CoW when stenosis in unilateral ICA occurred. The cross-flow in the ACoA is a sensitive indicator of the morphological change of the ICA. The collateral function of the PCoA on the affected side will not be fully activated until a severe stenosis occurred in unilateral ICA. The absence of unilateral A1 coexisting with the stenosis in the contralateral ICA could be the most dangerous configuration in terms of the total cerebral blood supply. The findings of this study would enhance the understanding of the collateral mechanism of the CoW under different anatomical variations.

  1. Computational Aerodynamic Modeling of Small Quadcopter Vehicles

    Science.gov (United States)

    Yoon, Seokkwan; Ventura Diaz, Patricia; Boyd, D. Douglas; Chan, William M.; Theodore, Colin R.

    2017-01-01

    High-fidelity computational simulations have been performed which focus on rotor-fuselage and rotor-rotor aerodynamic interactions of small quad-rotor vehicle systems. The three-dimensional unsteady Navier-Stokes equations are solved on overset grids using high-order accurate schemes, dual-time stepping, low Mach number preconditioning, and hybrid turbulence modeling. Computational results for isolated rotors are shown to compare well with available experimental data. Computational results in hover reveal the differences between a conventional configuration where the rotors are mounted above the fuselage and an unconventional configuration where the rotors are mounted below the fuselage. Complex flow physics in forward flight is investigated. The goal of this work is to demonstrate that understanding of interactional aerodynamics can be an important factor in design decisions regarding rotor and fuselage placement for next-generation multi-rotor drones.

  2. Computational modeling of unsteady third-grade fluid flow over a vertical cylinder: A study of heat transfer visualization

    Science.gov (United States)

    Reddy, G. Janardhana; Hiremath, Ashwini; Kumar, Mahesh

    2018-03-01

    The present paper aims to investigate the effect of Prandtl number for unsteady third-grade fluid flow over a uniformly heated vertical cylinder using Bejan's heat function concept. The mathematical model of this problem is given by highly time-dependent non-linear coupled equations and are resolved by an efficient unconditionally stable implicit scheme. The time histories of average values of momentum and heat transport coefficients as well as the steady-state flow variables are displayed graphically for distinct values of non-dimensional control parameters arising in the system. As the non-dimensional parameter value gets amplified, the time taken for the fluid flow variables to attain the time-independent state is decreasing. The dimensionless heat function values are closely associated with an overall rate of heat transfer. Thermal energy transfer visualization implies that the heat function contours are compact in the neighborhood of the leading edge of the hot cylindrical wall. It is noticed that the deviations of flow-field variables from the hot wall for a non-Newtonian third-grade fluid flow are significant compared to the usual Newtonian fluid flow.

  3. Basic definitions for discrete modeling of computer worms epidemics

    Directory of Open Access Journals (Sweden)

    Pedro Guevara López

    2015-01-01

    Full Text Available The information technologies have evolved in such a way that communication between computers or hosts has become common, so much that the worldwide organization (governments and corporations depends on it; what could happen if these computers stop working for a long time is catastrophic. Unfortunately, networks are attacked by malware such as viruses and worms that could collapse the system. This has served as motivation for the formal study of computer worms and epidemics to develop strategies for prevention and protection; this is why in this paper, before analyzing epidemiological models, a set of formal definitions based on set theory and functions is proposed for describing 21 concepts used in the study of worms. These definitions provide a basis for future qualitative research on the behavior of computer worms, and quantitative for the study of their epidemiological models.

  4. Computational 3-D Model of the Human Respiratory System

    Science.gov (United States)

    We are developing a comprehensive, morphologically-realistic computational model of the human respiratory system that can be used to study the inhalation, deposition, and clearance of contaminants, while being adaptable for age, race, gender, and health/disease status. The model ...

  5. Computational Studies of Ionic Liquids

    National Research Council Canada - National Science Library

    Boatz, Jerry

    2004-01-01

    The structures and relative energies of the six possible N-protonated structures of the 1,5-diamino-1,2,3,4-tetrazolium cation have been computed at the B3LYP(3)/6-311G(d,p) and MP2/6-311G(d,p) levels of theory...

  6. A computer-simulation study on the effects of MRI voxel dimensions on carotid plaque lipid-core and fibrous cap segmentation and stress modeling.

    Directory of Open Access Journals (Sweden)

    Harm A Nieuwstadt

    Full Text Available The benefits of a decreased slice thickness and/or in-plane voxel size in carotid MRI for atherosclerotic plaque component quantification accuracy and biomechanical peak cap stress analysis have not yet been investigated in detail because of practical limitations.In order to provide a methodology that allows such an investigation in detail, numerical simulations of a T1-weighted, contrast-enhanced, 2D MRI sequence were employed. Both the slice thickness (2 mm, 1 mm, and 0.5 mm and the in plane acquired voxel size (0.62x0.62 mm2 and 0.31x0.31 mm2 were varied. This virtual MRI approach was applied to 8 histology-based 3D patient carotid atherosclerotic plaque models.A decreased slice thickness did not result in major improvements in lumen, vessel wall, and lipid-rich necrotic core size measurements. At 0.62x0.62 mm2 in-plane, only a 0.5 mm slice thickness resulted in improved minimum fibrous cap thickness measurements (a 2-3 fold reduction in measurement error and only marginally improved peak cap stress computations. Acquiring voxels of 0.31x0.31 mm2 in-plane, however, led to either similar or significantly larger improvements in plaque component quantification and computed peak cap stress.This study provides evidence that for currently-used 2D carotid MRI protocols, a decreased slice thickness might not be more beneficial for plaque measurement accuracy than a decreased in-plane voxel size. The MRI simulations performed indicate that not a reduced slice thickness (i.e. more isotropic imaging, but the acquisition of anisotropic voxels with a relatively smaller in-plane voxel size could improve carotid plaque quantification and computed peak cap stress accuracy.

  7. Computational mathematics models, methods, and analysis with Matlab and MPI

    CERN Document Server

    White, Robert E

    2004-01-01

    Computational Mathematics: Models, Methods, and Analysis with MATLAB and MPI explores and illustrates this process. Each section of the first six chapters is motivated by a specific application. The author applies a model, selects a numerical method, implements computer simulations, and assesses the ensuing results. These chapters include an abundance of MATLAB code. By studying the code instead of using it as a "black box, " you take the first step toward more sophisticated numerical modeling. The last four chapters focus on multiprocessing algorithms implemented using message passing interface (MPI). These chapters include Fortran 9x codes that illustrate the basic MPI subroutines and revisit the applications of the previous chapters from a parallel implementation perspective. All of the codes are available for download from www4.ncsu.edu./~white.This book is not just about math, not just about computing, and not just about applications, but about all three--in other words, computational science. Whether us...

  8. Tutorial: Parallel Computing of Simulation Models for Risk Analysis.

    Science.gov (United States)

    Reilly, Allison C; Staid, Andrea; Gao, Michael; Guikema, Seth D

    2016-10-01

    Simulation models are widely used in risk analysis to study the effects of uncertainties on outcomes of interest in complex problems. Often, these models are computationally complex and time consuming to run. This latter point may be at odds with time-sensitive evaluations or may limit the number of parameters that are considered. In this article, we give an introductory tutorial focused on parallelizing simulation code to better leverage modern computing hardware, enabling risk analysts to better utilize simulation-based methods for quantifying uncertainty in practice. This article is aimed primarily at risk analysts who use simulation methods but do not yet utilize parallelization to decrease the computational burden of these models. The discussion is focused on conceptual aspects of embarrassingly parallel computer code and software considerations. Two complementary examples are shown using the languages MATLAB and R. A brief discussion of hardware considerations is located in the Appendix. © 2016 Society for Risk Analysis.

  9. Airfoil computations using the gamma-Retheta model; Wind turbines

    Energy Technology Data Exchange (ETDEWEB)

    Soerensen, Niels N.

    2009-05-15

    The present work addresses the validation of the implementation of the Menter, Langtry et al. gamma-theta correlation based transition model [1, 2, 3] in the EllipSys2D code. Firstly the 2. order of accuracy of the code is verified using a grid refinement study for laminar, turbulent and transitional computations. Based on this, an estimate of the error in the computations is determined to be approximately one percent in the attached region. Following the verification of the implemented model, the model is applied to four airfoils, NACA64-018, NACA64-218, NACA64-418 and NACA64-618 and the results are compared to measurements [4] and computations using the Xfoil code by Drela et al. [5]. In the linear pre stall region good agreement is observed both for lift and drag, while differences to both measurements and Xfoil computations are observed in stalled conditions. (au)

  10. Geometric modeling for computer aided design

    Science.gov (United States)

    Schwing, James L.; Olariu, Stephen

    1995-01-01

    The primary goal of this grant has been the design and implementation of software to be used in the conceptual design of aerospace vehicles particularly focused on the elements of geometric design, graphical user interfaces, and the interaction of the multitude of software typically used in this engineering environment. This has resulted in the development of several analysis packages and design studies. These include two major software systems currently used in the conceptual level design of aerospace vehicles. These tools are SMART, the Solid Modeling Aerospace Research Tool, and EASIE, the Environment for Software Integration and Execution. Additional software tools were designed and implemented to address the needs of the engineer working in the conceptual design environment. SMART provides conceptual designers with a rapid prototyping capability and several engineering analysis capabilities. In addition, SMART has a carefully engineered user interface that makes it easy to learn and use. Finally, a number of specialty characteristics have been built into SMART which allow it to be used efficiently as a front end geometry processor for other analysis packages. EASIE provides a set of interactive utilities that simplify the task of building and executing computer aided design systems consisting of diverse, stand-alone, analysis codes. Resulting in a streamlining of the exchange of data between programs reducing errors and improving the efficiency. EASIE provides both a methodology and a collection of software tools to ease the task of coordinating engineering design and analysis codes.

  11. Caps and gaps: a computer model for studies on brood incubation strategies in honeybees (Apis mellifera carnica)

    Science.gov (United States)

    Fehler, Manuel; Kleinhenz, Marco; Klügl, Franziska; Puppe, Frank; Tautz, Jürgen

    2007-08-01

    In addition to heat production on the comb surface, honeybee workers frequently visit open cells (“gaps”) that are scattered throughout the sealed brood area, and enter them to incubate adjacent brood cells. We examined the efficiency of this heating strategy under different environmental conditions and for gap proportions from 0 to 50%. For gap proportions from 4 to 10%, which are common to healthy colonies, we find a significant reduction in the incubation time per brood cell to maintain the correct temperature. The savings make up 18 to 37% of the time, which would be required for this task in completely sealed brood areas without any gaps. For unnatural high proportions of gaps (>20%), which may be the result of inbreeding or indicate a poor condition of the colony, brood nest thermoregulation becomes less efficient, and the incubation time per brood cell has to increase to maintain breeding temperature. Although the presence of gaps is not essential to maintain an optimal brood nest temperature, a small number of gaps make heating more economical by reducing the time and energy that must be spent on this vital task. As the benefit depends on the availability, spatial distribution and usage of gaps by the bees, further studies need to show the extent to which these results apply to real colonies.

  12. Computer modelling of superconductive fault current limiters

    Energy Technology Data Exchange (ETDEWEB)

    Weller, R.A.; Campbell, A.M.; Coombs, T.A.; Cardwell, D.A.; Storey, R.J. [Cambridge Univ. (United Kingdom). Interdisciplinary Research Centre in Superconductivity (IRC); Hancox, J. [Rolls Royce, Applied Science Division, Derby (United Kingdom)

    1998-05-01

    Investigations are being carried out on the use of superconductors for fault current limiting applications. A number of computer programs are being developed to predict the behavior of different `resistive` fault current limiter designs under a variety of fault conditions. The programs achieve solution by iterative methods based around real measured data rather than theoretical models in order to achieve accuracy at high current densities. (orig.) 5 refs.

  13. Computational fluid dynamics modelling in cardiovascular medicine.

    Science.gov (United States)

    Morris, Paul D; Narracott, Andrew; von Tengg-Kobligk, Hendrik; Silva Soto, Daniel Alejandro; Hsiao, Sarah; Lungu, Angela; Evans, Paul; Bressloff, Neil W; Lawford, Patricia V; Hose, D Rodney; Gunn, Julian P

    2016-01-01

    This paper reviews the methods, benefits and challenges associated with the adoption and translation of computational fluid dynamics (CFD) modelling within cardiovascular medicine. CFD, a specialist area of mathematics and a branch of fluid mechanics, is used routinely in a diverse range of safety-critical engineering systems, which increasingly is being applied to the cardiovascular system. By facilitating rapid, economical, low-risk prototyping, CFD modelling has already revolutionised research and development of devices such as stents, valve prostheses, and ventricular assist devices. Combined with cardiovascular imaging, CFD simulation enables detailed characterisation of complex physiological pressure and flow fields and the computation of metrics which cannot be directly measured, for example, wall shear stress. CFD models are now being translated into clinical tools for physicians to use across the spectrum of coronary, valvular, congenital, myocardial and peripheral vascular diseases. CFD modelling is apposite for minimally-invasive patient assessment. Patient-specific (incorporating data unique to the individual) and multi-scale (combining models of different length- and time-scales) modelling enables individualised risk prediction and virtual treatment planning. This represents a significant departure from traditional dependence upon registry-based, population-averaged data. Model integration is progressively moving towards 'digital patient' or 'virtual physiological human' representations. When combined with population-scale numerical models, these models have the potential to reduce the cost, time and risk associated with clinical trials. The adoption of CFD modelling signals a new era in cardiovascular medicine. While potentially highly beneficial, a number of academic and commercial groups are addressing the associated methodological, regulatory, education- and service-related challenges. Published by the BMJ Publishing Group Limited. For permission

  14. Assessment of weld thickness loss in offshore pipelines using computed radiography and computational modeling

    International Nuclear Information System (INIS)

    Correa, S.C.A.; Souza, E.M.; Oliveira, D.F.; Silva, A.X.; Lopes, R.T.; Marinho, C.; Camerini, C.S.

    2009-01-01

    In order to guarantee the structural integrity of oil plants it is crucial to monitor the amount of weld thickness loss in offshore pipelines. However, in spite of its relevance, this parameter is very difficult to determine, due to both the large diameter of most pipes and the complexity of the multi-variable system involved. In this study, a computational modeling based on Monte Carlo MCNPX code is combined with computed radiography to estimate the weld thickness loss in large-diameter offshore pipelines. Results show that computational modeling is a powerful tool to estimate intensity variations in radiographic images generated by weld thickness variations, and it can be combined with computed radiography to assess weld thickness loss in offshore and subsea pipelines.

  15. Analytical performance modeling for computer systems

    CERN Document Server

    Tay, Y C

    2013-01-01

    This book is an introduction to analytical performance modeling for computer systems, i.e., writing equations to describe their performance behavior. It is accessible to readers who have taken college-level courses in calculus and probability, networking and operating systems. This is not a training manual for becoming an expert performance analyst. Rather, the objective is to help the reader construct simple models for analyzing and understanding the systems that they are interested in.Describing a complicated system abstractly with mathematical equations requires a careful choice of assumpti

  16. The deterministic computational modelling of radioactivity

    International Nuclear Information System (INIS)

    Damasceno, Ralf M.; Barros, Ricardo C.

    2009-01-01

    This paper describes a computational applicative (software) that modelling the simply radioactive decay, the stable nuclei decay, and tbe chain decay directly coupled with superior limit of thirteen radioactive decays, and a internal data bank with the decay constants of the various existent decays, facilitating considerably the use of program by people who does not have access to the program are not connected to the nuclear area; this makes access of the program to people that do not have acknowledgment of that area. The paper presents numerical results for typical problem-models

  17. ADGEN: ADjoint GENerator for computer models

    Energy Technology Data Exchange (ETDEWEB)

    Worley, B.A.; Pin, F.G.; Horwedel, J.E.; Oblow, E.M.

    1989-05-01

    This paper presents the development of a FORTRAN compiler and an associated supporting software library called ADGEN. ADGEN reads FORTRAN models as input and produces and enhanced version of the input model. The enhanced version reproduces the original model calculations but also has the capability to calculate derivatives of model results of interest with respect to any and all of the model data and input parameters. The method for calculating the derivatives and sensitivities is the adjoint method. Partial derivatives are calculated analytically using computer calculus and saved as elements of an adjoint matrix on direct assess storage. The total derivatives are calculated by solving an appropriate adjoint equation. ADGEN is applied to a major computer model of interest to the Low-Level Waste Community, the PRESTO-II model. PRESTO-II sample problem results reveal that ADGEN correctly calculates derivatives of response of interest with respect to 300 parameters. The execution time to create the adjoint matrix is a factor of 45 times the execution time of the reference sample problem. Once this matrix is determined, the derivatives with respect to 3000 parameters are calculated in a factor of 6.8 that of the reference model for each response of interest. For a single 3000 for determining these derivatives by parameter perturbations. The automation of the implementation of the adjoint technique for calculating derivatives and sensitivities eliminates the costly and manpower-intensive task of direct hand-implementation by reprogramming and thus makes the powerful adjoint technique more amenable for use in sensitivity analysis of existing models. 20 refs., 1 fig., 5 tabs.

  18. ADGEN: ADjoint GENerator for computer models

    International Nuclear Information System (INIS)

    Worley, B.A.; Pin, F.G.; Horwedel, J.E.; Oblow, E.M.

    1989-05-01

    This paper presents the development of a FORTRAN compiler and an associated supporting software library called ADGEN. ADGEN reads FORTRAN models as input and produces and enhanced version of the input model. The enhanced version reproduces the original model calculations but also has the capability to calculate derivatives of model results of interest with respect to any and all of the model data and input parameters. The method for calculating the derivatives and sensitivities is the adjoint method. Partial derivatives are calculated analytically using computer calculus and saved as elements of an adjoint matrix on direct assess storage. The total derivatives are calculated by solving an appropriate adjoint equation. ADGEN is applied to a major computer model of interest to the Low-Level Waste Community, the PRESTO-II model. PRESTO-II sample problem results reveal that ADGEN correctly calculates derivatives of response of interest with respect to 300 parameters. The execution time to create the adjoint matrix is a factor of 45 times the execution time of the reference sample problem. Once this matrix is determined, the derivatives with respect to 3000 parameters are calculated in a factor of 6.8 that of the reference model for each response of interest. For a single 3000 for determining these derivatives by parameter perturbations. The automation of the implementation of the adjoint technique for calculating derivatives and sensitivities eliminates the costly and manpower-intensive task of direct hand-implementation by reprogramming and thus makes the powerful adjoint technique more amenable for use in sensitivity analysis of existing models. 20 refs., 1 fig., 5 tabs

  19. Computational model for dosimetric purposes in dental procedures

    International Nuclear Information System (INIS)

    Kawamoto, Renato H.; Campos, Tarcisio R.

    2013-01-01

    This study aims to develop a computational model for dosimetric purposes the oral region, based on computational tools SISCODES and MCNP-5, to predict deterministic effects and minimize stochastic effects caused by ionizing radiation by radiodiagnosis. Based on a set of digital information provided by computed tomography, three-dimensional voxel model was created, and its tissues represented. The model was exported to the MCNP code. In association with SICODES, we used the Monte Carlo N-Particle Transport Code (MCNP-5) method to play the corresponding interaction of nuclear particles with human tissues statistical process. The study will serve as a source of data for dosimetric studies in the oral region, providing deterministic effect and minimize the stochastic effect of ionizing radiation

  20. Computational modeling of turn-taking dynamics in spoken conversations

    OpenAIRE

    Chowdhury, Shammur Absar

    2017-01-01

    The study of human interaction dynamics has been at the center for multiple research disciplines in- cluding computer and social sciences, conversational analysis and psychology, for over decades. Recent interest has been shown with the aim of designing computational models to improve human-machine interaction system as well as support humans in their decision-making process. Turn-taking is one of the key aspects of conversational dynamics in dyadic conversations and is an integral part of hu...

  1. Ferrofluids: Modeling, numerical analysis, and scientific computation

    Science.gov (United States)

    Tomas, Ignacio

    This dissertation presents some developments in the Numerical Analysis of Partial Differential Equations (PDEs) describing the behavior of ferrofluids. The most widely accepted PDE model for ferrofluids is the Micropolar model proposed by R.E. Rosensweig. The Micropolar Navier-Stokes Equations (MNSE) is a subsystem of PDEs within the Rosensweig model. Being a simplified version of the much bigger system of PDEs proposed by Rosensweig, the MNSE are a natural starting point of this thesis. The MNSE couple linear velocity u, angular velocity w, and pressure p. We propose and analyze a first-order semi-implicit fully-discrete scheme for the MNSE, which decouples the computation of the linear and angular velocities, is unconditionally stable and delivers optimal convergence rates under assumptions analogous to those used for the Navier-Stokes equations. Moving onto the much more complex Rosensweig's model, we provide a definition (approximation) for the effective magnetizing field h, and explain the assumptions behind this definition. Unlike previous definitions available in the literature, this new definition is able to accommodate the effect of external magnetic fields. Using this definition we setup the system of PDEs coupling linear velocity u, pressure p, angular velocity w, magnetization m, and magnetic potential ϕ We show that this system is energy-stable and devise a numerical scheme that mimics the same stability property. We prove that solutions of the numerical scheme always exist and, under certain simplifying assumptions, that the discrete solutions converge. A notable outcome of the analysis of the numerical scheme for the Rosensweig's model is the choice of finite element spaces that allow the construction of an energy-stable scheme. Finally, with the lessons learned from Rosensweig's model, we develop a diffuse-interface model describing the behavior of two-phase ferrofluid flows and present an energy-stable numerical scheme for this model. For a

  2. Biomedical Visual Computing: Case Studies and Challenges

    KAUST Repository

    Johnson, Christopher

    2012-01-01

    Advances in computational geometric modeling, imaging, and simulation let researchers build and test models of increasing complexity, generating unprecedented amounts of data. As recent research in biomedical applications illustrates, visualization will be critical in making this vast amount of data usable; it\\'s also fundamental to understanding models of complex phenomena. © 2012 IEEE.

  3. Biomedical Visual Computing: Case Studies and Challenges

    KAUST Repository

    Johnson, Christopher

    2012-01-01

    Advances in computational geometric modeling, imaging, and simulation let researchers build and test models of increasing complexity, generating unprecedented amounts of data. As recent research in biomedical applications illustrates, visualization will be critical in making this vast amount of data usable; it's also fundamental to understanding models of complex phenomena. © 2012 IEEE.

  4. Computational Modeling of Large Wildfires: A Roadmap

    KAUST Repository

    Coen, Janice L.

    2010-08-01

    Wildland fire behavior, particularly that of large, uncontrolled wildfires, has not been well understood or predicted. Our methodology to simulate this phenomenon uses high-resolution dynamic models made of numerical weather prediction (NWP) models coupled to fire behavior models to simulate fire behavior. NWP models are capable of modeling very high resolution (< 100 m) atmospheric flows. The wildland fire component is based upon semi-empirical formulas for fireline rate of spread, post-frontal heat release, and a canopy fire. The fire behavior is coupled to the atmospheric model such that low level winds drive the spread of the surface fire, which in turn releases sensible heat, latent heat, and smoke fluxes into the lower atmosphere, feeding back to affect the winds directing the fire. These coupled dynamic models capture the rapid spread downwind, flank runs up canyons, bifurcations of the fire into two heads, and rough agreement in area, shape, and direction of spread at periods for which fire location data is available. Yet, intriguing computational science questions arise in applying such models in a predictive manner, including physical processes that span a vast range of scales, processes such as spotting that cannot be modeled deterministically, estimating the consequences of uncertainty, the efforts to steer simulations with field data ("data assimilation"), lingering issues with short term forecasting of weather that may show skill only on the order of a few hours, and the difficulty of gathering pertinent data for verification and initialization in a dangerous environment. © 2010 IEEE.

  5. Enabling Grid Computing resources within the KM3NeT computing model

    Directory of Open Access Journals (Sweden)

    Filippidis Christos

    2016-01-01

    Full Text Available KM3NeT is a future European deep-sea research infrastructure hosting a new generation neutrino detectors that – located at the bottom of the Mediterranean Sea – will open a new window on the universe and answer fundamental questions both in particle physics and astrophysics. International collaborative scientific experiments, like KM3NeT, are generating datasets which are increasing exponentially in both complexity and volume, making their analysis, archival, and sharing one of the grand challenges of the 21st century. These experiments, in their majority, adopt computing models consisting of different Tiers with several computing centres and providing a specific set of services for the different steps of data processing such as detector calibration, simulation and data filtering, reconstruction and analysis. The computing requirements are extremely demanding and, usually, span from serial to multi-parallel or GPU-optimized jobs. The collaborative nature of these experiments demands very frequent WAN data transfers and data sharing among individuals and groups. In order to support the aforementioned demanding computing requirements we enabled Grid Computing resources, operated by EGI, within the KM3NeT computing model. In this study we describe our first advances in this field and the method for the KM3NeT users to utilize the EGI computing resources in a simulation-driven use-case.

  6. Computer modelling as a tool for understanding language evolution

    NARCIS (Netherlands)

    de Boer, Bart; Gontier, N; VanBendegem, JP; Aerts, D

    2006-01-01

    This paper describes the uses of computer models in studying the evolution of language. Language is a complex dynamic system that can be studied at the level of the individual and at the level of the population. Much of the dynamics of language evolution and language change occur because of the

  7. Computing camera heading: A study

    Science.gov (United States)

    Zhang, John Jiaxiang

    2000-08-01

    An accurate estimate of the motion of a camera is a crucial first step for the 3D reconstruction of sites, objects, and buildings from video. Solutions to the camera heading problem can be readily applied to many areas, such as robotic navigation, surgical operation, video special effects, multimedia, and lately even in internet commerce. From image sequences of a real world scene, the problem is to calculate the directions of the camera translations. The presence of rotations makes this problem very hard. This is because rotations and translations can have similar effects on the images, and are thus hard to tell apart. However, the visual angles between the projection rays of point pairs are unaffected by rotations, and their changes over time contain sufficient information to determine the direction of camera translation. We developed a new formulation of the visual angle disparity approach, first introduced by Tomasi, to the camera heading problem. Our new derivation makes theoretical analysis possible. Most notably, a theorem is obtained that locates all possible singularities of the residual function for the underlying optimization problem. This allows identifying all computation trouble spots beforehand, and to design reliable and accurate computational optimization methods. A bootstrap-jackknife resampling method simultaneously reduces complexity and tolerates outliers well. Experiments with image sequences show accurate results when compared with the true camera motion as measured with mechanical devices.

  8. Integration of case study approach, project design and computer ...

    African Journals Online (AJOL)

    Integration of case study approach, project design and computer modeling in managerial accounting education ... Journal of Fundamental and Applied Sciences ... in the Laboratory of Management Accounting and Controlling Systems at the ...

  9. Computational compliance criteria in water hammer modelling

    Directory of Open Access Journals (Sweden)

    Urbanowicz Kamil

    2017-01-01

    Full Text Available Among many numerical methods (finite: difference, element, volume etc. used to solve the system of partial differential equations describing unsteady pipe flow, the method of characteristics (MOC is most appreciated. With its help, it is possible to examine the effect of numerical discretisation carried over the pipe length. It was noticed, based on the tests performed in this study, that convergence of the calculation results occurred on a rectangular grid with the division of each pipe of the analysed system into at least 10 elements. Therefore, it is advisable to introduce computational compliance criteria (CCC, which will be responsible for optimal discretisation of the examined system. The results of this study, based on the assumption of various values of the Courant-Friedrichs-Levy (CFL number, indicate also that the CFL number should be equal to one for optimum computational results. Application of the CCC criterion to own written and commercial computer programmes based on the method of characteristics will guarantee fast simulations and the necessary computational coherence.

  10. Computational compliance criteria in water hammer modelling

    Science.gov (United States)

    Urbanowicz, Kamil

    2017-10-01

    Among many numerical methods (finite: difference, element, volume etc.) used to solve the system of partial differential equations describing unsteady pipe flow, the method of characteristics (MOC) is most appreciated. With its help, it is possible to examine the effect of numerical discretisation carried over the pipe length. It was noticed, based on the tests performed in this study, that convergence of the calculation results occurred on a rectangular grid with the division of each pipe of the analysed system into at least 10 elements. Therefore, it is advisable to introduce computational compliance criteria (CCC), which will be responsible for optimal discretisation of the examined system. The results of this study, based on the assumption of various values of the Courant-Friedrichs-Levy (CFL) number, indicate also that the CFL number should be equal to one for optimum computational results. Application of the CCC criterion to own written and commercial computer programmes based on the method of characteristics will guarantee fast simulations and the necessary computational coherence.

  11. Computer models in the design of FXR

    International Nuclear Information System (INIS)

    Vogtlin, G.; Kuenning, R.

    1980-01-01

    Lawrence Livermore National Laboratory is developing a 15 to 20 MeV electron accelerator with a beam current goal of 4 kA. This accelerator will be used for flash radiography and has a requirement of high reliability. Components being developed include spark gaps, Marx generators, water Blumleins and oil insulation systems. A SCEPTRE model was developed that takes into consideration the non-linearity of the ferrite and the time dependency of the emission from a field emitter cathode. This model was used to predict an optimum charge time to obtain maximum magnetic flux change from the ferrite. This model and its application will be discussed. JASON was used extensively to determine optimum locations and shapes of supports and insulators. It was also used to determine stress within bubbles adjacent to walls in oil. Computer results will be shown and bubble breakdown will be related to bubble size

  12. COMPARATIVE STUDY OF CLOUD COMPUTING AND MOBILE CLOUD COMPUTING

    OpenAIRE

    Nidhi Rajak*, Diwakar Shukla

    2018-01-01

    Present era is of Information and Communication Technology (ICT) and there are number of researches are going on Cloud Computing and Mobile Cloud Computing such security issues, data management, load balancing and so on. Cloud computing provides the services to the end user over Internet and the primary objectives of this computing are resource sharing and pooling among the end users. Mobile Cloud Computing is a combination of Cloud Computing and Mobile Computing. Here, data is stored in...

  13. Computational fluid dynamic modelling of cavitation

    Science.gov (United States)

    Deshpande, Manish; Feng, Jinzhang; Merkle, Charles L.

    1993-01-01

    Models in sheet cavitation in cryogenic fluids are developed for use in Euler and Navier-Stokes codes. The models are based upon earlier potential-flow models but enable the cavity inception point, length, and shape to be determined as part of the computation. In the present paper, numerical solutions are compared with experimental measurements for both pressure distribution and cavity length. Comparisons between models are also presented. The CFD model provides a relatively simple modification to an existing code to enable cavitation performance predictions to be included. The analysis also has the added ability of incorporating thermodynamic effects of cryogenic fluids into the analysis. Extensions of the current two-dimensional steady state analysis to three-dimensions and/or time-dependent flows are, in principle, straightforward although geometrical issues become more complicated. Linearized models, however offer promise of providing effective cavitation modeling in three-dimensions. This analysis presents good potential for improved understanding of many phenomena associated with cavity flows.

  14. Modelling of data uncertainties on hybrid computers

    Energy Technology Data Exchange (ETDEWEB)

    Schneider, Anke (ed.)

    2016-06-15

    The codes d{sup 3}f and r{sup 3}t are well established for modelling density-driven flow and nuclide transport in the far field of repositories for hazardous material in deep geological formations. They are applicable in porous media as well as in fractured rock or mudstone, for modelling salt- and heat transport as well as a free groundwater surface. Development of the basic framework of d{sup 3}f and r{sup 3}t had begun more than 20 years ago. Since that time significant advancements took place in the requirements for safety assessment as well as for computer hardware development. The period of safety assessment for a repository of high-level radioactive waste was extended to 1 million years, and the complexity of the models is steadily growing. Concurrently, the demands on accuracy increase. Additionally, model and parameter uncertainties become more and more important for an increased understanding of prediction reliability. All this leads to a growing demand for computational power that requires a considerable software speed-up. An effective way to achieve this is the use of modern, hybrid computer architectures which requires basically the set-up of new data structures and a corresponding code revision but offers a potential speed-up by several orders of magnitude. The original codes d{sup 3}f and r{sup 3}t were applications of the software platform UG /BAS 94/ whose development had begun in the early nineteennineties. However, UG had recently been advanced to the C++ based, substantially revised version UG4 /VOG 13/. To benefit also in the future from state-of-the-art numerical algorithms and to use hybrid computer architectures, the codes d{sup 3}f and r{sup 3}t were transferred to this new code platform. Making use of the fact that coupling between different sets of equations is natively supported in UG4, d{sup 3}f and r{sup 3}t were combined to one conjoint code d{sup 3}f++. A direct estimation of uncertainties for complex groundwater flow models with the

  15. Computational model of a whole tree combustor

    Energy Technology Data Exchange (ETDEWEB)

    Bryden, K.M.; Ragland, K.W. [Univ. of Wisconsin, Madison, WI (United States)

    1993-12-31

    A preliminary computational model has been developed for the whole tree combustor and compared to test results. In the simulation model presented hardwood logs, 15 cm in diameter are burned in a 4 m deep fuel bed. Solid and gas temperature, solid and gas velocity, CO, CO{sub 2}, H{sub 2}O, HC and O{sub 2} profiles are calculated. This deep, fixed bed combustor obtains high energy release rates per unit area due to the high inlet air velocity and extended reaction zone. The lowest portion of the overall bed is an oxidizing region and the remainder of the bed acts as a gasification and drying region. The overfire air region completes the combustion. Approximately 40% of the energy is released in the lower oxidizing region. The wood consumption rate obtained from the computational model is 4,110 kg/m{sup 2}-hr which matches well the consumption rate of 3,770 kg/m{sup 2}-hr observed during the peak test period of the Aurora, MN test. The predicted heat release rate is 16 MW/m{sup 2} (5.0*10{sup 6} Btu/hr-ft{sup 2}).

  16. Automatic Model Generation Framework for Computational Simulation of Cochlear Implantation

    DEFF Research Database (Denmark)

    Mangado Lopez, Nerea; Ceresa, Mario; Duchateau, Nicolas

    2016-01-01

    . To address such a challenge, we propose an automatic framework for the generation of patient-specific meshes for finite element modeling of the implanted cochlea. First, a statistical shape model is constructed from high-resolution anatomical μCT images. Then, by fitting the statistical model to a patient......'s CT image, an accurate model of the patient-specific cochlea anatomy is obtained. An algorithm based on the parallel transport frame is employed to perform the virtual insertion of the cochlear implant. Our automatic framework also incorporates the surrounding bone and nerve fibers and assigns......Recent developments in computational modeling of cochlear implantation are promising to study in silico the performance of the implant before surgery. However, creating a complete computational model of the patient's anatomy while including an external device geometry remains challenging...

  17. Importance of Computer Model Validation in Pyroprocessing Technology Development

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Y. E.; Li, Hui; Yim, M. S. [Korea Advanced Institute of Science and Technology, Daejeon (Korea, Republic of)

    2014-05-15

    In this research, we developed a plan for experimental validation of one of the computer models developed for ER process modeling, i. e., the ERAD code. Several candidate surrogate materials are selected for the experiment considering the chemical and physical properties. Molten salt-based pyroprocessing technology is being examined internationally as an alternative to treat spent nuclear fuel over aqueous technology. The central process in pyroprocessing is electrorefining(ER) which separates uranium from transuranic elements and fission products present in spent nuclear fuel. ER is a widely used process in the minerals industry to purify impure metals. Studies of ER by using actual spent nuclear fuel materials are problematic for both technical and political reasons. Therefore, the initial effort for ER process optimization is made by using computer models. A number of models have been developed for this purpose. But as validation of these models is incomplete and often times problematic, the simulation results from these models are inherently uncertain.

  18. Dissociated dislocations in Ni: a computational study

    International Nuclear Information System (INIS)

    Szelestey, P.; Patriarca, M.; Kaski, K.

    2005-01-01

    A systematic computational study of the behavior of a (1/2) dissociated screw dislocation in fcc nickel is presented, in which atomic interactions are described through an embedded-atom potential. A suitable external stress is applied on the system, both for modifying the equilibrium separation distance d and moving the dislocation complex. The structure of the dislocation and its corresponding changes during the motion are studied in the framework of the two-dimensional Peierls model, for different values of the ratio d/a', where a' is the period of the Peierls potential. The distance between the edge and screw components of the partials, as well as their widths, undergo a modulation with period a', as the dislocation moves, and the amplitudes of such oscillations are shown to depend on d/a'. The stress profile acting on the dislocation complex is analyzed and the effective Peierls stress is estimated for different values of d/a'

  19. Dynamical Models for Computer Viruses Propagation

    Directory of Open Access Journals (Sweden)

    José R. C. Piqueira

    2008-01-01

    Full Text Available Nowadays, digital computer systems and networks are the main engineering tools, being used in planning, design, operation, and control of all sizes of building, transportation, machinery, business, and life maintaining devices. Consequently, computer viruses became one of the most important sources of uncertainty, contributing to decrease the reliability of vital activities. A lot of antivirus programs have been developed, but they are limited to detecting and removing infections, based on previous knowledge of the virus code. In spite of having good adaptation capability, these programs work just as vaccines against diseases and are not able to prevent new infections based on the network state. Here, a trial on modeling computer viruses propagation dynamics relates it to other notable events occurring in the network permitting to establish preventive policies in the network management. Data from three different viruses are collected in the Internet and two different identification techniques, autoregressive and Fourier analyses, are applied showing that it is possible to forecast the dynamics of a new virus propagation by using the data collected from other viruses that formerly infected the network.

  20. Computational social dynamic modeling of group recruitment.

    Energy Technology Data Exchange (ETDEWEB)

    Berry, Nina M.; Lee, Marinna; Pickett, Marc; Turnley, Jessica Glicken (Sandia National Laboratories, Albuquerque, NM); Smrcka, Julianne D. (Sandia National Laboratories, Albuquerque, NM); Ko, Teresa H.; Moy, Timothy David (Sandia National Laboratories, Albuquerque, NM); Wu, Benjamin C.

    2004-01-01

    The Seldon software toolkit combines concepts from agent-based modeling and social science to create a computationally social dynamic model for group recruitment. The underlying recruitment model is based on a unique three-level hybrid agent-based architecture that contains simple agents (level one), abstract agents (level two), and cognitive agents (level three). This uniqueness of this architecture begins with abstract agents that permit the model to include social concepts (gang) or institutional concepts (school) into a typical software simulation environment. The future addition of cognitive agents to the recruitment model will provide a unique entity that does not exist in any agent-based modeling toolkits to date. We use social networks to provide an integrated mesh within and between the different levels. This Java based toolkit is used to analyze different social concepts based on initialization input from the user. The input alters a set of parameters used to influence the values associated with the simple agents, abstract agents, and the interactions (simple agent-simple agent or simple agent-abstract agent) between these entities. The results of phase-1 Seldon toolkit provide insight into how certain social concepts apply to different scenario development for inner city gang recruitment.

  1. Geometric and computer-aided spline hob modeling

    Science.gov (United States)

    Brailov, I. G.; Myasoedova, T. M.; Panchuk, K. L.; Krysova, I. V.; Rogoza, YU A.

    2018-03-01

    The paper considers acquiring the spline hob geometric model. The objective of the research is the development of a mathematical model of spline hob for spline shaft machining. The structure of the spline hob is described taking into consideration the motion in parameters of the machine tool system of cutting edge positioning and orientation. Computer-aided study is performed with the use of CAD and on the basis of 3D modeling methods. Vector representation of cutting edge geometry is accepted as the principal method of spline hob mathematical model development. The paper defines the correlations described by parametric vector functions representing helical cutting edges designed for spline shaft machining with consideration for helical movement in two dimensions. An application for acquiring the 3D model of spline hob is developed on the basis of AutoLISP for AutoCAD environment. The application presents the opportunity for the use of the acquired model for milling process imitation. An example of evaluation, analytical representation and computer modeling of the proposed geometrical model is reviewed. In the mentioned example, a calculation of key spline hob parameters assuring the capability of hobbing a spline shaft of standard design is performed. The polygonal and solid spline hob 3D models are acquired by the use of imitational computer modeling.

  2. Getting computer models to communicate; Faire communiquer les modeles numeriques

    Energy Technology Data Exchange (ETDEWEB)

    Caremoli, Ch. [Electricite de France (EDF), 75 - Paris (France). Dept. Mecanique et Modeles Numeriques; Erhard, P. [Electricite de France (EDF), 75 - Paris (France). Dept. Physique des Reacteurs

    1999-07-01

    Today's computers have the processing power to deliver detailed and global simulations of complex industrial processes such as the operation of a nuclear reactor core. So should we be producing new, global numerical models to take full advantage of this new-found power? If so, it would be a long-term job. There is, however, another solution; to couple the existing validated numerical models together so that they work as one. (authors)

  3. Can a numerically stable subgrid-scale model for turbulent flow computation be ideally accurate?: a preliminary theoretical study for the Gaussian filtered Navier-Stokes equations.

    Science.gov (United States)

    Ida, Masato; Taniguchi, Nobuyuki

    2003-09-01

    This paper introduces a candidate for the origin of the numerical instabilities in large eddy simulation repeatedly observed in academic and practical industrial flow computations. Without resorting to any subgrid-scale modeling, but based on a simple assumption regarding the streamwise component of flow velocity, it is shown theoretically that in a channel-flow computation, the application of the Gaussian filtering to the incompressible Navier-Stokes equations yields a numerically unstable term, a cross-derivative term, which is similar to one appearing in the Gaussian filtered Vlasov equation derived by Klimas [J. Comput. Phys. 68, 202 (1987)] and also to one derived recently by Kobayashi and Shimomura [Phys. Fluids 15, L29 (2003)] from the tensor-diffusivity subgrid-scale term in a dynamic mixed model. The present result predicts that not only the numerical methods and the subgrid-scale models employed but also only the applied filtering process can be a seed of this numerical instability. An investigation concerning the relationship between the turbulent energy scattering and the unstable term shows that the instability of the term does not necessarily represent the backscatter of kinetic energy which has been considered a possible origin of numerical instabilities in large eddy simulation. The present findings raise the question whether a numerically stable subgrid-scale model can be ideally accurate.

  4. An Agent-Based Model of a Hepatic Inflammatory Response to Salmonella: A Computational Study under a Large Set of Experimental Data.

    Science.gov (United States)

    Shi, Zhenzhen; Chapes, Stephen K; Ben-Arieh, David; Wu, Chih-Hang

    2016-01-01

    We present an agent-based model (ABM) to simulate a hepatic inflammatory response (HIR) in a mouse infected by Salmonella that sometimes progressed to problematic proportions, known as "sepsis". Based on over 200 published studies, this ABM describes interactions among 21 cells or cytokines and incorporates 226 experimental data sets and/or data estimates from those reports to simulate a mouse HIR in silico. Our simulated results reproduced dynamic patterns of HIR reported in the literature. As shown in vivo, our model also demonstrated that sepsis was highly related to the initial Salmonella dose and the presence of components of the adaptive immune system. We determined that high mobility group box-1, C-reactive protein, and the interleukin-10: tumor necrosis factor-α ratio, and CD4+ T cell: CD8+ T cell ratio, all recognized as biomarkers during HIR, significantly correlated with outcomes of HIR. During therapy-directed silico simulations, our results demonstrated that anti-agent intervention impacted the survival rates of septic individuals in a time-dependent manner. By specifying the infected species, source of infection, and site of infection, this ABM enabled us to reproduce the kinetics of several essential indicators during a HIR, observe distinct dynamic patterns that are manifested during HIR, and allowed us to test proposed therapy-directed treatments. Although limitation still exists, this ABM is a step forward because it links underlying biological processes to computational simulation and was validated through a series of comparisons between the simulated results and experimental studies.

  5. Analysis of a Model for Computer Virus Transmission

    Directory of Open Access Journals (Sweden)

    Peng Qin

    2015-01-01

    Full Text Available Computer viruses remain a significant threat to computer networks. In this paper, the incorporation of new computers to the network and the removing of old computers from the network are considered. Meanwhile, the computers are equipped with antivirus software on the computer network. The computer virus model is established. Through the analysis of the model, disease-free and endemic equilibrium points are calculated. The stability conditions of the equilibria are derived. To illustrate our theoretical analysis, some numerical simulations are also included. The results provide a theoretical basis to control the spread of computer virus.

  6. Modeling Reality: How Computers Mirror Life

    International Nuclear Information System (INIS)

    Inoue, J-I

    2005-01-01

    Modeling Reality: How Computers Mirror Life covers a wide range of modern subjects in complex systems, suitable not only for undergraduate students who want to learn about modelling 'reality' by using computer simulations, but also for researchers who want to learn something about subjects outside of their majors and need a simple guide. Readers are not required to have specialized training before they start the book. Each chapter is organized so as to train the reader to grasp the essential idea of simulating phenomena and guide him/her towards more advanced areas. The topics presented in this textbook fall into two categories. The first is at graduate level, namely probability, statistics, information theory, graph theory, and the Turing machine, which are standard topics in the course of information science and information engineering departments. The second addresses more advanced topics, namely cellular automata, deterministic chaos, fractals, game theory, neural networks, and genetic algorithms. Several topics included here (neural networks, game theory, information processing, etc) are now some of the main subjects of statistical mechanics, and many papers related to these interdisciplinary fields are published in Journal of Physics A: Mathematical and General, so readers of this journal will be familiar with the subject areas of this book. However, each area is restricted to an elementary level and if readers wish to know more about the topics they are interested in, they will need more advanced books. For example, on neural networks, the text deals with the back-propagation algorithm for perceptron learning. Nowadays, however, this is a rather old topic, so the reader might well choose, for example, Introduction to the Theory of Neural Computation by J Hertz et al (Perseus books, 1991) or Statistical Physics of Spin Glasses and Information Processing by H Nishimori (Oxford University Press, 2001) for further reading. Nevertheless, this book is worthwhile

  7. Electromagnetic Physics Models for Parallel Computing Architectures

    International Nuclear Information System (INIS)

    Amadio, G; Bianchini, C; Iope, R; Ananya, A; Apostolakis, J; Aurora, A; Bandieramonte, M; Brun, R; Carminati, F; Gheata, A; Gheata, M; Goulas, I; Nikitina, T; Bhattacharyya, A; Mohanty, A; Canal, P; Elvira, D; Jun, S Y; Lima, G; Duhem, L

    2016-01-01

    The recent emergence of hardware architectures characterized by many-core or accelerated processors has opened new opportunities for concurrent programming models taking advantage of both SIMD and SIMT architectures. GeantV, a next generation detector simulation, has been designed to exploit both the vector capability of mainstream CPUs and multi-threading capabilities of coprocessors including NVidia GPUs and Intel Xeon Phi. The characteristics of these architectures are very different in terms of the vectorization depth and type of parallelization needed to achieve optimal performance. In this paper we describe implementation of electromagnetic physics models developed for parallel computing architectures as a part of the GeantV project. Results of preliminary performance evaluation and physics validation are presented as well. (paper)

  8. Electromagnetic Physics Models for Parallel Computing Architectures

    Science.gov (United States)

    Amadio, G.; Ananya, A.; Apostolakis, J.; Aurora, A.; Bandieramonte, M.; Bhattacharyya, A.; Bianchini, C.; Brun, R.; Canal, P.; Carminati, F.; Duhem, L.; Elvira, D.; Gheata, A.; Gheata, M.; Goulas, I.; Iope, R.; Jun, S. Y.; Lima, G.; Mohanty, A.; Nikitina, T.; Novak, M.; Pokorski, W.; Ribon, A.; Seghal, R.; Shadura, O.; Vallecorsa, S.; Wenzel, S.; Zhang, Y.

    2016-10-01

    The recent emergence of hardware architectures characterized by many-core or accelerated processors has opened new opportunities for concurrent programming models taking advantage of both SIMD and SIMT architectures. GeantV, a next generation detector simulation, has been designed to exploit both the vector capability of mainstream CPUs and multi-threading capabilities of coprocessors including NVidia GPUs and Intel Xeon Phi. The characteristics of these architectures are very different in terms of the vectorization depth and type of parallelization needed to achieve optimal performance. In this paper we describe implementation of electromagnetic physics models developed for parallel computing architectures as a part of the GeantV project. Results of preliminary performance evaluation and physics validation are presented as well.

  9. A COMPUTATIONAL MODEL OF MOTOR NEURON DEGENERATION

    Science.gov (United States)

    Le Masson, Gwendal; Przedborski, Serge; Abbott, L.F.

    2014-01-01

    SUMMARY To explore the link between bioenergetics and motor neuron degeneration, we used a computational model in which detailed morphology and ion conductance are paired with intracellular ATP production and consumption. We found that reduced ATP availability increases the metabolic cost of a single action potential and disrupts K+/Na+ homeostasis, resulting in a chronic depolarization. The magnitude of the ATP shortage at which this ionic instability occurs depends on the morphology and intrinsic conductance characteristic of the neuron. If ATP shortage is confined to the distal part of the axon, the ensuing local ionic instability eventually spreads to the whole neuron and involves fasciculation-like spiking events. A shortage of ATP also causes a rise in intracellular calcium. Our modeling work supports the notion that mitochondrial dysfunction can account for salient features of the paralytic disorder amyotrophic lateral sclerosis, including motor neuron hyperexcitability, fasciculation, and differential vulnerability of motor neuron subpopulations. PMID:25088365

  10. A computational model of motor neuron degeneration.

    Science.gov (United States)

    Le Masson, Gwendal; Przedborski, Serge; Abbott, L F

    2014-08-20

    To explore the link between bioenergetics and motor neuron degeneration, we used a computational model in which detailed morphology and ion conductance are paired with intracellular ATP production and consumption. We found that reduced ATP availability increases the metabolic cost of a single action potential and disrupts K+/Na+ homeostasis, resulting in a chronic depolarization. The magnitude of the ATP shortage at which this ionic instability occurs depends on the morphology and intrinsic conductance characteristic of the neuron. If ATP shortage is confined to the distal part of the axon, the ensuing local ionic instability eventually spreads to the whole neuron and involves fasciculation-like spiking events. A shortage of ATP also causes a rise in intracellular calcium. Our modeling work supports the notion that mitochondrial dysfunction can account for salient features of the paralytic disorder amyotrophic lateral sclerosis, including motor neuron hyperexcitability, fasciculation, and differential vulnerability of motor neuron subpopulations. Copyright © 2014 Elsevier Inc. All rights reserved.

  11. Algebraic computability and enumeration models recursion theory and descriptive complexity

    CERN Document Server

    Nourani, Cyrus F

    2016-01-01

    This book, Algebraic Computability and Enumeration Models: Recursion Theory and Descriptive Complexity, presents new techniques with functorial models to address important areas on pure mathematics and computability theory from the algebraic viewpoint. The reader is first introduced to categories and functorial models, with Kleene algebra examples for languages. Functorial models for Peano arithmetic are described toward important computational complexity areas on a Hilbert program, leading to computability with initial models. Infinite language categories are also introduced to explain descriptive complexity with recursive computability with admissible sets and urelements. Algebraic and categorical realizability is staged on several levels, addressing new computability questions with omitting types realizably. Further applications to computing with ultrafilters on sets and Turing degree computability are examined. Functorial models computability is presented with algebraic trees realizing intuitionistic type...

  12. Method of generating a computer readable model

    DEFF Research Database (Denmark)

    2008-01-01

    A method of generating a computer readable model of a geometrical object constructed from a plurality of interconnectable construction elements, wherein each construction element has a number of connection elements for connecting the construction element with another construction element. The met......A method of generating a computer readable model of a geometrical object constructed from a plurality of interconnectable construction elements, wherein each construction element has a number of connection elements for connecting the construction element with another construction element....... The method comprises encoding a first and a second one of the construction elements as corresponding data structures, each representing the connection elements of the corresponding construction element, and each of the connection elements having associated with it a predetermined connection type. The method...... further comprises determining a first connection element of the first construction element and a second connection element of the second construction element located in a predetermined proximity of each other; and retrieving connectivity information of the corresponding connection types of the first...

  13. A stochastic large deformation model for computational anatomy

    DEFF Research Database (Denmark)

    Arnaudon, Alexis; Holm, Darryl D.; Pai, Akshay Sadananda Uppinakudru

    2017-01-01

    In the study of shapes of human organs using computational anatomy, variations are found to arise from inter-subject anatomical differences, disease-specific effects, and measurement noise. This paper introduces a stochastic model for incorporating random variations into the Large Deformation...

  14. A Codesign Case Study in Computer Graphics

    DEFF Research Database (Denmark)

    Brage, Jens P.; Madsen, Jan

    1994-01-01

    The paper describes a codesign case study where a computer graphics application is examined with the intention to speed up its execution. The application is specified as a C program, and is characterized by the lack of a simple compute-intensive kernel. The hardware/software partitioning is based...

  15. Comparing the performance of SIMD computers by running large air pollution models

    DEFF Research Database (Denmark)

    Brown, J.; Hansen, Per Christian; Wasniewski, J.

    1996-01-01

    To compare the performance and use of three massively parallel SIMD computers, we implemented a large air pollution model on these computers. Using a realistic large-scale model, we gained detailed insight about the performance of the computers involved when used to solve large-scale scientific...... problems that involve several types of numerical computations. The computers used in our study are the Connection Machines CM-200 and CM-5, and the MasPar MP-2216...

  16. Analysis of Vector Models in Quantification of Artifacts Produced by Standard Prosthetic Inlays in Cone-Beam Computed Tomography (CBCT – a Preliminary Study

    Directory of Open Access Journals (Sweden)

    Ingrid Różyło-Kalinowska

    2014-11-01

    Full Text Available Cone-beam computed tomography (CBCT is a relatively new, but highly efficient imaging method applied first in dentistry in 1998. However, the quality of the obtained slices depends among other things on artifacts generated by dental restorations as well as orthodontic and prosthetic appliances. The aim of the study was to quantify the artifacts produced by standard prosthetic inlays in CBCT images. The material consisted of 17 standard prosthetic inlays mounted in dental roots embedded in resin. The samples were examined by means of a large field of view CBCT unit, Galileos (Sirona, Germany, at 85 kV and 14 mAs. The analysis was performed using Able 3DDoctor software for data in the CT raster space as well as by means of Materialise Magics software for generated vector models (STL. The masks generated in the raster space included the area of the inlays together with image artifacts. The region of interest (ROI of the raster space is a set of voxels from a selected range of Hounsfield units (109-3071. Ceramic inlay with zirconium dioxide (Cera Post as well as epoxy resin inlay including silica fibers enriched with zirconium (Easy Post produced the most intense artifacts. The smallest image distortions were created by titanium inlays, both passive (Harald Nordin and active (Flexi Flange. Inlays containing zirconium generated the strongest artifacts, thus leading to the greatest distortions in the CBCT images. Carbon fiber inlay did not considerably affect the image quality.

  17. Computational Study of Ethanol Conversion on Al 8 O 12 as a Model for γ-Al 2 O 3

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Zongtang; Wang, Yong; Dixon, David A.

    2015-10-15

    Correlated molecular orbital theory at the coupled cluster CCSD(T) level with density functional theory geometries is used to study ethanol dehydration, dehydrogenation, and condensation reactions on an the Al8O12 cluster which is a model for γ-Al2O3. The Al in the active site on the cluster is a strong Lewis acid. The reactions begin with formation of a very stable Lewis acid–base ethanol–cluster adduct. Dehydration proceeds by β-H transfer to a bicoordinate oxygen leading to the direct formation of ethylene and two OH groups following an E2 mechanism. Dehydrogenation proceeds directly by α-H transfer to the active metal center and a proton transfer to a bicoordinate bridge O to form acetaldehyde plus a metal hydride and a hydroxyl, again an E2 mechanism. After addition of a second ethanol, diethyl ether is generated by an α-C transfer from the first to the second ethanol, an acid-driven SN2 mechanism. Condensation and dehydration with two alcohols have comparable energy barriers. The addition of a second ethanol or a water molecule raises the energy barriers. Condensation and dehydration are predicted to be more likely than dehydrogenation. The computational results for the mechanism and the energetics agree well with the available experimental data.

  18. Computational Models for Calcium-Mediated Astrocyte Functions

    Directory of Open Access Journals (Sweden)

    Tiina Manninen

    2018-04-01

    Full Text Available The computational neuroscience field has heavily concentrated on the modeling of neuronal functions, largely ignoring other brain cells, including one type of glial cell, the astrocytes. Despite the short history of modeling astrocytic functions, we were delighted about the hundreds of models developed so far to study the role of astrocytes, most often in calcium dynamics, synchronization, information transfer, and plasticity in vitro, but also in vascular events, hyperexcitability, and homeostasis. Our goal here is to present the state-of-the-art in computational modeling of astrocytes in order to facilitate better understanding of the functions and dynamics of astrocytes in the brain. Due to the large number of models, we concentrated on a hundred models that include biophysical descriptions for calcium signaling and dynamics in astrocytes. We categorized the models into four groups: single astrocyte models, astrocyte network models, neuron-astrocyte synapse models, and neuron-astrocyte network models to ease their use in future modeling projects. We characterized the models based on which earlier models were used for building the models and which type of biological entities were described in the astrocyte models. Features of the models were compared and contrasted so that similarities and differences were more readily apparent. We discovered that most of the models were basically generated from a small set of previously published models with small variations. However, neither citations to all the previous models with similar core structure nor explanations of what was built on top of the previous models were provided, which made it possible, in some cases, to have the same models published several times without an explicit intention to make new predictions about the roles of astrocytes in brain functions. Furthermore, only a few of the models are available online which makes it difficult to reproduce the simulation results and further develop

  19. Computational Models for Calcium-Mediated Astrocyte Functions.

    Science.gov (United States)

    Manninen, Tiina; Havela, Riikka; Linne, Marja-Leena

    2018-01-01

    The computational neuroscience field has heavily concentrated on the modeling of neuronal functions, largely ignoring other brain cells, including one type of glial cell, the astrocytes. Despite the short history of modeling astrocytic functions, we were delighted about the hundreds of models developed so far to study the role of astrocytes, most often in calcium dynamics, synchronization, information transfer, and plasticity in vitro , but also in vascular events, hyperexcitability, and homeostasis. Our goal here is to present the state-of-the-art in computational modeling of astrocytes in order to facilitate better understanding of the functions and dynamics of astrocytes in the brain. Due to the large number of models, we concentrated on a hundred models that include biophysical descriptions for calcium signaling and dynamics in astrocytes. We categorized the models into four groups: single astrocyte models, astrocyte network models, neuron-astrocyte synapse models, and neuron-astrocyte network models to ease their use in future modeling projects. We characterized the models based on which earlier models were used for building the models and which type of biological entities were described in the astrocyte models. Features of the models were compared and contrasted so that similarities and differences were more readily apparent. We discovered that most of the models were basically generated from a small set of previously published models with small variations. However, neither citations to all the previous models with similar core structure nor explanations of what was built on top of the previous models were provided, which made it possible, in some cases, to have the same models published several times without an explicit intention to make new predictions about the roles of astrocytes in brain functions. Furthermore, only a few of the models are available online which makes it difficult to reproduce the simulation results and further develop the models. Thus

  20. Mapping the Most Significant Computer Hacking Events to a Temporal Computer Attack Model

    OpenAIRE

    Heerden , Renier ,; Pieterse , Heloise; Irwin , Barry

    2012-01-01

    Part 4: Section 3: ICT for Peace and War; International audience; This paper presents eight of the most significant computer hacking events (also known as computer attacks). These events were selected because of their unique impact, methodology, or other properties. A temporal computer attack model is presented that can be used to model computer based attacks. This model consists of the following stages: Target Identification, Reconnaissance, Attack, and Post-Attack Reconnaissance stages. The...

  1. Computer models of vocal tract evolution: an overview and critique

    NARCIS (Netherlands)

    de Boer, B.; Fitch, W. T.

    2010-01-01

    Human speech has been investigated with computer models since the invention of digital computers, and models of the evolution of speech first appeared in the late 1960s and early 1970s. Speech science and computer models have a long shared history because speech is a physical signal and can be

  2. A computer simulation model to compute the radiation transfer of mountainous regions

    Science.gov (United States)

    Li, Yuguang; Zhao, Feng; Song, Rui

    2011-11-01

    In mountainous regions, the radiometric signal recorded at the sensor depends on a number of factors such as sun angle, atmospheric conditions, surface cover type, and topography. In this paper, a computer simulation model of radiation transfer is designed and evaluated. This model implements the Monte Carlo ray-tracing techniques and is specifically dedicated to the study of light propagation in mountainous regions. The radiative processes between sun light and the objects within the mountainous region are realized by using forward Monte Carlo ray-tracing methods. The performance of the model is evaluated through detailed comparisons with the well-established 3D computer simulation model: RGM (Radiosity-Graphics combined Model) based on the same scenes and identical spectral parameters, which shows good agreements between these two models' results. By using the newly developed computer model, series of typical mountainous scenes are generated to analyze the physical mechanism of mountainous radiation transfer. The results show that the effects of the adjacent slopes are important for deep valleys and they particularly affect shadowed pixels, and the topographic effect needs to be considered in mountainous terrain before accurate inferences from remotely sensed data can be made.

  3. A Study on emission and reduction policy of greenhouse gas in Korea - a positive analysis using CGE (Computable General Equilibrium Model) model

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Gyeong Lyeob; Kwon, Tae Gyu [Korea Energy Economics Institute, Euiwang (Korea)

    1999-01-01

    The present situation and characters of greenhouse gas emission in Korea was reviewed and then the theoretical analysis on pros and cons about emissions trading system and carbon tax, and estimation of reduction cost and loss of GDP using GDP model to reduce greenhouse gas was discussed. Finally a ripple effect of carbon tax and emissions trading system on balance of international payments and output per each industry was reviewed. 24 refs., 34 Figs., 30 tabs.

  4. Computer modeling of Cannabinoid receptor type 1

    Directory of Open Access Journals (Sweden)

    Sapundzhi Fatima

    2018-01-01

    Full Text Available Cannabinoid receptors are important class of receptors as they are involved in various physiological processes such as appetite, pain-sensation, mood, and memory. It is important to design receptor-selective ligands in order to treat a particular disorder. The aim of the present study is to model the structure of cannabinoid receptor CB1 and to perform docking between obtained models and known ligands. Two models of CBR1 were prepared with two different methods (Modeller of Chimera and MOE. They were used for docking with GOLD 5.2. It was established a high correlation between inhibitory constant Ki of CB1 cannabinoid ligands and the ChemScore scoring function of GOLD, which concerns both models. This suggests that the models of the CB1 receptors obtained could be used for docking studies and in further investigation and design of new potential, selective and active cannabinoids with the desired effects.

  5. Computational model of cellular metabolic dynamics

    DEFF Research Database (Denmark)

    Li, Yanjun; Solomon, Thomas; Haus, Jacob M

    2010-01-01

    of the cytosol and mitochondria. The model simulated skeletal muscle metabolic responses to insulin corresponding to human hyperinsulinemic-euglycemic clamp studies. Insulin-mediated rate of glucose disposal was the primary model input. For model validation, simulations were compared with experimental data......: intracellular metabolite concentrations and patterns of glucose disposal. Model variations were simulated to investigate three alternative mechanisms to explain insulin enhancements: Model 1 (M.1), simple mass action; M.2, insulin-mediated activation of key metabolic enzymes (i.e., hexokinase, glycogen synthase......, by application of mechanism M.3, the model predicts metabolite concentration changes and glucose partitioning patterns consistent with experimental data. The reaction rate fluxes quantified by this detailed model of insulin/glucose metabolism provide information that can be used to evaluate the development...

  6. On turbulence models for rod bundle flow computations

    International Nuclear Information System (INIS)

    Hazi, Gabor

    2005-01-01

    In commercial computational fluid dynamics codes there is more than one turbulence model built in. It is the user responsibility to choose one of those models, suitable for the problem studied. In the last decade, several computations were presented using computational fluid dynamics for the simulation of various problems of the nuclear industry. A common feature in a number of those simulations is that they were performed using the standard k-ε turbulence model without justifying the choice of the model. The simulation results were rarely satisfactory. In this paper, we shall consider the flow in a fuel rod bundle as a case study and discuss why the application of the standard k-ε model fails to give reasonable results in this situation. We also show that a turbulence model based on the Reynolds stress transport equations can provide qualitatively correct results. Generally, our aim is pedagogical, we would like to call the readers attention to the fact that turbulence models have to be selected based on theoretical considerations and/or adequate information obtained from measurements

  7. High burnup models in computer code fair

    Energy Technology Data Exchange (ETDEWEB)

    Dutta, B K; Swami Prasad, P; Kushwaha, H S; Mahajan, S C; Kakodar, A [Bhabha Atomic Research Centre, Bombay (India)

    1997-08-01

    An advanced fuel analysis code FAIR has been developed for analyzing the behavior of fuel rods of water cooled reactors under severe power transients and high burnups. The code is capable of analyzing fuel pins of both collapsible clad, as in PHWR and free standing clad as in LWR. The main emphasis in the development of this code is on evaluating the fuel performance at extended burnups and modelling of the fuel rods for advanced fuel cycles. For this purpose, a number of suitable models have been incorporated in FAIR. For modelling the fission gas release, three different models are implemented, namely Physically based mechanistic model, the standard ANS 5.4 model and the Halden model. Similarly the pellet thermal conductivity can be modelled by the MATPRO equation, the SIMFUEL relation or the Halden equation. The flux distribution across the pellet is modelled by using the model RADAR. For modelling pellet clad interaction (PCMI)/ stress corrosion cracking (SCC) induced failure of sheath, necessary routines are provided in FAIR. The validation of the code FAIR is based on the analysis of fuel rods of EPRI project ``Light water reactor fuel rod modelling code evaluation`` and also the analytical simulation of threshold power ramp criteria of fuel rods of pressurized heavy water reactors. In the present work, a study is carried out by analysing three CRP-FUMEX rods to show the effect of various combinations of fission gas release models and pellet conductivity models, on the fuel analysis parameters. The satisfactory performance of FAIR may be concluded through these case studies. (author). 12 refs, 5 figs.

  8. High burnup models in computer code fair

    International Nuclear Information System (INIS)

    Dutta, B.K.; Swami Prasad, P.; Kushwaha, H.S.; Mahajan, S.C.; Kakodar, A.

    1997-01-01

    An advanced fuel analysis code FAIR has been developed for analyzing the behavior of fuel rods of water cooled reactors under severe power transients and high burnups. The code is capable of analyzing fuel pins of both collapsible clad, as in PHWR and free standing clad as in LWR. The main emphasis in the development of this code is on evaluating the fuel performance at extended burnups and modelling of the fuel rods for advanced fuel cycles. For this purpose, a number of suitable models have been incorporated in FAIR. For modelling the fission gas release, three different models are implemented, namely Physically based mechanistic model, the standard ANS 5.4 model and the Halden model. Similarly the pellet thermal conductivity can be modelled by the MATPRO equation, the SIMFUEL relation or the Halden equation. The flux distribution across the pellet is modelled by using the model RADAR. For modelling pellet clad interaction (PCMI)/ stress corrosion cracking (SCC) induced failure of sheath, necessary routines are provided in FAIR. The validation of the code FAIR is based on the analysis of fuel rods of EPRI project ''Light water reactor fuel rod modelling code evaluation'' and also the analytical simulation of threshold power ramp criteria of fuel rods of pressurized heavy water reactors. In the present work, a study is carried out by analysing three CRP-FUMEX rods to show the effect of various combinations of fission gas release models and pellet conductivity models, on the fuel analysis parameters. The satisfactory performance of FAIR may be concluded through these case studies. (author). 12 refs, 5 figs

  9. Parallel Computing for Terrestrial Ecosystem Carbon Modeling

    International Nuclear Information System (INIS)

    Wang, Dali; Post, Wilfred M.; Ricciuto, Daniel M.; Berry, Michael

    2011-01-01

    Terrestrial ecosystems are a primary component of research on global environmental change. Observational and modeling research on terrestrial ecosystems at the global scale, however, has lagged behind their counterparts for oceanic and atmospheric systems, largely because the unique challenges associated with the tremendous diversity and complexity of terrestrial ecosystems. There are 8 major types of terrestrial ecosystem: tropical rain forest, savannas, deserts, temperate grassland, deciduous forest, coniferous forest, tundra, and chaparral. The carbon cycle is an important mechanism in the coupling of terrestrial ecosystems with climate through biological fluxes of CO 2 . The influence of terrestrial ecosystems on atmospheric CO 2 can be modeled via several means at different timescales. Important processes include plant dynamics, change in land use, as well as ecosystem biogeography. Over the past several decades, many terrestrial ecosystem models (see the 'Model developments' section) have been developed to understand the interactions between terrestrial carbon storage and CO 2 concentration in the atmosphere, as well as the consequences of these interactions. Early TECMs generally adapted simple box-flow exchange models, in which photosynthetic CO 2 uptake and respiratory CO 2 release are simulated in an empirical manner with a small number of vegetation and soil carbon pools. Demands on kinds and amount of information required from global TECMs have grown. Recently, along with the rapid development of parallel computing, spatially explicit TECMs with detailed process based representations of carbon dynamics become attractive, because those models can readily incorporate a variety of additional ecosystem processes (such as dispersal, establishment, growth, mortality etc.) and environmental factors (such as landscape position, pest populations, disturbances, resource manipulations, etc.), and provide information to frame policy options for climate change

  10. Modeling of Communication in a Computational Situation Assessment Model

    International Nuclear Information System (INIS)

    Lee, Hyun Chul; Seong, Poong Hyun

    2009-01-01

    Operators in nuclear power plants have to acquire information from human system interfaces (HSIs) and the environment in order to create, update, and confirm their understanding of a plant state, or situation awareness, because failures of situation assessment may result in wrong decisions for process control and finally errors of commission in nuclear power plants. Quantitative or prescriptive models to predict operator's situation assessment in a situation, the results of situation assessment, provide many benefits such as HSI design solutions, human performance data, and human reliability. Unfortunately, a few computational situation assessment models for NPP operators have been proposed and those insufficiently embed human cognitive characteristics. Thus we proposed a new computational situation assessment model of nuclear power plant operators. The proposed model incorporating significant cognitive factors uses a Bayesian belief network (BBN) as model architecture. It is believed that communication between nuclear power plant operators affects operators' situation assessment and its result, situation awareness. We tried to verify that the proposed model represent the effects of communication on situation assessment. As the result, the proposed model succeeded in representing the operators' behavior and this paper shows the details

  11. Model to Implement Virtual Computing Labs via Cloud Computing Services

    OpenAIRE

    Washington Luna Encalada; José Luis Castillo Sequera

    2017-01-01

    In recent years, we have seen a significant number of new technological ideas appearing in literature discussing the future of education. For example, E-learning, cloud computing, social networking, virtual laboratories, virtual realities, virtual worlds, massive open online courses (MOOCs), and bring your own device (BYOD) are all new concepts of immersive and global education that have emerged in educational literature. One of the greatest challenges presented to e-learning solutions is the...

  12. An ODP computational model of a cooperative binding object

    Science.gov (United States)

    Logé, Christophe; Najm, Elie; Chen, Ken

    1997-12-01

    A next generation of systems that should appear will have to manage simultaneously several geographically distributed users. These systems belong to the class of computer-supported cooperative work systems (CSCW). The development of such complex systems requires rigorous development methods and flexible open architectures. Open distributed processing (ODP) is a standardization effort that aims at providing such architectures. ODP features appropriate abstraction levels and a clear articulation between requirements, programming and infrastructure support. ODP advocates the use of formal methods for the specification of systems and components. The computational model, an object-based model, one of the abstraction levels identified within ODP, plays a central role in the global architecture. In this model, basic objects can be composed with communication and distribution abstractions (called binding objects) to form a computational specification of distributed systems, or applications. Computational specifications can then be mapped (in a mechanism akin to compilation) onto an engineering solution. We use an ODP-inspired method to computationally specify a cooperative system. We start from a general purpose component that we progressively refine into a collection of basic and binding objects. We focus on two issues of a co-authoring application, namely, dynamic reconfiguration and multiview synchronization. We discuss solutions for these issues and formalize them using the MT-LOTOS specification language that is currently studied in the ISO standardization formal description techniques group.

  13. Computational studies of BEGe detectors

    Energy Technology Data Exchange (ETDEWEB)

    Salathe, Marco [Max Planck Institut fuer Kernphysik, Heidelberg (Germany)

    2013-07-01

    The GERDA experiment searches for the neutrinoless double beta decay within the active volume of germanium detectors. Simulations of the physical processes within such detectors are vital to gain a better understanding of the measurements. The simulation procedure follows three steps: First it calculates the electric potential, next it simulates the electron and hole drift within the germanium crystal and finally it generates a corresponding signal. The GERDA collaboration recently characterized newly produced Broad Energy Germanium Detectors (BEGe) in the HADES underground laboratory in Mol, Belgium. A new pulse shape simulation library was established to examine the results of these measurements. The library has also proven to be a very powerful tool for other applications such as detector optimisation studies. The pulse shape library is based on ADL 3.0 (B. Bruyneel, B. Birkenbach, http://www.ikp.uni-koeln.de/research/agata/download.php) and m3dcr (D. Radford, http://radware.phy.ornl.gov/MJ/m3dcr).

  14. Computational Studies of Drug Resistance

    DEFF Research Database (Denmark)

    da Silva Martins, João Miguel

    Drug resistance has been an increasing problem in patient treatment and drug development. Starting in the last century and becoming a major worry in the medical and scienti c communities in the early part of the current millennium, major research must be performed to address the issues of viral...... is of the utmost importance in developing better and less resistance-inducing drugs. A drug's in uence can be characterized in many diff erent ways, however, and the approaches I take in this work re ect those same different in uences. This is what I try to achieve in this work, through seemingly unrelated...... approaches that come together in the study of drug's and their in uence on proteins and vice-versa. In part I, I aim to understand through combined theoretical ensemble analysis and free energy calculations the e ects mutations have over the binding anity and function of the M2 proton channel. This research...

  15. Computer modelling of eddy current probes

    International Nuclear Information System (INIS)

    Sullivan, S.P.

    1992-01-01

    Computer programs have been developed for modelling impedance and transmit-receive eddy current probes in two-dimensional axis-symmetric configurations. These programs, which are based on analytic equations, simulate bobbin probes in infinitely long tubes and surface probes on plates. They calculate probe signal due to uniform variations in conductor thickness, resistivity and permeability. These signals depend on probe design and frequency. A finite element numerical program has been procured to calculate magnetic permeability in non-linear ferromagnetic materials. Permeability values from these calculations can be incorporated into the above analytic programs to predict signals from eddy current probes with permanent magnets in ferromagnetic tubes. These programs were used to test various probe designs for new testing applications. Measurements of magnetic permeability in magnetically biased ferromagnetic materials have been performed by superimposing experimental signals, from special laboratory ET probes, on impedance plane diagrams calculated using these programs. (author). 3 refs., 2 figs

  16. The MESORAD dose assessment model: Computer code

    International Nuclear Information System (INIS)

    Ramsdell, J.V.; Athey, G.F.; Bander, T.J.; Scherpelz, R.I.

    1988-10-01

    MESORAD is a dose equivalent model for emergency response applications that is designed to be run on minicomputers. It has been developed by the Pacific Northwest Laboratory for use as part of the Intermediate Dose Assessment System in the US Nuclear Regulatory Commission Operations Center in Washington, DC, and the Emergency Management System in the US Department of Energy Unified Dose Assessment Center in Richland, Washington. This volume describes the MESORAD computer code and contains a listing of the code. The technical basis for MESORAD is described in the first volume of this report (Scherpelz et al. 1986). A third volume of the documentation planned. That volume will contain utility programs and input and output files that can be used to check the implementation of MESORAD. 18 figs., 4 tabs

  17. Computational Process Modeling for Additive Manufacturing (OSU)

    Science.gov (United States)

    Bagg, Stacey; Zhang, Wei

    2015-01-01

    Powder-Bed Additive Manufacturing (AM) through Direct Metal Laser Sintering (DMLS) or Selective Laser Melting (SLM) is being used by NASA and the Aerospace industry to "print" parts that traditionally are very complex, high cost, or long schedule lead items. The process spreads a thin layer of metal powder over a build platform, then melts the powder in a series of welds in a desired shape. The next layer of powder is applied, and the process is repeated until layer-by-layer, a very complex part can be built. This reduces cost and schedule by eliminating very complex tooling and processes traditionally used in aerospace component manufacturing. To use the process to print end-use items, NASA seeks to understand SLM material well enough to develop a method of qualifying parts for space flight operation. Traditionally, a new material process takes many years and high investment to generate statistical databases and experiential knowledge, but computational modeling can truncate the schedule and cost -many experiments can be run quickly in a model, which would take years and a high material cost to run empirically. This project seeks to optimize material build parameters with reduced time and cost through modeling.

  18. Computer modeling of inelastic wave propagation in porous rock

    International Nuclear Information System (INIS)

    Cheney, J.A.; Schatz, J.F.; Snell, C.

    1979-01-01

    Computer modeling of wave propagation in porous rock has several important applications. Among them are prediction of fragmentation and permeability changes to be caused by chemical explosions used for in situ resource recovery, and the understanding of nuclear explosion effects such as seismic wave generation, containment, and site hardness. Of interest in all these applications are the distance from the source to which inelastic effects persist and the amount of porosity change within the inelastic region. In order to study phenomena related to these applications, the Cam Clay family of models developed at Cambridge University was used to develop a similar model that is applicable to wave propagation in porous rock. That model was incorporated into a finite-difference wave propagation computer code SOC. 10 figures, 1 table

  19. Computational model of collagen turnover in carotid arteries during hypertension.

    Science.gov (United States)

    Sáez, P; Peña, E; Tarbell, J M; Martínez, M A

    2015-02-01

    It is well known that biological tissues adapt their properties because of different mechanical and chemical stimuli. The goal of this work is to study the collagen turnover in the arterial tissue of hypertensive patients through a coupled computational mechano-chemical model. Although it has been widely studied experimentally, computational models dealing with the mechano-chemical approach are not. The present approach can be extended easily to study other aspects of bone remodeling or collagen degradation in heart diseases. The model can be divided into three different stages. First, we study the smooth muscle cell synthesis of different biological substances due to over-stretching during hypertension. Next, we study the mass-transport of these substances along the arterial wall. The last step is to compute the turnover of collagen based on the amount of these substances in the arterial wall which interact with each other to modify the turnover rate of collagen. We simulate this process in a finite element model of a real human carotid artery. The final results show the well-known stiffening of the arterial wall due to the increase in the collagen content. Copyright © 2015 John Wiley & Sons, Ltd.

  20. Blackboard architecture and qualitative model in a computer aided assistant designed to define computers for HEP computing

    International Nuclear Information System (INIS)

    Nodarse, F.F.; Ivanov, V.G.

    1991-01-01

    Using BLACKBOARD architecture and qualitative model, an expert systm was developed to assist the use in defining the computers method for High Energy Physics computing. The COMEX system requires an IBM AT personal computer or compatible with than 640 Kb RAM and hard disk. 5 refs.; 9 figs

  1. Automatic Model Generation Framework for Computational Simulation of Cochlear Implantation.

    Science.gov (United States)

    Mangado, Nerea; Ceresa, Mario; Duchateau, Nicolas; Kjer, Hans Martin; Vera, Sergio; Dejea Velardo, Hector; Mistrik, Pavel; Paulsen, Rasmus R; Fagertun, Jens; Noailly, Jérôme; Piella, Gemma; González Ballester, Miguel Ángel

    2016-08-01

    Recent developments in computational modeling of cochlear implantation are promising to study in silico the performance of the implant before surgery. However, creating a complete computational model of the patient's anatomy while including an external device geometry remains challenging. To address such a challenge, we propose an automatic framework for the generation of patient-specific meshes for finite element modeling of the implanted cochlea. First, a statistical shape model is constructed from high-resolution anatomical μCT images. Then, by fitting the statistical model to a patient's CT image, an accurate model of the patient-specific cochlea anatomy is obtained. An algorithm based on the parallel transport frame is employed to perform the virtual insertion of the cochlear implant. Our automatic framework also incorporates the surrounding bone and nerve fibers and assigns constitutive parameters to all components of the finite element model. This model can then be used to study in silico the effects of the electrical stimulation of the cochlear implant. Results are shown on a total of 25 models of patients. In all cases, a final mesh suitable for finite element simulations was obtained, in an average time of 94 s. The framework has proven to be fast and robust, and is promising for a detailed prognosis of the cochlear implantation surgery.

  2. Improved Flow Modeling in Transient Reactor Safety Analysis Computer Codes

    International Nuclear Information System (INIS)

    Holowach, M.J.; Hochreiter, L.E.; Cheung, F.B.

    2002-01-01

    A method of accounting for fluid-to-fluid shear in between calculational cells over a wide range of flow conditions envisioned in reactor safety studies has been developed such that it may be easily implemented into a computer code such as COBRA-TF for more detailed subchannel analysis. At a given nodal height in the calculational model, equivalent hydraulic diameters are determined for each specific calculational cell using either laminar or turbulent velocity profiles. The velocity profile may be determined from a separate CFD (Computational Fluid Dynamics) analysis, experimental data, or existing semi-empirical relationships. The equivalent hydraulic diameter is then applied to the wall drag force calculation so as to determine the appropriate equivalent fluid-to-fluid shear caused by the wall for each cell based on the input velocity profile. This means of assigning the shear to a specific cell is independent of the actual wetted perimeter and flow area for the calculational cell. The use of this equivalent hydraulic diameter for each cell within a calculational subchannel results in a representative velocity profile which can further increase the accuracy and detail of heat transfer and fluid flow modeling within the subchannel when utilizing a thermal hydraulics systems analysis computer code such as COBRA-TF. Utilizing COBRA-TF with the flow modeling enhancement results in increased accuracy for a coarse-mesh model without the significantly greater computational and time requirements of a full-scale 3D (three-dimensional) transient CFD calculation. (authors)

  3. Distributed parallel computing in stochastic modeling of groundwater systems.

    Science.gov (United States)

    Dong, Yanhui; Li, Guomin; Xu, Haizhen

    2013-03-01

    Stochastic modeling is a rapidly evolving, popular approach to the study of the uncertainty and heterogeneity of groundwater systems. However, the use of Monte Carlo-type simulations to solve practical groundwater problems often encounters computational bottlenecks that hinder the acquisition of meaningful results. To improve the computational efficiency, a system that combines stochastic model generation with MODFLOW-related programs and distributed parallel processing is investigated. The distributed computing framework, called the Java Parallel Processing Framework, is integrated into the system to allow the batch processing of stochastic models in distributed and parallel systems. As an example, the system is applied to the stochastic delineation of well capture zones in the Pinggu Basin in Beijing. Through the use of 50 processing threads on a cluster with 10 multicore nodes, the execution times of 500 realizations are reduced to 3% compared with those of a serial execution. Through this application, the system demonstrates its potential in solving difficult computational problems in practical stochastic modeling. © 2012, The Author(s). Groundwater © 2012, National Ground Water Association.

  4. The use of conduction model in laser weld profile computation

    Science.gov (United States)

    Grabas, Bogusław

    2007-02-01

    Profiles of joints resulting from deep penetration laser beam welding of a flat workpiece of carbon steel were computed. A semi-analytical conduction model solved with Green's function method was used in computations. In the model, the moving heat source was attenuated exponentially in accordance with Beer-Lambert law. Computational results were compared with those in the experiment.

  5. Performance of Air Pollution Models on Massively Parallel Computers

    DEFF Research Database (Denmark)

    Brown, John; Hansen, Per Christian; Wasniewski, Jerzy

    1996-01-01

    To compare the performance and use of three massively parallel SIMD computers, we implemented a large air pollution model on the computers. Using a realistic large-scale model, we gain detailed insight about the performance of the three computers when used to solve large-scale scientific problems...

  6. A Generative Computer Model for Preliminary Design of Mass Housing

    Directory of Open Access Journals (Sweden)

    Ahmet Emre DİNÇER

    2014-05-01

    Full Text Available Today, we live in what we call the “Information Age”, an age in which information technologies are constantly being renewed and developed. Out of this has emerged a new approach called “Computational Design” or “Digital Design”. In addition to significantly influencing all fields of engineering, this approach has come to play a similar role in all stages of the design process in the architectural field. In providing solutions for analytical problems in design such as cost estimate, circulation systems evaluation and environmental effects, which are similar to engineering problems, this approach is being used in the evaluation, representation and presentation of traditionally designed buildings. With developments in software and hardware technology, it has evolved as the studies based on design of architectural products and production implementations with digital tools used for preliminary design stages. This paper presents a digital model which may be used in the preliminary stage of mass housing design with Cellular Automata, one of generative design systems based on computational design approaches. This computational model, developed by scripts of 3Ds Max software, has been implemented on a site plan design of mass housing, floor plan organizations made by user preferences and facade designs. By using the developed computer model, many alternative housing types could be rapidly produced. The interactive design tool of this computational model allows the user to transfer dimensional and functional housing preferences by means of the interface prepared for model. The results of the study are discussed in the light of innovative architectural approaches.

  7. Random matrix model of adiabatic quantum computing

    International Nuclear Information System (INIS)

    Mitchell, David R.; Adami, Christoph; Lue, Waynn; Williams, Colin P.

    2005-01-01

    We present an analysis of the quantum adiabatic algorithm for solving hard instances of 3-SAT (an NP-complete problem) in terms of random matrix theory (RMT). We determine the global regularity of the spectral fluctuations of the instantaneous Hamiltonians encountered during the interpolation between the starting Hamiltonians and the ones whose ground states encode the solutions to the computational problems of interest. At each interpolation point, we quantify the degree of regularity of the average spectral distribution via its Brody parameter, a measure that distinguishes regular (i.e., Poissonian) from chaotic (i.e., Wigner-type) distributions of normalized nearest-neighbor spacings. We find that for hard problem instances - i.e., those having a critical ratio of clauses to variables - the spectral fluctuations typically become irregular across a contiguous region of the interpolation parameter, while the spectrum is regular for easy instances. Within the hard region, RMT may be applied to obtain a mathematical model of the probability of avoided level crossings and concomitant failure rate of the adiabatic algorithm due to nonadiabatic Landau-Zener-type transitions. Our model predicts that if the interpolation is performed at a uniform rate, the average failure rate of the quantum adiabatic algorithm, when averaged over hard problem instances, scales exponentially with increasing problem size

  8. Undergraduate students’ challenges with computational modelling in physics

    Directory of Open Access Journals (Sweden)

    Simen A. Sørby

    2012-12-01

    Full Text Available In later years, computational perspectives have become essential parts in several of the University of Oslo’s natural science studies. In this paper we discuss some main findings from a qualitative study of the computational perspectives’ impact on the students’ work with their first course in physics– mechanics – and their learning and meaning making of its contents. Discussions of the students’ learning of physics are based on sociocultural theory, which originates in Vygotsky and Bakhtin, and subsequent physics education research. Results imply that the greatest challenge for students when working with computational assignments is to combine knowledge from previously known, but separate contexts. Integrating knowledge of informatics, numerical and analytical mathematics and conceptual understanding of physics appears as a clear challenge for the students. We also observe alack of awareness concerning the limitations of physical modelling. The students need help with identifying the appropriate knowledge system or “tool set”, for the different tasks at hand; they need helpto create a plan for their modelling and to become aware of its limits. In light of this, we propose thatan instructive and dialogic text as basis for the exercises, in which the emphasis is on specification, clarification and elaboration, would be of potential great aid for students who are new to computational modelling.

  9. A System Computational Model of Implicit Emotional Learning.

    Science.gov (United States)

    Puviani, Luca; Rama, Sidita

    2016-01-01

    Nowadays, the experimental study of emotional learning is commonly based on classical conditioning paradigms and models, which have been thoroughly investigated in the last century. Unluckily, models based on classical conditioning are unable to explain or predict important psychophysiological phenomena, such as the failure of the extinction of emotional responses in certain circumstances (for instance, those observed in evaluative conditioning, in post-traumatic stress disorders and in panic attacks). In this manuscript, starting from the experimental results available from the literature, a computational model of implicit emotional learning based both on prediction errors computation and on statistical inference is developed. The model quantitatively predicts (a) the occurrence of evaluative conditioning, (b) the dynamics and the resistance-to-extinction of the traumatic emotional responses, (c) the mathematical relation between classical conditioning and unconditioned stimulus revaluation. Moreover, we discuss how the derived computational model can lead to the development of new animal models for resistant-to-extinction emotional reactions and novel methodologies of emotions modulation.

  10. A Parallel and Distributed Surrogate Model Implementation for Computational Steering

    KAUST Repository

    Butnaru, Daniel; Buse, Gerrit; Pfluger, Dirk

    2012-01-01

    of the input parameters. Such an exploration process is however not possible if the simulation is computationally too expensive. For these cases we present in this paper a scalable computational steering approach utilizing a fast surrogate model as substitute

  11. Computer models for kinetic equations of magnetically confined plasmas

    International Nuclear Information System (INIS)

    Killeen, J.; Kerbel, G.D.; McCoy, M.G.; Mirin, A.A.; Horowitz, E.J.; Shumaker, D.E.

    1987-01-01

    This paper presents four working computer models developed by the computational physics group of the National Magnetic Fusion Energy Computer Center. All of the models employ a kinetic description of plasma species. Three of the models are collisional, i.e., they include the solution of the Fokker-Planck equation in velocity space. The fourth model is collisionless and treats the plasma ions by a fully three-dimensional particle-in-cell method

  12. Computational Models Used to Assess US Tobacco Control Policies.

    Science.gov (United States)

    Feirman, Shari P; Glasser, Allison M; Rose, Shyanika; Niaura, Ray; Abrams, David B; Teplitskaya, Lyubov; Villanti, Andrea C

    2017-11-01

    Simulation models can be used to evaluate existing and potential tobacco control interventions, including policies. The purpose of this systematic review was to synthesize evidence from computational models used to project population-level effects of tobacco control interventions. We provide recommendations to strengthen simulation models that evaluate tobacco control interventions. Studies were eligible for review if they employed a computational model to predict the expected effects of a non-clinical US-based tobacco control intervention. We searched five electronic databases on July 1, 2013 with no date restrictions and synthesized studies qualitatively. Six primary non-clinical intervention types were examined across the 40 studies: taxation, youth prevention, smoke-free policies, mass media campaigns, marketing/advertising restrictions, and product regulation. Simulation models demonstrated the independent and combined effects of these interventions on decreasing projected future smoking prevalence. Taxation effects were the most robust, as studies examining other interventions exhibited substantial heterogeneity with regard to the outcomes and specific policies examined across models. Models should project the impact of interventions on overall tobacco use, including nicotine delivery product use, to estimate preventable health and cost-saving outcomes. Model validation, transparency, more sophisticated models, and modeling policy interactions are also needed to inform policymakers to make decisions that will minimize harm and maximize health. In this systematic review, evidence from multiple studies demonstrated the independent effect of taxation on decreasing future smoking prevalence, and models for other tobacco control interventions showed that these strategies are expected to decrease smoking, benefit population health, and are reasonable to implement from a cost perspective. Our recommendations aim to help policymakers and researchers minimize harm and

  13. Children, computer exposure and musculoskeletal outcomes: the development of pathway models for school and home computer-related musculoskeletal outcomes.

    Science.gov (United States)

    Harris, Courtenay; Straker, Leon; Pollock, Clare; Smith, Anne

    2015-01-01

    Children's computer use is rapidly growing, together with reports of related musculoskeletal outcomes. Models and theories of adult-related risk factors demonstrate multivariate risk factors associated with computer use. Children's use of computers is different from adult's computer use at work. This study developed and tested a child-specific model demonstrating multivariate relationships between musculoskeletal outcomes, computer exposure and child factors. Using pathway modelling, factors such as gender, age, television exposure, computer anxiety, sustained attention (flow), socio-economic status and somatic complaints (headache and stomach pain) were found to have effects on children's reports of musculoskeletal symptoms. The potential for children's computer exposure to follow a dose-response relationship was also evident. Developing a child-related model can assist in understanding risk factors for children's computer use and support the development of recommendations to encourage children to use this valuable resource in educational, recreational and communication environments in a safe and productive manner. Computer use is an important part of children's school and home life. Application of this developed model, that encapsulates related risk factors, enables practitioners, researchers, teachers and parents to develop strategies that assist young people to use information technology for school, home and leisure in a safe and productive manner.

  14. Ontological and Epistemological Issues Regarding Climate Models and Computer Experiments

    Science.gov (United States)

    Vezer, M. A.

    2010-12-01

    Recent philosophical discussions (Parker 2009; Frigg and Reiss 2009; Winsberg, 2009; Morgon 2002, 2003, 2005; Gula 2002) about the ontology of computer simulation experiments and the epistemology of inferences drawn from them are of particular relevance to climate science as computer modeling and analysis are instrumental in understanding climatic systems. How do computer simulation experiments compare with traditional experiments? Is there an ontological difference between these two methods of inquiry? Are there epistemological considerations that result in one type of inference being more reliable than the other? What are the implications of these questions with respect to climate studies that rely on computer simulation analysis? In this paper, I examine these philosophical questions within the context of climate science, instantiating concerns in the philosophical literature with examples found in analysis of global climate change. I concentrate on Wendy Parker’s (2009) account of computer simulation studies, which offers a treatment of these and other questions relevant to investigations of climate change involving such modelling. Two theses at the center of Parker’s account will be the focus of this paper. The first is that computer simulation experiments ought to be regarded as straightforward material experiments; which is to say, there is no significant ontological difference between computer and traditional experimentation. Parker’s second thesis is that some of the emphasis on the epistemological importance of materiality has been misplaced. I examine both of these claims. First, I inquire as to whether viewing computer and traditional experiments as ontologically similar in the way she does implies that there is no proper distinction between abstract experiments (such as ‘thought experiments’ as well as computer experiments) and traditional ‘concrete’ ones. Second, I examine the notion of materiality (i.e., the material commonality between

  15. Cardioplegia heat exchanger design modelling using computational fluid dynamics.

    Science.gov (United States)

    van Driel, M R

    2000-11-01

    A new cardioplegia heat exchanger has been developed by Sorin Biomedica. A three-dimensional computer-aided design (CAD) model was optimized using computational fluid dynamics (CFD) modelling. CFD optimization techniques have commonly been applied to velocity flow field analysis, but CFD analysis was also used in this study to predict the heat exchange performance of the design before prototype fabrication. The iterative results of the optimization and the actual heat exchange performance of the final configuration are presented in this paper. Based on the behaviour of this model, both the water and blood fluid flow paths of the heat exchanger were optimized. The simulation predicted superior heat exchange performance using an optimal amount of energy exchange surface area, reducing the total contact surface area, the device priming volume and the material costs. Experimental results confirm the empirical results predicted by the CFD analysis.

  16. Computationally efficient statistical differential equation modeling using homogenization

    Science.gov (United States)

    Hooten, Mevin B.; Garlick, Martha J.; Powell, James A.

    2013-01-01

    Statistical models using partial differential equations (PDEs) to describe dynamically evolving natural systems are appearing in the scientific literature with some regularity in recent years. Often such studies seek to characterize the dynamics of temporal or spatio-temporal phenomena such as invasive species, consumer-resource interactions, community evolution, and resource selection. Specifically, in the spatial setting, data are often available at varying spatial and temporal scales. Additionally, the necessary numerical integration of a PDE may be computationally infeasible over the spatial support of interest. We present an approach to impose computationally advantageous changes of support in statistical implementations of PDE models and demonstrate its utility through simulation using a form of PDE known as “ecological diffusion.” We also apply a statistical ecological diffusion model to a data set involving the spread of mountain pine beetle (Dendroctonus ponderosae) in Idaho, USA.

  17. Computational Models for Analysis of Illicit Activities

    DEFF Research Database (Denmark)

    Nizamani, Sarwat

    been explored in this thesis by considering them as epidemic-like processes. A mathematical model has been developed based on differential equations, which studies the dynamics of the issues from the very beginning until the issues cease. This study extends classical models of the spread of epidemics...... to describe the phenomenon of contagious public outrage, which eventually leads to the spread of violence following a disclosure of some unpopular political decisions and/or activity. The results shed a new light on terror activity and provide some hint on how to curb the spreading of violence within...

  18. Computer-aided modeling framework – a generic modeling template

    DEFF Research Database (Denmark)

    Fedorova, Marina; Sin, Gürkan; Gani, Rafiqul

    and test models systematically, efficiently and reliably. In this way, development of products and processes can be made faster, cheaper and more efficient. In this contribution, as part of the framework, a generic modeling template for the systematic derivation of problem specific models is presented....... The application of the modeling template is highlighted with a case study related to the modeling of a catalytic membrane reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene...

  19. US QCD computational performance studies with PERI

    International Nuclear Information System (INIS)

    Zhang, Y; Fowler, R; Huck, K; Malony, A; Porterfield, A; Reed, D; Shende, S; Taylor, V; Wu, X

    2007-01-01

    We report on some of the interactions between two SciDAC projects: The National Computational Infrastructure for Lattice Gauge Theory (USQCD), and the Performance Engineering Research Institute (PERI). Many modern scientific programs consistently report the need for faster computational resources to maintain global competitiveness. However, as the size and complexity of emerging high end computing (HEC) systems continue to rise, achieving good performance on such systems is becoming ever more challenging. In order to take full advantage of the resources, it is crucial to understand the characteristics of relevant scientific applications and the systems these applications are running on. Using tools developed under PERI and by other performance measurement researchers, we studied the performance of two applications, MILC and Chroma, on several high performance computing systems at DOE laboratories. In the case of Chroma, we discuss how the use of C++ and modern software engineering and programming methods are driving the evolution of performance tools

  20. Editorial: Modelling and computational challenges in granular materials

    OpenAIRE

    Weinhart, Thomas; Thornton, Anthony Richard; Einav, Itai

    2015-01-01

    This is the editorial for the special issue on “Modelling and computational challenges in granular materials” in the journal on Computational Particle Mechanics (CPM). The issue aims to provide an opportunity for physicists, engineers, applied mathematicians and computational scientists to discuss the current progress and latest advancements in the field of advanced numerical methods and modelling of granular materials. The focus will be on computational methods, improved algorithms and the m...

  1. Mathematical modeling and computational prediction of cancer drug resistance.

    Science.gov (United States)

    Sun, Xiaoqiang; Hu, Bin

    2017-06-23

    Diverse forms of resistance to anticancer drugs can lead to the failure of chemotherapy. Drug resistance is one of the most intractable issues for successfully treating cancer in current clinical practice. Effective clinical approaches that could counter drug resistance by restoring the sensitivity of tumors to the targeted agents are urgently needed. As numerous experimental results on resistance mechanisms have been obtained and a mass of high-throughput data has been accumulated, mathematical modeling and computational predictions using systematic and quantitative approaches have become increasingly important, as they can potentially provide deeper insights into resistance mechanisms, generate novel hypotheses or suggest promising treatment strategies for future testing. In this review, we first briefly summarize the current progress of experimentally revealed resistance mechanisms of targeted therapy, including genetic mechanisms, epigenetic mechanisms, posttranslational mechanisms, cellular mechanisms, microenvironmental mechanisms and pharmacokinetic mechanisms. Subsequently, we list several currently available databases and Web-based tools related to drug sensitivity and resistance. Then, we focus primarily on introducing some state-of-the-art computational methods used in drug resistance studies, including mechanism-based mathematical modeling approaches (e.g. molecular dynamics simulation, kinetic model of molecular networks, ordinary differential equation model of cellular dynamics, stochastic model, partial differential equation model, agent-based model, pharmacokinetic-pharmacodynamic model, etc.) and data-driven prediction methods (e.g. omics data-based conventional screening approach for node biomarkers, static network approach for edge biomarkers and module biomarkers, dynamic network approach for dynamic network biomarkers and dynamic module network biomarkers, etc.). Finally, we discuss several further questions and future directions for the use of

  2. Computational Studies of Snake Venom Toxins.

    Science.gov (United States)

    Ojeda, Paola G; Ramírez, David; Alzate-Morales, Jans; Caballero, Julio; Kaas, Quentin; González, Wendy

    2017-12-22

    Most snake venom toxins are proteins, and participate to envenomation through a diverse array of bioactivities, such as bleeding, inflammation, and pain, cytotoxic, cardiotoxic or neurotoxic effects. The venom of a single snake species contains hundreds of toxins, and the venoms of the 725 species of venomous snakes represent a large pool of potentially bioactive proteins. Despite considerable discovery efforts, most of the snake venom toxins are still uncharacterized. Modern bioinformatics tools have been recently developed to mine snake venoms, helping focus experimental research on the most potentially interesting toxins. Some computational techniques predict toxin molecular targets, and the binding mode to these targets. This review gives an overview of current knowledge on the ~2200 sequences, and more than 400 three-dimensional structures of snake toxins deposited in public repositories, as well as of molecular modeling studies of the interaction between these toxins and their molecular targets. We also describe how modern bioinformatics have been used to study the snake venom protein phospholipase A2, the small basic myotoxin Crotamine, and the three-finger peptide Mambalgin.

  3. Computational Studies of Snake Venom Toxins

    Directory of Open Access Journals (Sweden)

    Paola G. Ojeda

    2017-12-01

    Full Text Available Most snake venom toxins are proteins, and participate to envenomation through a diverse array of bioactivities, such as bleeding, inflammation, and pain, cytotoxic, cardiotoxic or neurotoxic effects. The venom of a single snake species contains hundreds of toxins, and the venoms of the 725 species of venomous snakes represent a large pool of potentially bioactive proteins. Despite considerable discovery efforts, most of the snake venom toxins are still uncharacterized. Modern bioinformatics tools have been recently developed to mine snake venoms, helping focus experimental research on the most potentially interesting toxins. Some computational techniques predict toxin molecular targets, and the binding mode to these targets. This review gives an overview of current knowledge on the ~2200 sequences, and more than 400 three-dimensional structures of snake toxins deposited in public repositories, as well as of molecular modeling studies of the interaction between these toxins and their molecular targets. We also describe how modern bioinformatics have been used to study the snake venom protein phospholipase A2, the small basic myotoxin Crotamine, and the three-finger peptide Mambalgin.

  4. Reliability studies by fast electronic simulation. Realization of an apparatus of configuration made by computer in function of the model to study

    International Nuclear Information System (INIS)

    Jurvillier, I.

    1991-01-01

    Here is a reliability study concerning nuclear facilities; from the operating system scheme studies lead to the elaboration of an apparatus called ESCAF, actually commercialized, allowing the analysis of the most complex systems. These studies were made at the demand of safety evaluation services of the CEA who have to give a technical advice to the authorities able to deliver the authorization of building and operating nuclear power plants

  5. Model Selection in Historical Research Using Approximate Bayesian Computation

    Science.gov (United States)

    Rubio-Campillo, Xavier

    2016-01-01

    Formal Models and History Computational models are increasingly being used to study historical dynamics. This new trend, which could be named Model-Based History, makes use of recently published datasets and innovative quantitative methods to improve our understanding of past societies based on their written sources. The extensive use of formal models allows historians to re-evaluate hypotheses formulated decades ago and still subject to debate due to the lack of an adequate quantitative framework. The initiative has the potential to transform the discipline if it solves the challenges posed by the study of historical dynamics. These difficulties are based on the complexities of modelling social interaction, and the methodological issues raised by the evaluation of formal models against data with low sample size, high variance and strong fragmentation. Case Study This work examines an alternate approach to this evaluation based on a Bayesian-inspired model selection method. The validity of the classical Lanchester’s laws of combat is examined against a dataset comprising over a thousand battles spanning 300 years. Four variations of the basic equations are discussed, including the three most common formulations (linear, squared, and logarithmic) and a new variant introducing fatigue. Approximate Bayesian Computation is then used to infer both parameter values and model selection via Bayes Factors. Impact Results indicate decisive evidence favouring the new fatigue model. The interpretation of both parameter estimations and model selection provides new insights into the factors guiding the evolution of warfare. At a methodological level, the case study shows how model selection methods can be used to guide historical research through the comparison between existing hypotheses and empirical evidence. PMID:26730953

  6. Vehicle - Bridge interaction, comparison of two computing models

    Science.gov (United States)

    Melcer, Jozef; Kuchárová, Daniela

    2017-07-01

    The paper presents the calculation of the bridge response on the effect of moving vehicle moves along the bridge with various velocities. The multi-body plane computing model of vehicle is adopted. The bridge computing models are created in two variants. One computing model represents the bridge as the Bernoulli-Euler beam with continuously distributed mass and the second one represents the bridge as the lumped mass model with 1 degrees of freedom. The mid-span bridge dynamic deflections are calculated for both computing models. The results are mutually compared and quantitative evaluated.

  7. A cost modelling system for cloud computing

    OpenAIRE

    Ajeh, Daniel; Ellman, Jeremy; Keogh, Shelagh

    2014-01-01

    An advance in technology unlocks new opportunities for organizations to increase their productivity, efficiency and process automation while reducing the cost of doing business as well. The emergence of cloud computing addresses these prospects through the provision of agile systems that are scalable, flexible and reliable as well as cost effective. Cloud computing has made hosting and deployment of computing resources cheaper and easier with no up-front charges but pay per-use flexible payme...

  8. International Nuclear Model personal computer (PCINM): Model documentation

    International Nuclear Information System (INIS)

    1992-08-01

    The International Nuclear Model (INM) was developed to assist the Energy Information Administration (EIA), U.S. Department of Energy (DOE) in producing worldwide projections of electricity generation, fuel cycle requirements, capacities, and spent fuel discharges from commercial nuclear reactors. The original INM was developed, maintained, and operated on a mainframe computer system. In spring 1992, a streamlined version of INM was created for use on a microcomputer utilizing CLIPPER and PCSAS software. This new version is known as PCINM. This documentation is based on the new PCINM version. This document is designed to satisfy the requirements of several categories of users of the PCINM system including technical analysts, theoretical modelers, and industry observers. This document assumes the reader is familiar with the nuclear fuel cycle and each of its components. This model documentation contains four chapters and seven appendices. Chapter Two presents the model overview containing the PCINM structure and process flow, the areas for which projections are made, and input data and output reports. Chapter Three presents the model technical specifications showing all model equations, algorithms, and units of measure. Chapter Four presents an overview of all parameters, variables, and assumptions used in PCINM. The appendices present the following detailed information: variable and parameter listings, variable and equation cross reference tables, source code listings, file layouts, sample report outputs, and model run procedures. 2 figs

  9. Predictive Capability Maturity Model for computational modeling and simulation.

    Energy Technology Data Exchange (ETDEWEB)

    Oberkampf, William Louis; Trucano, Timothy Guy; Pilch, Martin M.

    2007-10-01

    The Predictive Capability Maturity Model (PCMM) is a new model that can be used to assess the level of maturity of computational modeling and simulation (M&S) efforts. The development of the model is based on both the authors experience and their analysis of similar investigations in the past. The perspective taken in this report is one of judging the usefulness of a predictive capability that relies on the numerical solution to partial differential equations to better inform and improve decision making. The review of past investigations, such as the Software Engineering Institute's Capability Maturity Model Integration and the National Aeronautics and Space Administration and Department of Defense Technology Readiness Levels, indicates that a more restricted, more interpretable method is needed to assess the maturity of an M&S effort. The PCMM addresses six contributing elements to M&S: (1) representation and geometric fidelity, (2) physics and material model fidelity, (3) code verification, (4) solution verification, (5) model validation, and (6) uncertainty quantification and sensitivity analysis. For each of these elements, attributes are identified that characterize four increasing levels of maturity. Importantly, the PCMM is a structured method for assessing the maturity of an M&S effort that is directed toward an engineering application of interest. The PCMM does not assess whether the M&S effort, the accuracy of the predictions, or the performance of the engineering system satisfies or does not satisfy specified application requirements.

  10. PETRI NET MODELING OF COMPUTER VIRUS LIFE CYCLE

    African Journals Online (AJOL)

    Dr Obe

    dynamic system analysis is applied to model the virus life cycle. Simulation of the derived model ... Keywords: Virus lifecycle, Petri nets, modeling. simulation. .... complex process. Figure 2 .... by creating Matlab files for five different computer ...

  11. Regenerating computer model of the thymus

    International Nuclear Information System (INIS)

    Lumb, J.R.

    1975-01-01

    This computer model simulates the cell population kinetics of the development and later degeneration of the thymus. Nutritional factors are taken into account by the growth of blood vessels in the simulated thymus. The stem cell population is kept at its maximum by allowing some stem cells to divide into two stem cells until the population reaches its maximum, thus regenerating the thymus after an insult such as irradiation. After a given number of population doublings the maximum allowed stem cell population is gradually decreased in order to simulate the degeneration of the thymus. Results show that the simulated thymus develops and degenerates in a pattern similar to that of the natural thymus. This simulation is used to evaluate cellular kinetic data for the the thymus. The results from testing the internal consistency of available data are reported. The number of generations which most represents the natural thymus includes seven dividing generations of lymphocytes and one mature, nondividing generation of small lymphocytes. The size of the resulting developed thymus can be controlled without affecting other variables by changing the maximum stem cell population allowed. In addition, recovery from irradiation is simulated

  12. Computational modeling of epidural cortical stimulation

    Science.gov (United States)

    Wongsarnpigoon, Amorn; Grill, Warren M.

    2008-12-01

    Epidural cortical stimulation (ECS) is a developing therapy to treat neurological disorders. However, it is not clear how the cortical anatomy or the polarity and position of the electrode affects current flow and neural activation in the cortex. We developed a 3D computational model simulating ECS over the precentral gyrus. With the electrode placed directly above the gyrus, about half of the stimulus current flowed through the crown of the gyrus while current density was low along the banks deep in the sulci. Beneath the electrode, neurons oriented perpendicular to the cortical surface were depolarized by anodic stimulation, and neurons oriented parallel to the boundary were depolarized by cathodic stimulation. Activation was localized to the crown of the gyrus, and neurons on the banks deep in the sulci were not polarized. During regulated voltage stimulation, the magnitude of the activating function was inversely proportional to the thickness of the CSF and dura. During regulated current stimulation, the activating function was not sensitive to the thickness of the dura but was slightly more sensitive than during regulated voltage stimulation to the thickness of the CSF. Varying the width of the gyrus and the position of the electrode altered the distribution of the activating function due to changes in the orientation of the neurons beneath the electrode. Bipolar stimulation, although often used in clinical practice, reduced spatial selectivity as well as selectivity for neuron orientation.

  13. Review of computational thermal-hydraulic modeling

    International Nuclear Information System (INIS)

    Keefer, R.H.; Keeton, L.W.

    1995-01-01

    Corrosion of heat transfer tubing in nuclear steam generators has been a persistent problem in the power generation industry, assuming many different forms over the years depending on chemistry and operating conditions. Whatever the corrosion mechanism, a fundamental understanding of the process is essential to establish effective management strategies. To gain this fundamental understanding requires an integrated investigative approach that merges technology from many diverse scientific disciplines. An important aspect of an integrated approach is characterization of the corrosive environment at high temperature. This begins with a thorough understanding of local thermal-hydraulic conditions, since they affect deposit formation, chemical concentration, and ultimately corrosion. Computational Fluid Dynamics (CFD) can and should play an important role in characterizing the thermal-hydraulic environment and in predicting the consequences of that environment,. The evolution of CFD technology now allows accurate calculation of steam generator thermal-hydraulic conditions and the resulting sludge deposit profiles. Similar calculations are also possible for model boilers, so that tests can be designed to be prototypic of the heat exchanger environment they are supposed to simulate. This paper illustrates the utility of CFD technology by way of examples in each of these two areas. This technology can be further extended to produce more detailed local calculations of the chemical environment in support plate crevices, beneath thick deposits on tubes, and deep in tubesheet sludge piles. Knowledge of this local chemical environment will provide the foundation for development of mechanistic corrosion models, which can be used to optimize inspection and cleaning schedules and focus the search for a viable fix

  14. Case Studies in Library Computer Systems.

    Science.gov (United States)

    Palmer, Richard Phillips

    Twenty descriptive case studies of computer applications in a variety of libraries are presented in this book. Computerized circulation, serial and acquisition systems in public, high school, college, university and business libraries are included. Each of the studies discusses: 1) the environment in which the system operates, 2) the objectives of…

  15. Modelling, abstraction, and computation in systems biology: A view from computer science.

    Science.gov (United States)

    Melham, Tom

    2013-04-01

    Systems biology is centrally engaged with computational modelling across multiple scales and at many levels of abstraction. Formal modelling, precise and formalised abstraction relationships, and computation also lie at the heart of computer science--and over the past decade a growing number of computer scientists have been bringing their discipline's core intellectual and computational tools to bear on biology in fascinating new ways. This paper explores some of the apparent points of contact between the two fields, in the context of a multi-disciplinary discussion on conceptual foundations of systems biology. Copyright © 2012 Elsevier Ltd. All rights reserved.

  16. Computational modelling of expressive music performance in hexaphonic guitar

    OpenAIRE

    Siquier, Marc

    2017-01-01

    Computational modelling of expressive music performance has been widely studied in the past. While previous work in this area has been mainly focused on classical piano music, there has been very little work on guitar music, and such work has focused on monophonic guitar playing. In this work, we present a machine learning approach to automatically generate expressive performances from non expressive music scores for polyphonic guitar. We treated guitar as an hexaphonic instrument, obtaining ...

  17. Computer tomography of flows external to test models

    Science.gov (United States)

    Prikryl, I.; Vest, C. M.

    1982-01-01

    Computer tomographic techniques for reconstruction of three-dimensional aerodynamic density fields, from interferograms recorded from several different viewing directions were studied. Emphasis is on the case in which an opaque object such as a test model in a wind tunnel obscures significant regions of the interferograms (projection data). A method called the Iterative Convolution Method (ICM), existing methods in which the field is represented by a series expansions, and analysis of real experimental data in the form of aerodynamic interferograms are discussed.

  18. Computational model for transient studies of IRIS pressurizer behavior; Modelo computacional para el estudio de transitorios en el compensador de presion IRIS

    Energy Technology Data Exchange (ETDEWEB)

    Rives Sanz, R.; Montesino Otero, M.E.; Gonzalez Mantecon, J.; Rojas Mazaira, L., E-mail: mmontesi@instec.cu [Higher Institute of Technology and Applied Science, La Habana (Cuba). Department of Nuclear Engineering; Lira, C.A. Brayner de Oliveira [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil)

    2014-07-01

    International Reactor Innovative and Secure (IRIS) excels other Small Modular Reactor (SMR) designs due to its innovative characteristics regarding safety. IRIS integral pressurizer makes the design of larger pressurizer system than the conventional PWR, without any additional cost. The IRIS pressurizer volume of steam can provide enough margins to avoid spray requirement to mitigate in-surge transient. The aim of the present research is to model the IRIS pressurizer's dynamic using the commercial finite volume Computational Fluid Dynamic code CFX 14. A symmetric tridimensional model equivalent to 1/8 of the total geometry was adopted to reduce mesh size and minimize processing time. The model considers the coexistence of three phases: liquid, steam, and vapor bubbles in liquid volume. Additionally, it takes into account the heat losses between the pressurizer and primary circuit. The relationships for interfacial mass, energy, and momentum transport are programmed and incorporated into CFX by using expressions in CFX Command Language (CCL) format. Moreover, several additional variables are defined for improving the convergence and allow monitoring of boron dilution sequences and condensation-evaporation rate in different control volumes. For transient states a non - equilibrium stratification in the pressurizer is considered. This paper discusses the model developed and the behavior of the system for representative transients sequences such as the in/out-surge transients and boron dilution sequences. The results of analyzed transients of IRIS can be applied to the design of pressurizer internal structures and components. (author)

  19. Computer Models Simulate Fine Particle Dispersion

    Science.gov (United States)

    2010-01-01

    Through a NASA Seed Fund partnership with DEM Solutions Inc., of Lebanon, New Hampshire, scientists at Kennedy Space Center refined existing software to study the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces. The software, EDEM, allows users to import particles and obtain accurate representations of their shapes for modeling purposes, such as simulating bulk solids behavior, and was enhanced to be able to more accurately model fine, abrasive, cohesive particles. These new EDEM capabilities can be applied in many industries unrelated to space exploration and have been adopted by several prominent U.S. companies, including John Deere, Pfizer, and Procter & Gamble.

  20. Computational Intelligence Agent-Oriented Modelling

    Czech Academy of Sciences Publication Activity Database

    Neruda, Roman

    2006-01-01

    Roč. 5, č. 2 (2006), s. 430-433 ISSN 1109-2777 R&D Projects: GA MŠk 1M0567 Institutional research plan: CEZ:AV0Z10300504 Keywords : multi-agent systems * adaptive agents * computational intelligence Subject RIV: IN - Informatics, Computer Science

  1. Pharmaceutical industry and trade liberalization using computable general equilibrium model.

    Science.gov (United States)

    Barouni, M; Ghaderi, H; Banouei, Aa

    2012-01-01

    Computable general equilibrium models are known as a powerful instrument in economic analyses and widely have been used in order to evaluate trade liberalization effects. The purpose of this study was to provide the impacts of trade openness on pharmaceutical industry using CGE model. Using a computable general equilibrium model in this study, the effects of decrease in tariffs as a symbol of trade liberalization on key variables of Iranian pharmaceutical products were studied. Simulation was performed via two scenarios in this study. The first scenario was the effect of decrease in tariffs of pharmaceutical products as 10, 30, 50, and 100 on key drug variables, and the second was the effect of decrease in other sectors except pharmaceutical products on vital and economic variables of pharmaceutical products. The required data were obtained and the model parameters were calibrated according to the social accounting matrix of Iran in 2006. The results associated with simulation demonstrated that the first scenario has increased import, export, drug supply to markets and household consumption, while import, export, supply of product to market, and household consumption of pharmaceutical products would averagely decrease in the second scenario. Ultimately, society welfare would improve in all scenarios. We presents and synthesizes the CGE model which could be used to analyze trade liberalization policy issue in developing countries (like Iran), and thus provides information that policymakers can use to improve the pharmacy economics.

  2. A New Perspective for the Calibration of Computational Predictor Models.

    Energy Technology Data Exchange (ETDEWEB)

    Crespo, Luis Guillermo

    2014-11-01

    This paper presents a framework for calibrating computational models using data from sev- eral and possibly dissimilar validation experiments. The offset between model predictions and observations, which might be caused by measurement noise, model-form uncertainty, and numerical error, drives the process by which uncertainty in the models parameters is characterized. The resulting description of uncertainty along with the computational model constitute a predictor model. Two types of predictor models are studied: Interval Predictor Models (IPMs) and Random Predictor Models (RPMs). IPMs use sets to characterize uncer- tainty, whereas RPMs use random vectors. The propagation of a set through a model makes the response an interval valued function of the state, whereas the propagation of a random vector yields a random process. Optimization-based strategies for calculating both types of predictor models are proposed. Whereas the formulations used to calculate IPMs target solutions leading to the interval value function of minimal spread containing all observations, those for RPMs seek to maximize the models' ability to reproduce the distribution of obser- vations. Regarding RPMs, we choose a structure for the random vector (i.e., the assignment of probability to points in the parameter space) solely dependent on the prediction error. As such, the probabilistic description of uncertainty is not a subjective assignment of belief, nor is it expected to asymptotically converge to a fixed value, but instead it is a description of the model's ability to reproduce the experimental data. This framework enables evaluating the spread and distribution of the predicted response of target applications depending on the same parameters beyond the validation domain (i.e., roll-up and extrapolation).

  3. Computed tomographic study on Mycoplasma pneumoniae pneumonia

    International Nuclear Information System (INIS)

    Tanaka, Hiroshi; Koba, Hiroyuki; Mori, Takuji; Mori, Masaki; Tsunematsu, Kazunori; Natori, Hiroshi; Asakawa, Mitsuo; Suzuki, Akira; Doi, Mikio.

    1985-01-01

    Serologically proven 21 patients with Mycoplasma pneumoniae pneumonia that showed infiltrative shadows on chest radiograms were studied by computed tomography (CT). Localization of the lesion and the fashion of its progression through the lung were analyzed. Following 3 loci were defined on the basis of the investigations of critical analysis of the chest radiograms, and of radiopathological analysis of the experimental animal model of mycoplasmal pneumonia with soft X-ray image. I: Peribronchial and periarterial interstitium. II: Bronchiole and its surroundings. III: Lung parenchyma, on hilar area as IIIh, on marginal area as IIIm. Even in the early phase of this disease, radiopathological findings on CT have been distributed in all loci mentioned above. The Shadow disappeared from locus III approximately 14th day from the onset. The shadow have remained, however, loci I, II for a long period. Those findings suggest that locus I and II are one of the major focus of Mycoplasma neumoniae pneumonia. Volume loss in the locus III was observed 78 % of the cases at 28th day from the onset. The shadow on locus IIIh was more prominent than locus IIIm. Reported analytical method with CT could be widely applied to disclose a radiopathological details in other infectious diseases of the lung. (author)

  4. Efficiency using computer simulation of Reverse Threshold Model Theory on assessing a “One Laptop Per Child” computer versus desktop computer

    Directory of Open Access Journals (Sweden)

    Supat Faarungsang

    2017-04-01

    Full Text Available The Reverse Threshold Model Theory (RTMT model was introduced based on limiting factor concepts, but its efficiency compared to the Conventional Model (CM has not been published. This investigation assessed the efficiency of RTMT compared to CM using computer simulation on the “One Laptop Per Child” computer and a desktop computer. Based on probability values, it was found that RTMT was more efficient than CM among eight treatment combinations and an earlier study verified that RTMT gives complete elimination of random error. Furthermore, RTMT has several advantages over CM and is therefore proposed to be applied to most research data.

  5. A Model of Computation for Bit-Level Concurrent Computing and Programming: APEC

    Science.gov (United States)

    Ajiro, Takashi; Tsuchida, Kensei

    A concurrent model of computation and a language based on the model for bit-level operation are useful for developing asynchronous and concurrent programs compositionally, which frequently use bit-level operations. Some examples are programs for video games, hardware emulation (including virtual machines), and signal processing. However, few models and languages are optimized and oriented to bit-level concurrent computation. We previously developed a visual programming language called A-BITS for bit-level concurrent programming. The language is based on a dataflow-like model that computes using processes that provide serial bit-level operations and FIFO buffers connected to them. It can express bit-level computation naturally and develop compositionally. We then devised a concurrent computation model called APEC (Asynchronous Program Elements Connection) for bit-level concurrent computation. This model enables precise and formal expression of the process of computation, and a notion of primitive program elements for controlling and operating can be expressed synthetically. Specifically, the model is based on a notion of uniform primitive processes, called primitives, that have three terminals and four ordered rules at most, as well as on bidirectional communication using vehicles called carriers. A new notion is that a carrier moving between two terminals can briefly express some kinds of computation such as synchronization and bidirectional communication. The model's properties make it most applicable to bit-level computation compositionally, since the uniform computation elements are enough to develop components that have practical functionality. Through future application of the model, our research may enable further research on a base model of fine-grain parallel computer architecture, since the model is suitable for expressing massive concurrency by a network of primitives.

  6. Deployment Models: Towards Eliminating Security Concerns From Cloud Computing

    OpenAIRE

    Zhao, Gansen; Chunming, Rong; Jaatun, Martin Gilje; Sandnes, Frode Eika

    2010-01-01

    Cloud computing has become a popular choice as an alternative to investing new IT systems. When making decisions on adopting cloud computing related solutions, security has always been a major concern. This article summarizes security concerns in cloud computing and proposes five service deployment models to ease these concerns. The proposed models provide different security related features to address different requirements and scenarios and can serve as reference models for deployment. D...

  7. Cloud Computing Adoption Business Model Factors: Does Enterprise Size Matter?

    OpenAIRE

    Bogataj Habjan, Kristina; Pucihar, Andreja

    2017-01-01

    This paper presents the results of research investigating the impact of business model factors on cloud computing adoption. The introduced research model consists of 40 cloud computing business model factors, grouped into eight factor groups. Their impact and importance for cloud computing adoption were investigated among enterpirses in Slovenia. Furthermore, differences in opinion according to enterprise size were investigated. Research results show no statistically significant impacts of in...

  8. The complete guide to blender graphics computer modeling and animation

    CERN Document Server

    Blain, John M

    2014-01-01

    Smoothly Leads Users into the Subject of Computer Graphics through the Blender GUIBlender, the free and open source 3D computer modeling and animation program, allows users to create and animate models and figures in scenes, compile feature movies, and interact with the models and create video games. Reflecting the latest version of Blender, The Complete Guide to Blender Graphics: Computer Modeling & Animation, 2nd Edition helps beginners learn the basics of computer animation using this versatile graphics program. This edition incorporates many new features of Blender, including developments

  9. Computational Models for Nonlinear Aeroelastic Systems, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Clear Science Corp. and Duke University propose to develop and demonstrate new and efficient computational methods of modeling nonlinear aeroelastic systems. The...

  10. Editorial: Modelling and computational challenges in granular materials

    NARCIS (Netherlands)

    Weinhart, Thomas; Thornton, Anthony Richard; Einav, Itai

    2015-01-01

    This is the editorial for the special issue on “Modelling and computational challenges in granular materials” in the journal on Computational Particle Mechanics (CPM). The issue aims to provide an opportunity for physicists, engineers, applied mathematicians and computational scientists to discuss

  11. Security Issues Model on Cloud Computing: A Case of Malaysia

    OpenAIRE

    Komeil Raisian; Jamaiah Yahaya

    2015-01-01

    By developing the cloud computing, viewpoint of many people regarding the infrastructure architectures, software distribution and improvement model changed significantly. Cloud computing associates with the pioneering deployment architecture, which could be done through grid calculating, effectiveness calculating and autonomic calculating. The fast transition towards that, has increased the worries regarding a critical issue for the effective transition of cloud computing. From the security v...

  12. An Emotional Agent Model Based on Granular Computing

    Directory of Open Access Journals (Sweden)

    Jun Hu

    2012-01-01

    Full Text Available Affective computing has a very important significance for fulfilling intelligent information processing and harmonious communication between human being and computers. A new model for emotional agent is proposed in this paper to make agent have the ability of handling emotions, based on the granular computing theory and the traditional BDI agent model. Firstly, a new emotion knowledge base based on granular computing for emotion expression is presented in the model. Secondly, a new emotional reasoning algorithm based on granular computing is proposed. Thirdly, a new emotional agent model based on granular computing is presented. Finally, based on the model, an emotional agent for patient assistant in hospital is realized, experiment results show that it is efficient to handle simple emotions.

  13. Computational needs for modelling accelerator components

    International Nuclear Information System (INIS)

    Hanerfeld, H.

    1985-06-01

    The particle-in-cell MASK is being used to model several different electron accelerator components. These studies are being used both to design new devices and to understand particle behavior within existing structures. Studies include the injector for the Stanford Linear Collider and the 50 megawatt klystron currently being built at SLAC. MASK is a 2D electromagnetic code which is being used by SLAC both on our own IBM 3081 and on the CRAY X-MP at the NMFECC. Our experience with running MASK illustrates the need for supercomputers to continue work of the kind described. 3 refs., 2 figs

  14. Computed Tomography Study Of Complicated Bacterial Meningitis ...

    African Journals Online (AJOL)

    To monitor the structural intracranial complications of bacterial meningitis using computed tomography (CT) scan. Retrospective study of medical and radiological records of patients who underwent CT scan over a 4 year period. AUniversityTeachingHospital in a developing country. Thirty three patients with clinically and ...

  15. Connected word recognition using a cascaded neuro-computational model

    Science.gov (United States)

    Hoya, Tetsuya; van Leeuwen, Cees

    2016-10-01

    We propose a novel framework for processing a continuous speech stream that contains a varying number of words, as well as non-speech periods. Speech samples are segmented into word-tokens and non-speech periods. An augmented version of an earlier-proposed, cascaded neuro-computational model is used for recognising individual words within the stream. Simulation studies using both a multi-speaker-dependent and speaker-independent digit string database show that the proposed method yields a recognition performance comparable to that obtained by a benchmark approach using hidden Markov models with embedded training.

  16. Computer modelling of an underground mine ventilation system

    International Nuclear Information System (INIS)

    1984-12-01

    The ability to control workplace short-lived radon daughter concentrations to appropriate levels is crucial to the underground mining of uranium ores. Recognizing that mine ventilation models can be used to design ventilation facilities in new mines and to evaluate proposed ventilation changes in existing mines the Atomic Energy Control Board (AECB) initiated this study to first investigate existing mine ventilation models and then develop a suitable model for use by AECB staff. At the start of the study, available literature on mine ventilation models, in partiuclar models suitable for the unique task of predicting radon daughter levels, were reviewed. While the details of the models varied, it was found that the basic calculation procedures used by the various models were similar. Consequently, a model developed at Queen's University that not only already incorporated most of the desired features but was also readily available, was selected for implementation. Subsequently, the Queen's computer program (actually two programs, one for mine ventilation and one to calculate radon daughter levels) was extended and tested. The following report provides the relevant documentation for setting up and running the models. The mathematical basis of the calculational procedures used in the models are also described

  17. A Framework for Understanding Physics Students' Computational Modeling Practices

    Science.gov (United States)

    Lunk, Brandon Robert

    their existing physics content knowledge, particularly their knowledge of analytic procedures. While this existing knowledge was often applied in inappropriate circumstances, the students were still able to display a considerable amount of understanding of the physics content and of analytic solution procedures. These observations could not be adequately accommodated by the existing literature of programming comprehension. In extending the resource framework to the task of computational modeling, I model students' practices in terms of three important elements. First, a knowledge base includes re- sources for understanding physics, math, and programming structures. Second, a mechanism for monitoring and control describes students' expectations as being directed towards numerical, analytic, qualitative or rote solution approaches and which can be influenced by the problem representation. Third, a set of solution approaches---many of which were identified in this study---describe what aspects of the knowledge base students use and how they use that knowledge to enact their expectations. This framework allows us as researchers to track student discussions and pinpoint the source of difficulties. This work opens up many avenues of potential research. First, this framework gives researchers a vocabulary for extending Resource Theory to other domains of instruction, such as modeling how physics students use graphs. Second, this framework can be used as the basis for modeling expert physicists' programming practices. Important instructional implications also follow from this research. Namely, as we broaden the use of computational modeling in the physics classroom, our instructional practices should focus on helping students understand the step-by-step nature of programming in contrast to the already salient analytic procedures.

  18. Computational Modeling Develops Ultra-Hard Steel

    Science.gov (United States)

    2007-01-01

    Glenn Research Center's Mechanical Components Branch developed a spiral bevel or face gear test rig for testing thermal behavior, surface fatigue, strain, vibration, and noise; a full-scale, 500-horsepower helicopter main-rotor transmission testing stand; a gear rig that allows fundamental studies of the dynamic behavior of gear systems and gear noise; and a high-speed helical gear test for analyzing thermal behavior for rotorcraft. The test rig provides accelerated fatigue life testing for standard spur gears at speeds of up to 10,000 rotations per minute. The test rig enables engineers to investigate the effects of materials, heat treat, shot peen, lubricants, and other factors on the gear's performance. QuesTek Innovations LLC, based in Evanston, Illinois, recently developed a carburized, martensitic gear steel with an ultra-hard case using its computational design methodology, but needed to verify surface fatigue, lifecycle performance, and overall reliability. The Battelle Memorial Institute introduced the company to researchers at Glenn's Mechanical Components Branch and facilitated a partnership allowing researchers at the NASA Center to conduct spur gear fatigue testing for the company. Testing revealed that QuesTek's gear steel outperforms the current state-of-the-art alloys used for aviation gears in contact fatigue by almost 300 percent. With the confidence and credibility provided by the NASA testing, QuesTek is commercializing two new steel alloys. Uses for this new class of steel are limitless in areas that demand exceptional strength for high throughput applications.

  19. Educational NASA Computational and Scientific Studies (enCOMPASS)

    Science.gov (United States)

    Memarsadeghi, Nargess

    2013-01-01

    Educational NASA Computational and Scientific Studies (enCOMPASS) is an educational project of NASA Goddard Space Flight Center aimed at bridging the gap between computational objectives and needs of NASA's scientific research, missions, and projects, and academia's latest advances in applied mathematics and computer science. enCOMPASS achieves this goal via bidirectional collaboration and communication between NASA and academia. Using developed NASA Computational Case Studies in university computer science/engineering and applied mathematics classes is a way of addressing NASA's goals of contributing to the Science, Technology, Education, and Math (STEM) National Objective. The enCOMPASS Web site at http://encompass.gsfc.nasa.gov provides additional information. There are currently nine enCOMPASS case studies developed in areas of earth sciences, planetary sciences, and astrophysics. Some of these case studies have been published in AIP and IEEE's Computing in Science and Engineering magazines. A few university professors have used enCOMPASS case studies in their computational classes and contributed their findings to NASA scientists. In these case studies, after introducing the science area, the specific problem, and related NASA missions, students are first asked to solve a known problem using NASA data and past approaches used and often published in a scientific/research paper. Then, after learning about the NASA application and related computational tools and approaches for solving the proposed problem, students are given a harder problem as a challenge for them to research and develop solutions for. This project provides a model for NASA scientists and engineers on one side, and university students, faculty, and researchers in computer science and applied mathematics on the other side, to learn from each other's areas of work, computational needs and solutions, and the latest advances in research and development. This innovation takes NASA science and

  20. Computational modeling of pedunculopontine nucleus deep brain stimulation

    Science.gov (United States)

    Zitella, Laura M.; Mohsenian, Kevin; Pahwa, Mrinal; Gloeckner, Cory; Johnson, Matthew D.

    2013-08-01

    Objective. Deep brain stimulation (DBS) near the pedunculopontine nucleus (PPN) has been posited to improve medication-intractable gait and balance problems in patients with Parkinson's disease. However, clinical studies evaluating this DBS target have not demonstrated consistent therapeutic effects, with several studies reporting the emergence of paresthesia and oculomotor side effects. The spatial and pathway-specific extent to which brainstem regions are modulated during PPN-DBS is not well understood. Approach. Here, we describe two computational models that estimate the direct effects of DBS in the PPN region for human and translational non-human primate (NHP) studies. The three-dimensional models were constructed from segmented histological images from each species, multi-compartment neuron models and inhomogeneous finite element models of the voltage distribution in the brainstem during DBS. Main Results. The computational models predicted that: (1) the majority of PPN neurons are activated with -3 V monopolar cathodic stimulation; (2) surgical targeting errors of as little as 1 mm in both species decrement activation selectivity; (3) specifically, monopolar stimulation in caudal, medial, or anterior PPN activates a significant proportion of the superior cerebellar peduncle (up to 60% in the human model and 90% in the NHP model at -3 V) (4) monopolar stimulation in rostral, lateral or anterior PPN activates a large percentage of medial lemniscus fibers (up to 33% in the human model and 40% in the NHP model at -3 V) and (5) the current clinical cylindrical electrode design is suboptimal for isolating the modulatory effects to PPN neurons. Significance. We show that a DBS lead design with radially-segmented electrodes may yield improved functional outcome for PPN-DBS.

  1. Reduced order methods for modeling and computational reduction

    CERN Document Server

    Rozza, Gianluigi

    2014-01-01

    This monograph addresses the state of the art of reduced order methods for modeling and computational reduction of complex parametrized systems, governed by ordinary and/or partial differential equations, with a special emphasis on real time computing techniques and applications in computational mechanics, bioengineering and computer graphics.  Several topics are covered, including: design, optimization, and control theory in real-time with applications in engineering; data assimilation, geometry registration, and parameter estimation with special attention to real-time computing in biomedical engineering and computational physics; real-time visualization of physics-based simulations in computer science; the treatment of high-dimensional problems in state space, physical space, or parameter space; the interactions between different model reduction and dimensionality reduction approaches; the development of general error estimation frameworks which take into account both model and discretization effects. This...

  2. An Accurate and Dynamic Computer Graphics Muscle Model

    Science.gov (United States)

    Levine, David Asher

    1997-01-01

    A computer based musculo-skeletal model was developed at the University in the departments of Mechanical and Biomedical Engineering. This model accurately represents human shoulder kinematics. The result of this model is the graphical display of bones moving through an appropriate range of motion based on inputs of EMGs and external forces. The need existed to incorporate a geometric muscle model in the larger musculo-skeletal model. Previous muscle models did not accurately represent muscle geometries, nor did they account for the kinematics of tendons. This thesis covers the creation of a new muscle model for use in the above musculo-skeletal model. This muscle model was based on anatomical data from the Visible Human Project (VHP) cadaver study. Two-dimensional digital images from the VHP were analyzed and reconstructed to recreate the three-dimensional muscle geometries. The recreated geometries were smoothed, reduced, and sliced to form data files defining the surfaces of each muscle. The muscle modeling function opened these files during run-time and recreated the muscle surface. The modeling function applied constant volume limitations to the muscle and constant geometry limitations to the tendons.

  3. Computational Studies of Protein Hydration Methods

    Science.gov (United States)

    Morozenko, Aleksandr

    It is widely appreciated that water plays a vital role in proteins' functions. The long-range proton transfer inside proteins is usually carried out by the Grotthuss mechanism and requires a chain of hydrogen bonds that is composed of internal water molecules and amino acid residues of the protein. In other cases, water molecules can facilitate the enzymes catalytic reactions by becoming a temporary proton donor/acceptor. Yet a reliable way of predicting water protein interior is still not available to the biophysics community. This thesis presents computational studies that have been performed to gain insights into the problems of fast and accurate prediction of potential water sites inside internal cavities of protein. Specifically, we focus on the task of attainment of correspondence between results obtained from computational experiments and experimental data available from X-ray structures. An overview of existing methods of predicting water molecules in the interior of a protein along with a discussion of the trustworthiness of these predictions is a second major subject of this thesis. A description of differences of water molecules in various media, particularly, gas, liquid and protein interior, and theoretical aspects of designing an adequate model of water for the protein environment are widely discussed in chapters 3 and 4. In chapter 5, we discuss recently developed methods of placement of water molecules into internal cavities of a protein. We propose a new methodology based on the principle of docking water molecules to a protein body which allows to achieve a higher degree of matching experimental data reported in protein crystal structures than other techniques available in the world of biophysical software. The new methodology is tested on a set of high-resolution crystal structures of oligopeptide-binding protein (OppA) containing a large number of resolved internal water molecules and applied to bovine heart cytochrome c oxidase in the fully

  4. Computational Models and Emergent Properties of Respiratory Neural Networks

    Science.gov (United States)

    Lindsey, Bruce G.; Rybak, Ilya A.; Smith, Jeffrey C.

    2012-01-01

    Computational models of the neural control system for breathing in mammals provide a theoretical and computational framework bringing together experimental data obtained from different animal preparations under various experimental conditions. Many of these models were developed in parallel and iteratively with experimental studies and provided predictions guiding new experiments. This data-driven modeling approach has advanced our understanding of respiratory network architecture and neural mechanisms underlying generation of the respiratory rhythm and pattern, including their functional reorganization under different physiological conditions. Models reviewed here vary in neurobiological details and computational complexity and span multiple spatiotemporal scales of respiratory control mechanisms. Recent models describe interacting populations of respiratory neurons spatially distributed within the Bötzinger and pre-Bötzinger complexes and rostral ventrolateral medulla that contain core circuits of the respiratory central pattern generator (CPG). Network interactions within these circuits along with intrinsic rhythmogenic properties of neurons form a hierarchy of multiple rhythm generation mechanisms. The functional expression of these mechanisms is controlled by input drives from other brainstem components, including the retrotrapezoid nucleus and pons, which regulate the dynamic behavior of the core circuitry. The emerging view is that the brainstem respiratory network has rhythmogenic capabilities at multiple levels of circuit organization. This allows flexible, state-dependent expression of different neural pattern-generation mechanisms under various physiological conditions, enabling a wide repertoire of respiratory behaviors. Some models consider control of the respiratory CPG by pulmonary feedback and network reconfiguration during defensive behaviors such as cough. Future directions in modeling of the respiratory CPG are considered. PMID:23687564

  5. Completeness of classical spin models and universal quantum computation

    International Nuclear Information System (INIS)

    De las Cuevas, Gemma; Dür, Wolfgang; Briegel, Hans J; Van den Nest, Maarten

    2009-01-01

    We study mappings between different classical spin systems that leave the partition function invariant. As recently shown in Van den Nest et al (2008 Phys. Rev. Lett. 100 110501), the partition function of the 2D square lattice Ising model in the presence of an inhomogeneous magnetic field can specialize to the partition function of any Ising system on an arbitrary graph. In this sense the 2D Ising model is said to be 'complete'. However, in order to obtain the above result, the coupling strengths on the 2D lattice must assume complex values, and thus do not allow for a physical interpretation. Here we show how a complete model with real—and, hence, 'physical'—couplings can be obtained if the 3D Ising model is considered. We furthermore show how to map general q-state systems with possibly many-body interactions to the 2D Ising model with complex parameters, and give completeness results for these models with real parameters. We also demonstrate that the computational overhead in these constructions is in all relevant cases polynomial. These results are proved by invoking a recently found cross-connection between statistical mechanics and quantum information theory, where partition functions are expressed as quantum mechanical amplitudes. Within this framework, there exists a natural correspondence between many-body quantum states that allow for universal quantum computation via local measurements only, and complete classical spin systems

  6. Structure, function, and behaviour of computational models in systems biology.

    Science.gov (United States)

    Knüpfer, Christian; Beckstein, Clemens; Dittrich, Peter; Le Novère, Nicolas

    2013-05-31

    Systems Biology develops computational models in order to understand biological phenomena. The increasing number and complexity of such "bio-models" necessitate computer support for the overall modelling task. Computer-aided modelling has to be based on a formal semantic description of bio-models. But, even if computational bio-models themselves are represented precisely in terms of mathematical expressions their full meaning is not yet formally specified and only described in natural language. We present a conceptual framework - the meaning facets - which can be used to rigorously specify the semantics of bio-models. A bio-model has a dual interpretation: On the one hand it is a mathematical expression which can be used in computational simulations (intrinsic meaning). On the other hand the model is related to the biological reality (extrinsic meaning). We show that in both cases this interpretation should be performed from three perspectives: the meaning of the model's components (structure), the meaning of the model's intended use (function), and the meaning of the model's dynamics (behaviour). In order to demonstrate the strengths of the meaning facets framework we apply it to two semantically related models of the cell cycle. Thereby, we make use of existing approaches for computer representation of bio-models as much as possible and sketch the missing pieces. The meaning facets framework provides a systematic in-depth approach to the semantics of bio-models. It can serve two important purposes: First, it specifies and structures the information which biologists have to take into account if they build, use and exchange models. Secondly, because it can be formalised, the framework is a solid foundation for any sort of computer support in bio-modelling. The proposed conceptual framework establishes a new methodology for modelling in Systems Biology and constitutes a basis for computer-aided collaborative research.

  7. The Effects of Computer-assisted and Distance Learning of Geometric Modeling

    Directory of Open Access Journals (Sweden)

    Omer Faruk Sozcu

    2013-01-01

    Full Text Available The effects of computer-assisted and distance learning of geometric modeling and computer aided geometric design are studied. It was shown that computer algebra systems and dynamic geometric environments can be considered as excellent tools for teaching mathematical concepts of mentioned areas, and distance education technologies would be indispensable for consolidation of successfully passed topics

  8. An Expedient Study on Back-Propagation (BPN) Neural Networks for Modeling Automated Evaluation of the Answers and Progress of Deaf Students' That Possess Basic Knowledge of the English Language and Computer Skills

    Science.gov (United States)

    Vrettaros, John; Vouros, George; Drigas, Athanasios S.

    This article studies the expediency of using neural networks technology and the development of back-propagation networks (BPN) models for modeling automated evaluation of the answers and progress of deaf students' that possess basic knowledge of the English language and computer skills, within a virtual e-learning environment. The performance of the developed neural models is evaluated with the correlation factor between the neural networks' response values and the real value data as well as the percentage measurement of the error between the neural networks' estimate values and the real value data during its training process and afterwards with unknown data that weren't used in the training process.

  9. Computational models for probabilistic neutronic calculation in TADSEA

    International Nuclear Information System (INIS)

    Garcia, Jesus A.R.; Curbelo, Jesus P.; Hernandez, Carlos R.G.; Oliva, Amaury M.; Lira, Carlos A.B.O.

    2013-01-01

    The Very High Temperature Reactor is one of the main candidates for the next generation of nuclear power plants. In pebble bed reactors, the fuel is contained within graphite pebbles in the form of TRISO particles, which form a randomly packed bed inside a graphite-walled cylindrical cavity. In previous studies, the conceptual design of a Transmutation Advanced Device for Sustainable Energy Applications (TADSEA) has been made. The TADSEA is a pebble-bed ADS cooled by helium and moderated by graphite. In order to simulate the TADSEA correctly, the double heterogeneity of the system must be considered. It consists on randomly located pebbles into the core and randomly located TRISO particles into the fuel pebbles. These features are often neglected due to the difficulty to model with MCNP code. The main reason is that there is a limited number of cells and surfaces to be defined. In this paper a computational tool, which allows to get a new geometrical model for fuel pebble to neutronic calculation with MCNPX, was presented. The heterogeneity of system is considered, and also the randomly located TRISO particles inside the pebble. There are also compared several neutronic computational models for TADSEA's fuel pebbles in order to study heterogeneity effects. On the other hand the boundary effect given by the intersection between the pebble surface and the TRISO particles could be significative in the multiplicative properties. A model to study this e ect is also presented. (author)

  10. Computational Actuator Disc Models for Wind and Tidal Applications

    Directory of Open Access Journals (Sweden)

    B. Johnson

    2014-01-01

    Full Text Available This paper details a computational fluid dynamic (CFD study of a constantly loaded actuator disc model featuring different boundary conditions; these boundary conditions were defined to represent a channel and a duct flow. The simulations were carried out using the commercially available CFD software ANSYS-CFX. The data produced were compared to the one-dimensional (1D momentum equation as well as previous numerical and experimental studies featuring porous discs in a channel flow. The actuator disc was modelled as a momentum loss using a resistance coefficient related to the thrust coefficient (CT. The model showed good agreement with the 1D momentum theory in terms of the velocity and pressure profiles. Less agreement was demonstrated when compared to previous numerical and empirical data in terms of velocity and turbulence characteristics in the far field. These models predicted a far larger velocity deficit and a turbulence peak further downstream. This study therefore demonstrates the usefulness of the duct boundary condition (for computational ease for representing open channel flow when simulating far field effects as well as the importance of turbulence definition at the inlet.

  11. Computational Modeling of Lipid Metabolism in Yeast

    Directory of Open Access Journals (Sweden)

    Vera Schützhold

    2016-09-01

    Full Text Available Lipid metabolism is essential for all major cell functions and has recently gained increasing attention in research and health studies. However, mathematical modeling by means of classical approaches such as stoichiometric networks and ordinary differential equation systems has not yet provided satisfactory insights, due to the complexity of lipid metabolism characterized by many different species with only slight differences and by promiscuous multifunctional enzymes.Here, we present a object-oriented stochastic model approach as a way to cope with the complex lipid metabolic network. While all lipid species are treated objects in the model, they can be modified by the respective converting reactions based on reaction rules, a hybrid method that integrates benefits of agent-based and classical stochastic simulation. This approach allows to follow the dynamics of all lipid species with different fatty acids, different degrees of saturation and different headgroups over time and to analyze the effect of parameter changes, potential mutations in the catalyzing enzymes or provision of different precursors. Applied to yeast metabolism during one cell cycle period, we could analyze the distribution of all lipids to the various membranes in time-dependent manner.The presented approach allows to efficiently treat the complexity of cellular lipid metabolism and to derive conclusions on the time- and location-dependent distributions of lipid species and their properties such as saturation. It is widely applicable, easily extendable and will provide further insights in healthy and diseased states of cell metabolism.

  12. Ocean Modeling and Visualization on Massively Parallel Computer

    Science.gov (United States)

    Chao, Yi; Li, P. Peggy; Wang, Ping; Katz, Daniel S.; Cheng, Benny N.

    1997-01-01

    Climate modeling is one of the grand challenges of computational science, and ocean modeling plays an important role in both understanding the current climatic conditions and predicting future climate change.

  13. Airfoil Computations using the γ - Reθ Model

    DEFF Research Database (Denmark)

    Sørensen, Niels N.

    computations. Based on this, an estimate of the error in the computations is determined to be approximately one percent in the attached region. Following the verification of the implemented model, the model is applied to four airfoils, NACA64- 018, NACA64-218, NACA64-418 and NACA64-618 and the results...

  14. Python for Scientific Computing Education: Modeling of Queueing Systems

    Directory of Open Access Journals (Sweden)

    Vladimiras Dolgopolovas

    2014-01-01

    Full Text Available In this paper, we present the methodology for the introduction to scientific computing based on model-centered learning. We propose multiphase queueing systems as a basis for learning objects. We use Python and parallel programming for implementing the models and present the computer code and results of stochastic simulations.

  15. Integration of case study approach, project design and computer ...

    African Journals Online (AJOL)

    pc

    2018-03-05

    Mar 5, 2018 ... computer modeling used as a research method applied in the process ... conclusions discuss the benefits for students who analyzed the ... accounting education process the case study method should not .... providing travel safety information to passengers ... from literature readings with practical problems.

  16. Computational intelligence applications in modeling and control

    CERN Document Server

    Vaidyanathan, Sundarapandian

    2015-01-01

    The development of computational intelligence (CI) systems was inspired by observable and imitable aspects of intelligent activity of human being and nature. The essence of the systems based on computational intelligence is to process and interpret data of various nature so that that CI is strictly connected with the increase of available data as well as capabilities of their processing, mutually supportive factors. Developed theories of computational intelligence were quickly applied in many fields of engineering, data analysis, forecasting, biomedicine and others. They are used in images and sounds processing and identifying, signals processing, multidimensional data visualization, steering of objects, analysis of lexicographic data, requesting systems in banking, diagnostic systems, expert systems and many other practical implementations. This book consists of 16 contributed chapters by subject experts who are specialized in the various topics addressed in this book. The special chapters have been brought ...

  17. Characterization and Computational Modeling of Minor Phases in Alloy LSHR

    Science.gov (United States)

    Jou, Herng-Jeng; Olson, Gregory; Gabb, Timothy; Garg, Anita; Miller, Derek

    2012-01-01

    The minor phases of powder metallurgy disk superalloy LSHR were studied. Samples were consistently heat treated at three different temperatures for long times to approach equilibrium. Additional heat treatments were also performed for shorter times, to assess minor phase kinetics in non-equilibrium conditions. Minor phases including MC carbides, M23C6 carbides, M3B2 borides, and sigma were identified. Their average sizes and total area fractions were determined. CALPHAD thermodynamics databases and PrecipiCalc(TradeMark), a computational precipitation modeling tool, were employed with Ni-base thermodynamics and diffusion databases to model and simulate the phase microstructural evolution observed in the experiments with an objective to identify the model limitations and the directions of model enhancement.

  18. COMPUTATIONAL MODELING OF AIRFLOW IN NONREGULAR SHAPED CHANNELS

    Directory of Open Access Journals (Sweden)

    A. A. Voronin

    2013-05-01

    Full Text Available The basic approaches to computational modeling of airflow in the human nasal cavity are analyzed. Different models of turbulent flow which may be used in order to calculate air velocity and pressure are discussed. Experimental measurement results of airflow temperature are illustrated. Geometrical model of human nasal cavity reconstructed from computer-aided tomography scans and numerical simulation results of airflow inside this model are also given. Spatial distributions of velocity and temperature for inhaled and exhaled air are shown.

  19. Computational modeling of Metal-Organic Frameworks

    Science.gov (United States)

    Sung, Jeffrey Chuen-Fai

    In this work, the metal-organic frameworks MIL-53(Cr), DMOF-2,3-NH 2Cl, DMOF-2,5-NH2Cl, and HKUST-1 were modeled using molecular mechanics and electronic structure. The effect of electronic polarization on the adsorption of water in MIL-53(Cr) was studied using molecular dynamics simulations of water-loaded MIL-53 systems with both polarizable and non-polarizable force fields. Molecular dynamics simulations of the full systems and DFT calculations on representative framework clusters were utilized to study the difference in nitrogen adsorption between DMOF-2,3-NH2Cl and DMOF-2,5-NH 2Cl. Finally, the control of proton conduction in HKUST-1 by complexation of molecules to the Cu open metal site was investigated using the MS-EVB methodology.

  20. A Novel Method to Verify Multilevel Computational Models of Biological Systems Using Multiscale Spatio-Temporal Meta Model Checking.

    Science.gov (United States)

    Pârvu, Ovidiu; Gilbert, David

    2016-01-01

    Insights gained from multilevel computational models of biological systems can be translated into real-life applications only if the model correctness has been verified first. One of the most frequently employed in silico techniques for computational model verification is model checking. Traditional model checking approaches only consider the evolution of numeric values, such as concentrations, over time and are appropriate for computational models of small scale systems (e.g. intracellular networks). However for gaining a systems level understanding of how biological organisms function it is essential to consider more complex large scale biological systems (e.g. organs). Verifying computational models of such systems requires capturing both how numeric values and properties of (emergent) spatial structures (e.g. area of multicellular population) change over time and across multiple levels of organization, which are not considered by existing model checking approaches. To address this limitation we have developed a novel approximate probabilistic multiscale spatio-temporal meta model checking methodology for verifying multilevel computational models relative to specifications describing the desired/expected system behaviour. The methodology is generic and supports computational models encoded using various high-level modelling formalisms because it is defined relative to time series data and not the models used to generate it. In addition, the methodology can be automatically adapted to case study specific types of spatial structures and properties using the spatio-temporal meta model checking concept. To automate the computational model verification process we have implemented the model checking approach in the software tool Mule (http://mule.modelchecking.org). Its applicability is illustrated against four systems biology computational models previously published in the literature encoding the rat cardiovascular system dynamics, the uterine contractions of labour

  1. Computer Modelling «Smart Building»

    Directory of Open Access Journals (Sweden)

    O. Yu. Maryasin

    2016-01-01

    Full Text Available Currently ”Smart building” or ”Smart house” technology is developing actively in industrialized countries. The main idea of ”smart building” or ”smart house” is to have a system which is able to identify definite situations happening in house and respond accordingly. Automated house management system is made for automated control and management and also for organization of interaction between separated systems of engineering equipment. This system includes automation subsystems of one or another engineering equipment as separated components. In order to perform study of different functioning modes of engineering subsystems and the whole system, mathematical and computer modeling needs to be used. From mathematical point of veiw description of ”Smart building” is a continuous-discrete or hybrid system consisting of interacting elements of different nature, whose behavior is described by continuous and discrete processes. In the article the authors present a computer model ”Smart building” which allows to model the work of main engineering subsystems and management algorithms. The model is created in Simulink Matlab system with ”physical modeling” library Simscape and Stateflow library. The peculiarity of this model is the use of specialized management and control algorithms which allow providing coordinated interaction of subsystems and optimizing power consumption. 

  2. Materials and nanosystems : interdisciplinary computational modeling at multiple scales

    International Nuclear Information System (INIS)

    Huber, S.E.

    2014-01-01

    Over the last five decades, computer simulation and numerical modeling have become valuable tools complementing the traditional pillars of science, experiment and theory. In this thesis, several applications of computer-based simulation and modeling shall be explored in order to address problems and open issues in chemical and molecular physics. Attention shall be paid especially to the different degrees of interrelatedness and multiscale-flavor, which may - at least to some extent - be regarded as inherent properties of computational chemistry. In order to do so, a variety of computational methods are used to study features of molecular systems which are of relevance in various branches of science and which correspond to different spatial and/or temporal scales. Proceeding from small to large measures, first, an application in astrochemistry, the investigation of spectroscopic and energetic aspects of carbonic acid isomers shall be discussed. In this respect, very accurate and hence at the same time computationally very demanding electronic structure methods like the coupled-cluster approach are employed. These studies are followed by the discussion of an application in the scope of plasma-wall interaction which is related to nuclear fusion research. There, the interactions of atoms and molecules with graphite surfaces are explored using density functional theory methods. The latter are computationally cheaper than coupled-cluster methods and thus allow the treatment of larger molecular systems, but yield less accuracy and especially reduced error control at the same time. The subsequently presented exploration of surface defects at low-index polar zinc oxide surfaces, which are of interest in materials science and surface science, is another surface science application. The necessity to treat even larger systems of several hundreds of atoms requires the use of approximate density functional theory methods. Thin gold nanowires consisting of several thousands of

  3. Hispanic women overcoming deterrents to computer science: A phenomenological study

    Science.gov (United States)

    Herling, Lourdes

    The products of computer science are important to all aspects of society and are tools in the solution of the world's problems. It is, therefore, troubling that the United States faces a shortage in qualified graduates in computer science. The number of women and minorities in computer science is significantly lower than the percentage of the U.S. population which they represent. The overall enrollment in computer science programs has continued to decline with the enrollment of women declining at a higher rate than that of men. This study addressed three aspects of underrepresentation about which there has been little previous research: addressing computing disciplines specifically rather than embedding them within the STEM disciplines, what attracts women and minorities to computer science, and addressing the issues of race/ethnicity and gender in conjunction rather than in isolation. Since women of underrepresented ethnicities are more severely underrepresented than women in general, it is important to consider whether race and ethnicity play a role in addition to gender as has been suggested by previous research. Therefore, this study examined what attracted Hispanic women to computer science specifically. The study determines whether being subjected to multiple marginalizations---female and Hispanic---played a role in the experiences of Hispanic women currently in computer science. The study found five emergent themes within the experiences of Hispanic women in computer science. Encouragement and role models strongly influenced not only the participants' choice to major in the field, but to persist as well. Most of the participants experienced a negative atmosphere and feelings of not fitting in while in college and industry. The interdisciplinary nature of computer science was the most common aspect that attracted the participants to computer science. The aptitudes participants commonly believed are needed for success in computer science are the Twenty

  4. Model Checking Quantified Computation Tree Logic

    NARCIS (Netherlands)

    Rensink, Arend; Baier, C; Hermanns, H.

    2006-01-01

    Propositional temporal logic is not suitable for expressing properties on the evolution of dynamically allocated entities over time. In particular, it is not possible to trace such entities through computation steps, since this requires the ability to freely mix quantification and temporal

  5. Computer processing of dynamic scintigraphic studies

    International Nuclear Information System (INIS)

    Ullmann, V.

    1985-01-01

    The methods are discussed of the computer processing of dynamic scintigraphic studies which were developed, studied or implemented by the authors within research task no. 30-02-03 in nuclear medicine within the five year plan 1981 to 85. This was mainly the method of computer processing radionuclide angiography, phase radioventriculography, regional lung ventilation, dynamic sequential scintigraphy of kidneys and radionuclide uroflowmetry. The problems are discussed of the automatic definition of fields of interest, the methodology of absolute volumes of the heart chamber in radionuclide cardiology, the design and uses are described of the multipurpose dynamic phantom of heart activity for radionuclide angiocardiography and ventriculography developed within the said research task. All methods are documented with many figures showing typical clinical (normal and pathological) and phantom measurements. (V.U.)

  6. An integrated introduction to computer graphics and geometric modeling

    CERN Document Server

    Goldman, Ronald

    2009-01-01

    … this book may be the first book on geometric modelling that also covers computer graphics. In addition, it may be the first book on computer graphics that integrates a thorough introduction to 'freedom' curves and surfaces and to the mathematical foundations for computer graphics. … the book is well suited for an undergraduate course. … The entire book is very well presented and obviously written by a distinguished and creative researcher and educator. It certainly is a textbook I would recommend. …-Computer-Aided Design, 42, 2010… Many books concentrate on computer programming and soon beco

  7. Integrating Cloud-Computing-Specific Model into Aircraft Design

    Science.gov (United States)

    Zhimin, Tian; Qi, Lin; Guangwen, Yang

    Cloud Computing is becoming increasingly relevant, as it will enable companies involved in spreading this technology to open the door to Web 3.0. In the paper, the new categories of services introduced will slowly replace many types of computational resources currently used. In this perspective, grid computing, the basic element for the large scale supply of cloud services, will play a fundamental role in defining how those services will be provided. The paper tries to integrate cloud computing specific model into aircraft design. This work has acquired good results in sharing licenses of large scale and expensive software, such as CFD (Computational Fluid Dynamics), UG, CATIA, and so on.

  8. Markerless four-dimensional-cone beam computed tomography projection-phase sorting using prior knowledge and patient motion modeling: A feasibility study

    Directory of Open Access Journals (Sweden)

    Lei Zhang

    2017-01-01

    Conclusion: The study demonstrated the feasibility of using PCA coefficients for 4D-CBCT projection-phase sorting. High sorting accuracy in both digital phantoms and patient cases was achieved. This method provides an accurate and robust tool for automatic 4D-CBCT projection sorting using 3D motion modeling without the need of external surrogate or internal markers.

  9. SmartShadow models and methods for pervasive computing

    CERN Document Server

    Wu, Zhaohui

    2013-01-01

    SmartShadow: Models and Methods for Pervasive Computing offers a new perspective on pervasive computing with SmartShadow, which is designed to model a user as a personality ""shadow"" and to model pervasive computing environments as user-centric dynamic virtual personal spaces. Just like human beings' shadows in the physical world, it follows people wherever they go, providing them with pervasive services. The model, methods, and software infrastructure for SmartShadow are presented and an application for smart cars is also introduced.  The book can serve as a valuable reference work for resea

  10. GSTARS computer models and their applications, part I: theoretical development

    Science.gov (United States)

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

    2008-01-01

    GSTARS is a series of computer models developed by the U.S. Bureau of Reclamation for alluvial river and reservoir sedimentation studies while the authors were employed by that agency. The first version of GSTARS was released in 1986 using Fortran IV for mainframe computers. GSTARS 2.0 was released in 1998 for personal computer application with most of the code in the original GSTARS revised, improved, and expanded using Fortran IV/77. GSTARS 2.1 is an improved and revised GSTARS 2.0 with graphical user interface. The unique features of all GSTARS models are the conjunctive use of the stream tube concept and of the minimum stream power theory. The application of minimum stream power theory allows the determination of optimum channel geometry with variable channel width and cross-sectional shape. The use of the stream tube concept enables the simulation of river hydraulics using one-dimensional numerical solutions to obtain a semi-two- dimensional presentation of the hydraulic conditions along and across an alluvial channel. According to the stream tube concept, no water or sediment particles can cross the walls of stream tubes, which is valid for many natural rivers. At and near sharp bends, however, sediment particles may cross the boundaries of stream tubes. GSTARS3, based on FORTRAN 90/95, addresses this phenomenon and further expands the capabilities of GSTARS 2.1 for cohesive and non-cohesive sediment transport in rivers and reservoirs. This paper presents the concepts, methods, and techniques used to develop the GSTARS series of computer models, especially GSTARS3. ?? 2008 International Research and Training Centre on Erosion and Sedimentation and the World Association for Sedimentation and Erosion Research.

  11. Teacher's Guide for Computational Models of Animal Behavior: A Computer-Based Curriculum Unit to Accompany the Elementary Science Study Guide "Behavior of Mealworms." Artificial Intelligence Memo No. 432.

    Science.gov (United States)

    Abelson, Hal; Goldenberg, Paul

    This experimental curriculum unit suggests how dramatic innovations in classroom content may be achieved through use of computers. The computational perspective is viewed as one which can enrich and transform traditional curricula, act as a focus for integrating insights from diverse disciplines, and enable learning to become more active and…

  12. Computer-animated model of accommodation and presbyopia.

    Science.gov (United States)

    Goldberg, Daniel B

    2015-02-01

    To understand, demonstrate, and further research the mechanisms of accommodation and presbyopia. Private practice, Little Silver, New Jersey, USA. Experimental study. The CAMA 2.0 computer-animated model of accommodation and presbyopia was produced in collaboration with an experienced medical animator using Autodesk Maya animation software and Adobe After Effects. The computer-animated model demonstrates the configuration and synchronous movements of all accommodative elements. A new classification of the zonular apparatus based on structure and function is proposed. There are 3 divisions of zonular fibers; that is, anterior, crossing, and posterior. The crossing zonular fibers form a scaffolding to support the lens; the anterior and posterior zonular fibers work reciprocally to achieve focused vision. The model demonstrates the important support function of Weiger ligament. Dynamic movement of the ora serrata demonstrates that the forces of ciliary muscle contraction store energy for disaccommodation in the elastic choroid. The flow of aqueous and vitreous provides strong evidence for our understanding of the hydrodynamic interactions during the accommodative cycle. The interaction may result from the elastic stretch in the choroid transmitted to the vitreous rather than from vitreous pressue. The model supports the concept that presbyopia results from loss of elasticity and increasing ocular rigidity in both the lenticular and extralenticular structures. The computer-animated model demonstrates the structures of accommodation moving in synchrony and might enhance understanding of the mechanisms of accommodation and presbyopia. Dr. Goldberg is a consultant to Acevision, Inc., and Bausch & Lomb. Copyright © 2015 ASCRS and ESCRS. Published by Elsevier Inc. All rights reserved.

  13. Computational implementation of the multi-mechanism deformation coupled fracture model for salt

    International Nuclear Information System (INIS)

    Koteras, J.R.; Munson, D.E.

    1996-01-01

    The Multi-Mechanism Deformation (M-D) model for creep in rock salt has been used in three-dimensional computations for the Waste Isolation Pilot Plant (WIPP), a potential waste, repository. These computational studies are relied upon to make key predictions about long-term behavior of the repository. Recently, the M-D model was extended to include creep-induced damage. The extended model, the Multi-Mechanism Deformation Coupled Fracture (MDCF) model, is considerably more complicated than the M-D model and required a different technology from that of the M-D model for a computational implementation

  14. The computational study of adsorption of carbon monoxide on pristine and Ge-doped (6,0 zigzag models of BNNTs

    Directory of Open Access Journals (Sweden)

    Mahdi Rezaei Sameti

    2014-07-01

    Full Text Available The aim of this research is studying the effects of Ge-doped on CO adsorption on the outer and inner surfaces of (6, 0 zigzag model of boron nitride nanotube (BNNTs by using DFT theory. For this purpose, eight models of CO adsorption on the surfaces of BNNTs are considered. At first step, all structures were optimized at B3LYP and 6-31G (d standard base set and then the electronic structure, adsorption energy, HOMO - LUMO orbitals, gap energy, quantum molecular descriptors, and NQR parameters were determined. The bond lengths neighborhood sites of Ge-doped of BNNTs at all models were increased and the bond angles decreased. The small ad-sorption energy value and large interaction distance show that the adsorption of CO on BNNTs is weakly physical adsorption due to weak Van der Waals interaction. Our calculated results show that the adsorption of CO on the surface of undoped models is more favorable than Ge-doped models. The NQR parameters of the first layer in all the models are larger than those other layers.

  15. Computational study on full-wave inversion based on the acoustic wave-equation; Onkyoha hado hoteishiki full wave inversion no model keisan ni yoru kento

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, T; Sassa, K [Kyoto University, Kyoto (Japan); Uesaka, S [Kyoto University, Kyoto (Japan). Faculty of Engineering

    1996-10-01

    The effect of initial models on full-wave inversion (FWI) analysis based on acoustic wave-equation was studied for elastic wave tomography of underground structures. At present, travel time inversion using initial motion travel time is generally used, and inverse analysis is conducted using the concept `ray,` assuming very high wave frequency. Although this method can derive stable solutions relatively unaffected by initial model, it uses only the data of initial motion travel time. FWI calculates theoretical waveform at each receiver using all of observed waveforms as data by wave equation modeling where 2-D underground structure is calculated by difference calculus under the assumption that wave propagation is described by wave equation of P wave. Although it is a weak point that FWI is easily affected by noises in an initial model and data, it is featured by high resolution of solutions. This method offers very excellent convergence as a proper initial model is used, resulting in sufficient performance, however, it is strongly affected by initial model. 2 refs., 7 figs., 1 tab.

  16. Computational Modeling of Arc-Slag Interaction in DC Furnaces

    Science.gov (United States)

    Reynolds, Quinn G.

    2017-02-01

    The plasma arc is central to the operation of the direct-current arc furnace, a unit operation commonly used in high-temperature processing of both primary ores and recycled metals. The arc is a high-velocity, high-temperature jet of ionized gas created and sustained by interactions among the thermal, momentum, and electromagnetic fields resulting from the passage of electric current. In addition to being the primary source of thermal energy, the arc jet also couples mechanically with the bath of molten process material within the furnace, causing substantial splashing and stirring in the region in which it impinges. The arc's interaction with the molten bath inside the furnace is studied through use of a multiphase, multiphysics computational magnetohydrodynamic model developed in the OpenFOAM® framework. Results from the computational solver are compared with empirical correlations that account for arc-slag interaction effects.

  17. Computer modeling of ORNL storage tank sludge mobilization and mixing

    International Nuclear Information System (INIS)

    Terrones, G.; Eyler, L.L.

    1993-09-01

    This report presents and analyzes the results of the computer modeling of mixing and mobilization of sludge in horizontal, cylindrical storage tanks using submerged liquid jets. The computer modeling uses the TEMPEST computational fluid dynamics computer program. The horizontal, cylindrical storage tank configuration is similar to the Melton Valley Storage Tanks (MVST) at Oak Ridge National (ORNL). The MVST tank contents exhibit non-homogeneous, non-Newtonian rheology characteristics. The eventual goals of the simulations are to determine under what conditions sludge mobilization using submerged liquid jets is feasible in tanks of this configuration, and to estimate mixing times required to approach homogeneity of the contents of the tanks

  18. What can be learned from computer modeling? Comparing expository and modeling approaches to teaching dynamic systems behavior

    NARCIS (Netherlands)

    van Borkulo, S.P.; van Joolingen, W.R.; Savelsbergh, E.R.; de Jong, T.

    2012-01-01

    Computer modeling has been widely promoted as a means to attain higher order learning outcomes. Substantiating these benefits, however, has been problematic due to a lack of proper assessment tools. In this study, we compared computer modeling with expository instruction, using a tailored assessment

  19. A Computational Model of Cellular Engraftment on Lung Scaffolds

    Directory of Open Access Journals (Sweden)

    Joshua J. Pothen

    2016-10-01

    Full Text Available The possibility that stem cells might be used to regenerate tissue is now being investigated for a variety of organs, but these investigations are still essentially exploratory and have few predictive tools available to guide experimentation. We propose, in this study, that the field of lung tissue regeneration might be better served by predictive tools that treat stem cells as agents that obey certain rules of behavior governed by both their phenotype and their environment. Sufficient knowledge of these rules of behavior would then, in principle, allow lung tissue development to be simulated computationally. Toward this end, we developed a simple agent-based computational model to simulate geographic patterns of cells seeded onto a lung scaffold. Comparison of the simulated patterns to those observed experimentally supports the hypothesis that mesenchymal stem cells proliferate preferentially toward the scaffold boundary, whereas alveolar epithelial cells do not. This demonstrates that a computational model of this type has the potential to assist in the discovery of rules of cellular behavior

  20. A Computational Model of Cellular Engraftment on Lung Scaffolds.

    Science.gov (United States)

    Pothen, Joshua J; Rajendran, Vignesh; Wagner, Darcy; Weiss, Daniel J; Smith, Bradford J; Ma, Baoshun; Bates, Jason H T

    2016-01-01

    The possibility that stem cells might be used to regenerate tissue is now being investigated for a variety of organs, but these investigations are still essentially exploratory and have few predictive tools available to guide experimentation. We propose, in this study, that the field of lung tissue regeneration might be better served by predictive tools that treat stem cells as agents that obey certain rules of behavior governed by both their phenotype and their environment. Sufficient knowledge of these rules of behavior would then, in principle, allow lung tissue development to be simulated computationally. Toward this end, we developed a simple agent-based computational model to simulate geographic patterns of cells seeded onto a lung scaffold. Comparison of the simulated patterns to those observed experimentally supports the hypothesis that mesenchymal stem cells proliferate preferentially toward the scaffold boundary, whereas alveolar epithelial cells do not. This demonstrates that a computational model of this type has the potential to assist in the discovery of rules of cellular behavior.