WorldWideScience

Sample records for public domain simulation

  1. PUBLIC DOMAIN PROTECTION. USES AND REUSES OF PUBLIC DOMAIN WORKS

    Directory of Open Access Journals (Sweden)

    Monica Adriana LUPAȘCU

    2015-07-01

    Full Text Available This study tries to highlight the necessity of an awareness of the right of access to the public domain, particularly using the example of works whose protection period has expired, as well as the ones which the law considers to be excluded from protection. Such works are used not only by large libraries from around the world, but also by rights holders, via different means of use, including incorporations into original works or adaptations. However, the reuse that follows these uses often only remains at the level of concept, as the notion of the public’s right of access to public domain works is not substantiated, nor is the notion of the correct or legal use of such works.

  2. Public Domain; Public Interest; Public Funding: Focussing on the ‘three Ps’ in Scientific Research

    Directory of Open Access Journals (Sweden)

    Mags McGinley

    2005-03-01

    Full Text Available The purpose of this paper is to discuss the ‘three Ps’ of scientific research: Public Domain; Public Interest; Public Funding. This is done by examining some of the difficulties faced by scientists engaged in scientific research who may have problems working within the constraints of current copyright and database legislation, where property claims can place obstacles in the way of research, in other words, the public domain. The article then looks at perceptions of the public interest and asks whether copyright and the database right reflect understandings of how this concept should operate. Thirdly, it considers the relevance of public funding for scientific research in the context of both the public domain and of the public interest. Finally, some recent initiatives seeking to change the contours of the legal framework are be examined.

  3. Violence defied? : A review of prevention of violence in public and semi-public domain

    NARCIS (Netherlands)

    Knaap, L.M. van der; Nijssen, L.T.J.; Bogaerts, S.

    2006-01-01

    This report provides a synthesis of 48 studies of the effects of the prevention of violence in the public and semi-public domain. The following research questions were states for this study:What measures for the prevention of violence in the public and semi-public domain are known and have been

  4. Public licenses and public domain as alternatives to copyright

    OpenAIRE

    Köppel, Petr

    2012-01-01

    The work first introduces the area of public licenses as a space between the copyright law and public domain. After that, consecutively for proprietary software, free and open source software, open hardware and open content, it maps particular types of public licenses and the accompanying social and cultural movements, puts them in mutual as well as historical context, examines their characteristics and compares them to each other, shows how the public licenses are defined by various accompan...

  5. Preserving the positive functions of the public domain in science

    Directory of Open Access Journals (Sweden)

    Pamela Samuelson

    2003-11-01

    Full Text Available Science has advanced in part because data and scientific methodologies have traditionally not been subject to intellectual property protection. In recent years, intellectual property has played a greater role in scientific work. While intellectual property rights may have a positive role to play in some fields of science, so does the public domain. This paper will discuss some of the positive functions of the public domain and ways in which certain legal developments may negatively impact the public domain. It suggests some steps that scientists can take to preserve the positive functions of the public domain for science.

  6. Agents unleashed a public domain look at agent technology

    CERN Document Server

    Wayner, Peter

    1995-01-01

    Agents Unleashed: A Public Domain Look at Agent Technology covers details of building a secure agent realm. The book discusses the technology for creating seamlessly integrated networks that allow programs to move from machine to machine without leaving a trail of havoc; as well as the technical details of how an agent will move through the network, prove its identity, and execute its code without endangering the host. The text also describes the organization of the host's work processing an agent; error messages, bad agent expulsion, and errors in XLISP-agents; and the simulators of errors, f

  7. Time-Domain Simulation of RF Couplers

    International Nuclear Information System (INIS)

    Smithe, David; Carlsson, Johan; Austin, Travis

    2009-01-01

    We have developed a finite-difference time-domain (FDTD) fluid-like approach to integrated plasma-and-coupler simulation [1], and show how it can be used to model LH and ICRF couplers in the MST and larger tokamaks.[2] This approach permits very accurate 3-D representation of coupler geometry, and easily includes non-axi-symmetry in vessel wall, magnetic equilibrium, and plasma density. The plasma is integrated with the FDTD Maxwell solver in an implicit solve that steps over electron time-scales, and permits tenuous plasma in the coupler itself, without any need to distinguish or interface between different regions of vacuum and/or plasma. The FDTD algorithm is also generalized to incorporate a time-domain sheath potential [3] on metal structures within the simulation, to look for situations where the sheath potential might generate local sputtering opportunities. Benchmarking of the time-domain sheath algorithm has been reported in the references. Finally, the time-domain software [4] permits the use of particles, either as field diagnostic (test particles) or to self-consistently compute plasma current from the applied RF power.

  8. Agent-based Simulation of the Maritime Domain

    Directory of Open Access Journals (Sweden)

    O. Vaněk

    2010-01-01

    Full Text Available In this paper, a multi-agent based simulation platform is introduced that focuses on legitimate and illegitimate aspects of maritime traffic, mainly on intercontinental transport through piracy afflicted areas. The extensible architecture presented here comprises several modules controlling the simulation and the life-cycle of the agents, analyzing the simulation output and visualizing the entire simulated domain. The simulation control module is initialized by various configuration scenarios to simulate various real-world situations, such as a pirate ambush, coordinated transit through a transport corridor, or coastal fishing and local traffic. The environmental model provides a rich set of inputs for agents that use the geo-spatial data and the vessel operational characteristics for their reasoning. The agent behavior model based on finite state machines together with planning algorithms allows complex expression of agent behavior, so the resulting simulation output can serve as a substitution for real world data from the maritime domain.

  9. The Definition, Dimensions, and Domain of Public Relations.

    Science.gov (United States)

    Hutton, James G.

    1999-01-01

    Discusses how the field of public relations has left itself vulnerable to other fields that are making inroads into public relations' traditional domain, and to critics who are filling in their own definitions of public relations. Proposes a definition and a three-dimensional framework to compare competing philosophies of public relations and to…

  10. Time Domain Partitioning of Electricity Production Cost Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Barrows, C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hummon, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Jones, W. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hale, E. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2014-01-01

    Production cost models are often used for planning by simulating power system operations over long time horizons. The simulation of a day-ahead energy market can take several weeks to compute. Tractability improvements are often made through model simplifications, such as: reductions in transmission modeling detail, relaxation of commitment variable integrality, reductions in cost modeling detail, etc. One common simplification is to partition the simulation horizon so that weekly or monthly horizons can be simulated in parallel. However, horizon partitions are often executed with overlap periods of arbitrary and sometimes zero length. We calculate the time domain persistence of historical unit commitment decisions to inform time domain partitioning of production cost models. The results are implemented using PLEXOS production cost modeling software in an HPC environment to improve the computation time of simulations while maintaining solution integrity.

  11. A new scaling approach for the mesoscale simulation of magnetic domain structures using Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Radhakrishnan, B., E-mail: radhakrishnb@ornl.gov; Eisenbach, M.; Burress, T.A.

    2017-06-15

    Highlights: • Developed new scaling technique for dipole–dipole interaction energy. • Developed new scaling technique for exchange interaction energy. • Used scaling laws to extend atomistic simulations to micrometer length scale. • Demonstrated transition from mono-domain to vortex magnetic structure. • Simulated domain wall width and transition length scale agree with experiments. - Abstract: A new scaling approach has been proposed for the spin exchange and the dipole–dipole interaction energy as a function of the system size. The computed scaling laws are used in atomistic Monte Carlo simulations of magnetic moment evolution to predict the transition from single domain to a vortex structure as the system size increases. The width of a 180° – domain wall extracted from the simulated structures is in close agreement with experimentally values for an F–Si alloy. The transition size from a single domain to a vortex structure is also in close agreement with theoretically predicted and experimentally measured values for Fe.

  12. Membrane Sculpting by F-BAR Domains Studied by Molecular Dynamics Simulations

    Science.gov (United States)

    Yu, Hang; Schulten, Klaus

    2013-01-01

    Interplay between cellular membranes and their peripheral proteins drives many processes in eukaryotic cells. Proteins of the Bin/Amphiphysin/Rvs (BAR) domain family, in particular, play a role in cellular morphogenesis, for example curving planar membranes into tubular membranes. However, it is still unclear how F-BAR domain proteins act on membranes. Electron microscopy revealed that, in vitro, F-BAR proteins form regular lattices on cylindrically deformed membrane surfaces. Using all-atom and coarse-grained (CG) molecular dynamics simulations, we show that such lattices, indeed, induce tubes of observed radii. A 250 ns all-atom simulation reveals that F-BAR domain curves membranes via the so-called scaffolding mechanism. Plasticity of the F-BAR domain permits conformational change in response to membrane interaction, via partial unwinding of the domains 3-helix bundle structure. A CG simulation covering more than 350 µs provides a dynamic picture of membrane tubulation by lattices of F-BAR domains. A series of CG simulations identified the optimal lattice type for membrane sculpting, which matches closely the lattices seen through cryo-electron microscopy. PMID:23382665

  13. Simulation-Based Learning Environments to Teach Complexity: The Missing Link in Teaching Sustainable Public Management

    Directory of Open Access Journals (Sweden)

    Michael Deegan

    2014-05-01

    Full Text Available While public-sector management problems are steeped in positivistic and socially constructed complexity, public management education in the management of complexity lags behind that of business schools, particularly in the application of simulation-based learning. This paper describes a Simulation-Based Learning Environment for public management education that includes a coupled case study and System Dynamics simulation surrounding flood protection, a domain where stewardship decisions regarding public infrastructure and investment have direct and indirect effects on businesses and the public. The Pointe Claire case and CoastalProtectSIM simulation provide a platform for policy experimentation under conditions of exogenous uncertainty (weather and climate change as well as endogenous effects generated by structure. We discuss the model in some detail, and present teaching materials developed to date to support the use of our work in public administration curricula. Our experience with this case demonstrates the potential of this approach to motivate sustainable learning about complexity in public management settings and enhance learners’ competency to deal with complex dynamic problems.

  14. Regional climate simulations with COSMO-CLM over MENA-CORDEX domain

    Science.gov (United States)

    Galluccio, Salvatore; Bucchignani, Edoardo; Mercogliano, Paola; Montesarchio, Myriam

    2014-05-01

    In the frame of WCRP Coordinated Regional Downscaling Experiment (CORDEX), a set of common Regional Climate Downscaling (RCD) domains has been defined, as a prerequisite for the development of model evaluation and climate projection frameworks. CORDEX domains encompass the majority of land areas of the world. In this work, climate simulations have been performed over MENA-CORDEX domain, which includes North-Africa, southern Europe and the whole Arabian peninsula. The non-hydrostatic regional climate model COSMO-CLM has been used. At CMCC, regional climate modelling is a part of an integrated simulation system and it has been used in different European and African projects to provide qualitative and quantitative evaluation of the hydrogeological and public health risks. A series of simulations has been conducted over the MENA-CORDEX area at spatial resolution of 0.44°. A sensitivity analysis was conducted to adjust the model configuration to better reproduce the observed climate data. The numerical simulations were driven by ERA-Interim reanalysis (horizontal resolution of 0.703°) for the period 1979-1984; the first year, was considered as a spin up period. The validation was performed by using several data sets: CRU data set was used to validate temperature, precipitation and cloud cover; MERRA data set was used to validate temperature and precipitation and GPCP for precipitation. The model sensitivity to the external parameters was tested considering two different configurations for the surface albedo. In the first one, albedo is only function of soil-type whereas in the second configuration it is prescribed by two external fields for dry and saturated soil based on MODIS data. Moreover, we tested two aerosol distributions as well, namely the default Tanre aerosol distribution and aerosol maps according to Tegen (NASA/GISS). We found, as expected, a significant sensitivity, in particular on the African region. We also varied tuning and physical parameters, such

  15. Cultural Heritage and the Public Domain

    Directory of Open Access Journals (Sweden)

    Bas Savenije

    2012-09-01

    by providing their resources on the Internet” (Berlin Declaration 2003. Therefore, in the spirit of the Berlin Declaration, the ARL encourages its members’ libraries to grant all non-commercial users “a free, irrevocable, worldwide, right of access to, and a license to copy, use, distribute, transmit and display the work publicly and to make and distribute derivative works, in any digital medium for any responsible purpose, subject to proper attribution of authorship”. And: “If fees are to be assessed for the use of digitised public domain works, those fees should only apply to commercial uses” (ARL Principles July 2010. In our view, cultural heritage institutions should make public domain material digitised with public funding as widely available as possible for access and reuse. The public sector has the primary responsibility to fund digitisation. The involvement of private partners, however, is encouraged by ARL as well as the Comité des Sages. Private funding for digitisation is a complement to the necessary public investment, especially in times of economic crisis, but should not be seen as a substitute for public funding. As we can see from these reports there are a number of arguments in favour of digitisation and also of providing maximum accessibility to the digitised cultural heritage. In this paper we will investigate the legal aspects of digitisation of cultural heritage, especially public domain material. On the basis of these we will make an inventory of policy considerations regarding reuse. Furthermore, we will describe the conclusions the National Library of the Netherlands (hereafter: KB has formulated and the arguments that support these. In this context we will review public-private partnerships and also the policy of the KB. We will conclude with recommendations for cultural heritage institutions concerning a reuse policy for digitised public domain material.

  16. Lattice gas simulations of replicating domains

    International Nuclear Information System (INIS)

    Dawson, S.P.; Hasslacher, B.; Pearson, J.E.

    1993-01-01

    We use the lattice gas cellular automation (LGCA) developed to simulate a process of pattern-formation recently observed in reaction-diffusion systems. We study the reaction mechanism, which is an extension of the Selkov model for glycolytic oscillations. We are able to reproduce the self-replicating domains observed in this work. We use the LGCA simulation to estimate the smallest length-scale on which this process can occur under conditions encountered in the cell. These estimates are similar to those obtained for Turing patterns in the same setting

  17. Lattice gas simulations of replicating domains

    Energy Technology Data Exchange (ETDEWEB)

    Dawson, S.P.; Hasslacher, B.; Pearson, J.E.

    1993-12-31

    We use the lattice gas cellular automation (LGCA) developed to simulate a process of pattern-formation recently observed in reaction-diffusion systems. We study the reaction mechanism, which is an extension of the Selkov model for glycolytic oscillations. We are able to reproduce the self-replicating domains observed in this work. We use the LGCA simulation to estimate the smallest length-scale on which this process can occur under conditions encountered in the cell. These estimates are similar to those obtained for Turing patterns in the same setting.

  18. Numerical simulation of electromagnetic wave propagation using time domain meshless method

    International Nuclear Information System (INIS)

    Ikuno, Soichiro; Fujita, Yoshihisa; Itoh, Taku; Nakata, Susumu; Nakamura, Hiroaki; Kamitani, Atsushi

    2012-01-01

    The electromagnetic wave propagation in various shaped wave guide is simulated by using meshless time domain method (MTDM). Generally, Finite Differential Time Domain (FDTD) method is applied for electromagnetic wave propagation simulation. However, the numerical domain should be divided into rectangle meshes if FDTD method is applied for the simulation. On the other hand, the node disposition of MTDM can easily describe the structure of arbitrary shaped wave guide. This is the large advantage of the meshless time domain method. The results of computations show that the damping rate is stably calculated in case with R < 0.03, where R denotes a support radius of the weight function for the shape function. And the results indicate that the support radius R of the weight functions should be selected small, and monomials must be used for calculating the shape functions. (author)

  19. DRK methods for time-domain oscillator simulation

    NARCIS (Netherlands)

    Sevat, M.F.; Houben, S.H.M.J.; Maten, ter E.J.W.; Di Bucchianico, A.; Mattheij, R.M.M.; Peletier, M.A.

    2006-01-01

    This paper presents a new Runge-Kutta type integration method that is well-suited for time-domain simulation of oscillators. A unique property of the new method is that its damping characteristics can be controlled by a continuous parameter.

  20. The Optimization of the Local Public Policies’ Development Process Through Modeling And Simulation

    Directory of Open Access Journals (Sweden)

    Minodora URSĂCESCU

    2012-06-01

    Full Text Available The local public policies development in Romania represents an empirically realized measure, the strategic management practices in this domain not being based on a scientific instrument capable to anticipate and evaluate the results of implementing a local public policy in a logic of needs-policies-effects type. Beginning from this motivation, the purpose of the paper resides in the reconceptualization of the public policies process on functioning principles of the dynamic systems with inverse connection, by means of mathematical modeling and techniques simulation. Therefore, the research is oriented in the direction of developing an optimization method for the local public policies development process, using as instruments the mathematical modeling and the techniques simulation. The research’s main results are on the one side constituted by generating a new process concept of the local public policies, and on the other side by proposing the conceptual model of a complex software product which will permit the parameterized modeling in a virtual environment of these policies development process. The informatic product’s finality resides in modeling and simulating each local public policy type, taking into account the respective policy’s characteristics, but also the value of their appliance environment parameters in a certain moment.

  1. The Simulation Realization of Pavement Roughness in the Time Domain

    Science.gov (United States)

    XU, H. L.; He, L.; An, D.

    2017-10-01

    As the needs for the dynamic study on the vehicle-pavement system and the simulated vibration table test, how to simulate the pavement roughness actually is important guarantee for whether calculation and test can reflect the actual situation or not. Using the power spectral density function, the simulation of pavement roughness can be realized by Fourier inverse transform. The main idea of this method was that the spectrum amplitude and random phase were obtained separately according to the power spectrum, and then the simulation of pavement roughness was obtained in the time domain through the Fourier inverse transform (IFFT). In the process, the sampling interval (Δl) was 0.1m, and the sampling points(N) was 4096, which satisfied the accuracy requirements. Using this method, the simulate results of pavement roughness (A~H grades) were obtain in the time domain.

  2. Combinatorial geometry domain decomposition strategies for Monte Carlo simulations

    Energy Technology Data Exchange (ETDEWEB)

    Li, G.; Zhang, B.; Deng, L.; Mo, Z.; Liu, Z.; Shangguan, D.; Ma, Y.; Li, S.; Hu, Z. [Institute of Applied Physics and Computational Mathematics, Beijing, 100094 (China)

    2013-07-01

    Analysis and modeling of nuclear reactors can lead to memory overload for a single core processor when it comes to refined modeling. A method to solve this problem is called 'domain decomposition'. In the current work, domain decomposition algorithms for a combinatorial geometry Monte Carlo transport code are developed on the JCOGIN (J Combinatorial Geometry Monte Carlo transport INfrastructure). Tree-based decomposition and asynchronous communication of particle information between domains are described in the paper. Combination of domain decomposition and domain replication (particle parallelism) is demonstrated and compared with that of MERCURY code. A full-core reactor model is simulated to verify the domain decomposition algorithms using the Monte Carlo particle transport code JMCT (J Monte Carlo Transport Code), which has being developed on the JCOGIN infrastructure. Besides, influences of the domain decomposition algorithms to tally variances are discussed. (authors)

  3. Combinatorial geometry domain decomposition strategies for Monte Carlo simulations

    International Nuclear Information System (INIS)

    Li, G.; Zhang, B.; Deng, L.; Mo, Z.; Liu, Z.; Shangguan, D.; Ma, Y.; Li, S.; Hu, Z.

    2013-01-01

    Analysis and modeling of nuclear reactors can lead to memory overload for a single core processor when it comes to refined modeling. A method to solve this problem is called 'domain decomposition'. In the current work, domain decomposition algorithms for a combinatorial geometry Monte Carlo transport code are developed on the JCOGIN (J Combinatorial Geometry Monte Carlo transport INfrastructure). Tree-based decomposition and asynchronous communication of particle information between domains are described in the paper. Combination of domain decomposition and domain replication (particle parallelism) is demonstrated and compared with that of MERCURY code. A full-core reactor model is simulated to verify the domain decomposition algorithms using the Monte Carlo particle transport code JMCT (J Monte Carlo Transport Code), which has being developed on the JCOGIN infrastructure. Besides, influences of the domain decomposition algorithms to tally variances are discussed. (authors)

  4. Self-consistent field theory simulations of polymers on arbitrary domains

    Energy Technology Data Exchange (ETDEWEB)

    Ouaknin, Gaddiel, E-mail: gaddielouaknin@umail.ucsb.edu [Department of Mechanical Engineering, University of California, Santa Barbara, CA 93106-5070 (United States); Laachi, Nabil; Delaney, Kris [Materials Research Laboratory, University of California, Santa Barbara, CA 93106-5080 (United States); Fredrickson, Glenn H. [Materials Research Laboratory, University of California, Santa Barbara, CA 93106-5080 (United States); Department of Chemical Engineering, University of California, Santa Barbara, CA 93106-5080 (United States); Department of Materials, University of California, Santa Barbara, CA 93106-5050 (United States); Gibou, Frederic [Department of Mechanical Engineering, University of California, Santa Barbara, CA 93106-5070 (United States); Department of Computer Science, University of California, Santa Barbara, CA 93106-5110 (United States)

    2016-12-15

    We introduce a framework for simulating the mesoscale self-assembly of block copolymers in arbitrary confined geometries subject to Neumann boundary conditions. We employ a hybrid finite difference/volume approach to discretize the mean-field equations on an irregular domain represented implicitly by a level-set function. The numerical treatment of the Neumann boundary conditions is sharp, i.e. it avoids an artificial smearing in the irregular domain boundary. This strategy enables the study of self-assembly in confined domains and enables the computation of physically meaningful quantities at the domain interface. In addition, we employ adaptive grids encoded with Quad-/Oc-trees in parallel to automatically refine the grid where the statistical fields vary rapidly as well as at the boundary of the confined domain. This approach results in a significant reduction in the number of degrees of freedom and makes the simulations in arbitrary domains using effective boundary conditions computationally efficient in terms of both speed and memory requirement. Finally, in the case of regular periodic domains, where pseudo-spectral approaches are superior to finite differences in terms of CPU time and accuracy, we use the adaptive strategy to store chain propagators, reducing the memory footprint without loss of accuracy in computed physical observables.

  5. Error analysis of a public domain pronunciation dictionary

    CSIR Research Space (South Africa)

    Martirosian, O

    2007-11-01

    Full Text Available ], a popular public domain resource that is widely used in English speech processing systems. The techniques being investigated are applied to the lexicon and the results of each step are illustrated using sample entries. The authors found that as many...

  6. Wideband Radar Echo Frequency-domain Simulation and Analysis for High Speed Moving Targets

    Directory of Open Access Journals (Sweden)

    Ning Chao

    2014-04-01

    Full Text Available A frequency-domain method is proposed for wideband radar echo simulation of high-speed moving targets. Based on the physical process of electromagnetic waves observing a moving target, a frequency-domain echo model of wideband radar is constructed, and the block diagram of the radar echo simulation in frequency-domain is presented. Then, the impacts of radial velocity and slant range on the matching filtering of LFM radar are analyzed, and some quantitative conclusions on the shift and expansion of the radar profiles are obtained. Simulation results illustrate the correctness and efficiency of the proposed method.

  7. Mechanism of mRNA-STAR domain interaction: Molecular dynamics simulations of Mammalian Quaking STAR protein.

    Science.gov (United States)

    Sharma, Monika; Anirudh, C R

    2017-10-03

    STAR proteins are evolutionary conserved mRNA-binding proteins that post-transcriptionally regulate gene expression at all stages of RNA metabolism. These proteins possess conserved STAR domain that recognizes identical RNA regulatory elements as YUAAY. Recently reported crystal structures show that STAR domain is composed of N-terminal QUA1, K-homology domain (KH) and C-terminal QUA2, and mRNA binding is mediated by KH-QUA2 domain. Here, we present simulation studies done to investigate binding of mRNA to STAR protein, mammalian Quaking protein (QKI). We carried out conventional MD simulations of STAR domain in presence and absence of mRNA, and studied the impact of mRNA on the stability, dynamics and underlying allosteric mechanism of STAR domain. Our unbiased simulations results show that presence of mRNA stabilizes the overall STAR domain by reducing the structural deviations, correlating the 'within-domain' motions, and maintaining the native contacts information. Absence of mRNA not only influenced the essential modes of motion of STAR domain, but also affected the connectivity of networks within STAR domain. We further explored the dissociation of mRNA from STAR domain using umbrella sampling simulations, and the results suggest that mRNA binding to STAR domain occurs in multi-step: first conformational selection of mRNA backbone conformations, followed by induced fit mechanism as nucleobases interact with STAR domain.

  8. Monte Carlo Simulation of Ferroelectric Domain Structure and Applied Field Response in Two Dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Potter, Jr., B.G.; Tikare, V.; Tuttle, B.A.

    1999-06-30

    A 2-D, lattice-Monte Carlo approach was developed to simulate ferroelectric domain structure. The model currently utilizes a Hamiltonian for the total energy based only upon electrostatic terms involving dipole-dipole interactions, local polarization gradients and the influence of applied electric fields. The impact of boundary conditions on the domain configurations obtained was also examined. In general, the model exhibits domain structure characteristics consistent with those observed in a tetragonally distorted ferroelectric. The model was also extended to enable the simulation of ferroelectric hysteresis behavior. Simulated hysteresis loops were found to be very similar in appearance to those observed experimentally in actual materials. This qualitative agreement between the simulated hysteresis loop characteristics and real ferroelectric behavior was also confirmed in simulations run over a range of simulation temperatures and applied field frequencies.

  9. An FFT-accelerated time-domain multiconductor transmission line simulator

    KAUST Repository

    Bagci, Hakan

    2010-02-01

    A fast time-domain multiconductor transmission line (MTL) simulator for analyzing general MTL networks is presented. The simulator models the networks as homogeneous MTLs that are excited by external fields and driven/terminated/ connected by potentially nonlinear lumped circuitry. It hybridizes an MTL solver derived from time-domain integral equations (TDIEs) in unknown wave coefficients for each MTL with a circuit solver rooted in modified nodal analysis equations in unknown node voltages and voltage-source currents for each circuit. These two solvers are rigorously interfaced at MTL and circuit terminals, and the resulting coupled system of equations is solved simultaneously for all MTL and circuit unknowns at each time step. The proposed simulator is amenable to hybridization, is fast Fourier transform (FFT)-accelerated, and is highly accurate: 1) It can easily be hybridized with TDIE-based field solvers (in a fully rigorous mathematical framework) for performing electromagnetic interference and compatibility analysis on electrically large and complex structures loaded with MTL networks. 2) It is accelerated by an FFT algorithm that calculates temporal convolutions of time-domain MTL Green functions in only O(Ntlog2 N t) rather than O(Ntt2) operations, where N t is the number of time steps of simulation. Moreover, the algorithm, which operates on temporal samples of MTL Green functions, is indifferent to the method used to obtain them. 3) It approximates MTL voltages, currents, and wave coefficients, using high-order temporal basis functions. Various numerical examples, including the crosstalk analysis of a (twisted) unshielded twisted-pair (UTP)-CAT5 cable and the analysis of field coupling into UTP-CAT5 and RG-58 cables located on an airplane, are presented to demonstrate the accuracy, efficiency, and versatility of the proposed simulator. © 2010 IEEE.

  10. Computer-Based Simulation Games in Public Administration Education

    OpenAIRE

    Kutergina Evgeniia

    2017-01-01

    Computer simulation, an active learning technique, is now one of the advanced pedagogical technologies. Th e use of simulation games in the educational process allows students to gain a firsthand understanding of the processes of real life. Public- administration, public-policy and political-science courses increasingly adopt simulation games in universities worldwide. Besides person-to-person simulation games, there are computer-based simulations in public-administration education. Currently...

  11. Towards development of a high quality public domain global roads database

    Directory of Open Access Journals (Sweden)

    Andrew Nelson

    2006-12-01

    Full Text Available There is clear demand for a global spatial public domain roads data set with improved geographic and temporal coverage, consistent coding of road types, and clear documentation of sources. The currently best available global public domain product covers only one-quarter to one-third of the existing road networks, and this varies considerably by region. Applications for such a data set span multiple sectors and would be particularly valuable for the international economic development, disaster relief, and biodiversity conservation communities, not to mention national and regional agencies and organizations around the world. The building blocks for such a global product are available for many countries and regions, yet thus far there has been neither strategy nor leadership for developing it. This paper evaluates the best available public domain and commercial data sets, assesses the gaps in global coverage, and proposes a number of strategies for filling them. It also identifies stakeholder organizations with an interest in such a data set that might either provide leadership or funding for its development. It closes with a proposed set of actions to begin the process.

  12. Acquisition of a Multi-Domain Advanced Real-Time Simulator to Support DoD-focused Interdisciplinary Research at CSUB

    Science.gov (United States)

    2017-10-17

    SECURITY CLASSIFICATION OF: 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6...0704-0188 3. DATES COVERED (From - To) - Approved for public release; distribution is unlimited. UU UU UU UU 17-10-2017 25-Jul-2016 24-Jul-2017 Final...Report: Acquisition of a Multi-Domain Advanced Real- Time Simulator to Support DoD-focused Interdisciplinary Research at CSUB The views, opinions and

  13. Mapping 180° polar domains using electron backscatter diffraction and dynamical scattering simulations

    Energy Technology Data Exchange (ETDEWEB)

    Burch, Matthew J.; Fancher, Chris M.; Patala, Srikanth [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC (United States); De Graef, Marc [Department of Materials Science and Engineering, Carnegie Mellon University, Pittsburg, PA (United States); Dickey, Elizabeth C. [Department of Materials Science and Engineering, North Carolina State University, Raleigh, NC (United States)

    2017-02-15

    A novel technique, which directly and nondestructively maps polar domains using electron backscatter diffraction (EBSD) is described and demonstrated. Through dynamical diffraction simulations and quantitative comparison to experimental EBSD patterns, the absolute orientation of a non-centrosymmetric crystal can be determined. With this information, the polar domains of a material can be mapped. The technique is demonstrated by mapping the non-ferroelastic, or 180°, ferroelectric domains in periodically poled LiNbO{sub 3} single crystals. Further, the authors demonstrate the possibility of mapping polarity using this technique in other polar materials system. - Highlights: • A novel technique to directly polar domains utilizing EBSD is demonstrated. • The technique relies on dynamical diffraction simulations of EBSD patterns. • The technique is demonstrated by mapping 180° domains in LiNbO{sub 3} single crystals. • Further application of this technique to other materials classes is discussed.

  14. Simulation of power fluctuation of wind farms based on frequency domain

    DEFF Research Database (Denmark)

    Lin, Jin; Sun, Yuanzhang; Li, Guojie

    2011-01-01

    , however, is incapable of completely explaining the physical mechanism of randomness of power fluctuation. To remedy such a situation, fluctuation modeling based on the frequency domain is proposed. The frequency domain characteristics of stochastic fluctuation on large wind farms are studied using...... the power spectral density of wind speed, the frequency domain model of a wind power generator and the information on weather and geography of the wind farms. The correctness and effectiveness of the model are verified by comparing the measurement data with simulation results of a certain wind farm. © 2011...

  15. Cost efficient CFD simulations: Proper selection of domain partitioning strategies

    Science.gov (United States)

    Haddadi, Bahram; Jordan, Christian; Harasek, Michael

    2017-10-01

    Computational Fluid Dynamics (CFD) is one of the most powerful simulation methods, which is used for temporally and spatially resolved solutions of fluid flow, heat transfer, mass transfer, etc. One of the challenges of Computational Fluid Dynamics is the extreme hardware demand. Nowadays super-computers (e.g. High Performance Computing, HPC) featuring multiple CPU cores are applied for solving-the simulation domain is split into partitions for each core. Some of the different methods for partitioning are investigated in this paper. As a practical example, a new open source based solver was utilized for simulating packed bed adsorption, a common separation method within the field of thermal process engineering. Adsorption can for example be applied for removal of trace gases from a gas stream or pure gases production like Hydrogen. For comparing the performance of the partitioning methods, a 60 million cell mesh for a packed bed of spherical adsorbents was created; one second of the adsorption process was simulated. Different partitioning methods available in OpenFOAM® (Scotch, Simple, and Hierarchical) have been used with different numbers of sub-domains. The effect of the different methods and number of processor cores on the simulation speedup and also energy consumption were investigated for two different hardware infrastructures (Vienna Scientific Clusters VSC 2 and VSC 3). As a general recommendation an optimum number of cells per processor core was calculated. Optimized simulation speed, lower energy consumption and consequently the cost effects are reported here.

  16. A Public Domain Software Library for Reading and Language Arts.

    Science.gov (United States)

    Balajthy, Ernest

    A three-year project carried out by the Microcomputers and Reading Committee of the New Jersey Reading Association involved the collection, improvement, and distribution of free microcomputer software (public domain programs) designed to deal with reading and writing skills. Acknowledging that this free software is not without limitations (poor…

  17. Simulation and Domain Identification of Sea Ice Thermodynamic System

    Directory of Open Access Journals (Sweden)

    Bing Tan

    2012-01-01

    Full Text Available Based on the measured data and characteristics of sea ice temperature distribution in space and time, this study is intended to consider a parabolic partial differential equation of the thermodynamic field of sea ice (coupled by snow, ice, and sea water layers with a time-dependent domain and its parameter identification problem. An optimal model with state constraints is presented with the thicknesses of snow and sea ice as parametric variables and the deviation between the calculated and measured sea ice temperatures as the performance criterion. The unique existence of the weak solution of the thermodynamic system is proved. The properties of the identification problem and the existence of the optimal parameter are discussed, and the one-order necessary condition is derived. Finally, based on the nonoverlapping domain decomposition method and semi-implicit difference scheme, an optimization algorithm is proposed for the numerical simulation. Results show that the simulated temperature of sea ice fit well with the measured data, and the better fit is corresponding to the deeper sea ice.

  18. Domain-growth kinetics and aspects of pinning: A Monte Carlo simulation study

    DEFF Research Database (Denmark)

    Castán, T.; Lindgård, Per-Anker

    1991-01-01

    By means of Monte Carlo computer simulations we study the domain-growth kinetics after a quench across a first-order line to very low and moderate temperatures in a multidegenerate system with nonconserved order parameter. The model is a continuous spin model relevant for martensitic transformati......By means of Monte Carlo computer simulations we study the domain-growth kinetics after a quench across a first-order line to very low and moderate temperatures in a multidegenerate system with nonconserved order parameter. The model is a continuous spin model relevant for martensitic...... to cross over from n = 1/4 at T approximately 0 to n = 1/2 with temperature for models with pinnings of types (a) and (b). For topological pinnings at T approximately 0, n is consistent with n = 1/8, a value conceivable for several levels of hierarchically interrelated domain-wall movement. When...

  19. Simulations of super-structure domain walls in two dimensional assemblies of magnetic nanoparticles

    DEFF Research Database (Denmark)

    Jordanovic, Jelena; Beleggia, Marco; Schiøtz, Jakob

    2015-01-01

    We simulate the formation of domain walls in two-dimensional assemblies of magnetic nanoparticles. Particle parameters are chosen to match recent electron holography and Lorentz microscopy studies of almost monodisperse cobalt nanoparticles assembled into regular, elongated lattices. As the parti......We simulate the formation of domain walls in two-dimensional assemblies of magnetic nanoparticles. Particle parameters are chosen to match recent electron holography and Lorentz microscopy studies of almost monodisperse cobalt nanoparticles assembled into regular, elongated lattices...... taking the role of the atomic spins. The coupling is, however, different. The superspins interact only by dipolar interactions as exchange coupling between individual nanoparticles may be neglected due to interparticle spacing. We observe that it is energetically favorable to introduce domain walls...... oriented along the long dimension of nanoparticle assemblies rather than along the short dimension. This is unlike what is typically observed in continuous magnetic materials, where the exchange interaction introduces an energetic cost proportional to the area of the domain walls. Structural disorder...

  20. Two-phase flow steam generator simulations on parallel computers using domain decomposition method

    International Nuclear Information System (INIS)

    Belliard, M.

    2003-01-01

    Within the framework of the Domain Decomposition Method (DDM), we present industrial steady state two-phase flow simulations of PWR Steam Generators (SG) using iteration-by-sub-domain methods: standard and Adaptive Dirichlet/Neumann methods (ADN). The averaged mixture balance equations are solved by a Fractional-Step algorithm, jointly with the Crank-Nicholson scheme and the Finite Element Method. The algorithm works with overlapping or non-overlapping sub-domains and with conforming or nonconforming meshing. Computations are run on PC networks or on massively parallel mainframe computers. A CEA code-linker and the PVM package are used (master-slave context). SG mock-up simulations, involving up to 32 sub-domains, highlight the efficiency (speed-up, scalability) and the robustness of the chosen approach. With the DDM, the computational problem size is easily increased to about 1,000,000 cells and the CPU time is significantly reduced. The difficulties related to industrial use are also discussed. (author)

  1. 37 CFR 201.26 - Recordation of documents pertaining to computer shareware and donation of public domain computer...

    Science.gov (United States)

    2010-07-01

    ... pertaining to computer shareware and donation of public domain computer software. 201.26 Section 201.26... GENERAL PROVISIONS § 201.26 Recordation of documents pertaining to computer shareware and donation of public domain computer software. (a) General. This section prescribes the procedures for submission of...

  2. Finite-difference time-domain simulation of thermal noise in open cavities

    International Nuclear Information System (INIS)

    Andreasen, Jonathan; Cao Hui; Taflove, Allen; Kumar, Prem; Cao Changqi

    2008-01-01

    A numerical model based on the finite-difference time-domain (FDTD) method is developed to simulate thermal noise in open cavities owing to output coupling. The absorbing boundary of the FDTD grid is treated as a blackbody, whose thermal radiation penetrates the cavity in the grid. The calculated amount of thermal noise in a one-dimensional dielectric cavity recovers the standard result of the quantum Langevin equation in the Markovian regime. Our FDTD simulation also demonstrates that in the non-Markovian regime the buildup of the intracavity noise field depends on the ratio of the cavity photon lifetime to the coherence time of thermal radiation. The advantage of our numerical method is that the thermal noise is introduced in the time domain without prior knowledge of cavity modes

  3. Computer-Based Simulation Games in Public Administration Education

    Directory of Open Access Journals (Sweden)

    Kutergina Evgeniia

    2017-12-01

    Full Text Available Computer simulation, an active learning technique, is now one of the advanced pedagogical technologies. Th e use of simulation games in the educational process allows students to gain a firsthand understanding of the processes of real life. Public- administration, public-policy and political-science courses increasingly adopt simulation games in universities worldwide. Besides person-to-person simulation games, there are computer-based simulations in public-administration education. Currently in Russia the use of computer-based simulation games in Master of Public Administration (MPA curricula is quite limited. Th is paper focuses on computer- based simulation games for students of MPA programmes. Our aim was to analyze outcomes of implementing such games in MPA curricula. We have done so by (1 developing three computer-based simulation games about allocating public finances, (2 testing the games in the learning process, and (3 conducting a posttest examination to evaluate the effect of simulation games on students’ knowledge of municipal finances. Th is study was conducted in the National Research University Higher School of Economics (HSE and in the Russian Presidential Academy of National Economy and Public Administration (RANEPA during the period of September to December 2015, in Saint Petersburg, Russia. Two groups of students were randomly selected in each university and then randomly allocated either to the experimental or the control group. In control groups (n=12 in HSE, n=13 in RANEPA students had traditional lectures. In experimental groups (n=12 in HSE, n=13 in RANEPA students played three simulation games apart from traditional lectures. Th is exploratory research shows that the use of computer-based simulation games in MPA curricula can improve students’ outcomes by 38 %. In general, the experimental groups had better performances on the post-test examination (Figure 2. Students in the HSE experimental group had 27.5 % better

  4. Frequency-domain interferometer simulation with higher-order spatial modes

    International Nuclear Information System (INIS)

    Freise, A; Heinzel, G; Lueck, H; Schilling, R; Willke, B; Danzmann, K

    2004-01-01

    FINESSE is a software simulation allowing one to compute the optical properties of laser interferometers used by interferometric gravitational-wave detectors today. This fast and versatile tool has already proven to be useful in the design and commissioning of gravitational-wave detectors. The basic algorithm of FINESSE numerically computes the light amplitudes inside an interferometer using Hermite-Gauss modes in the frequency domain. In addition, FINESSE provides a number of commands for easily generating and plotting the most common signals including power enhancement, error and control signals, transfer functions and shot-noise-limited sensitivities. Among the various simulation tools available to the gravitational wave community today, FINESSE provides an advanced and versatile optical simulation based on a general analysis of user-defined optical setups and is quick to install and easy to use

  5. Time-domain simulation and waveform reconstruction for shielding effectiveness of materials against electromagnetic pulse

    International Nuclear Information System (INIS)

    Hu, Xiao-feng; Chen, Xiang; Wei, Ming

    2013-01-01

    Shielding effectiveness (SE) of materials of current testing standards is often carried out by using continuous-wave measurement and amplitude-frequency characteristics curve is used to characterize the results. However, with in-depth study of high-power electromagnetic pulse (EMP) interference, it was discovered that only by frequency-domain SE of materials cannot be completely characterized by shielding performance of time-domain pulsed-field. And there is no uniform testing methods and standards of SE of materials against EMP. In this paper, the method of minimum phase transfer function is used to reconstruct shielded time-domain waveform based on the analysis of the waveform reconstruction method. Pulse of plane waves through an infinite planar material is simulated by using CST simulation software. The reconstructed waveform and simulation waveform is compared. The results show that the waveform reconstruction method based on the minimum phase can be well estimated EMP waveform through the infinite planar materials.

  6. An investigation into multi-domain simulation for a pantographcatenary system

    Directory of Open Access Journals (Sweden)

    Zdziebko Paweł

    2017-01-01

    Full Text Available There is a need for modelling various phenomena present in a pantograph-catenary structure, (e.g. wave propagation and its reflections, friction, aerodynamic and electromagnetic forces, which allows for a more reliable study on the dynamic behaviours of a railway pantograph, particularly in the case of high-speed trains. Hence, the creation a complex pantograph-catenary multi-domain model should help to effectively meet the above-mentioned requirements. The work presents a co-simulation approach to investigate the pantograph-catenary dynamic interaction. The elaborated co-simulation algorithm assumes data exchange between multibody models of a pantograph and finite element model of a catenary. The presented approach explores multi-domain phenomena that have an influence on the pantograph-catenary interaction. The nonlinear finite element catenary model takes into account the slackening of droppers, relatively large displacements and contact with the pantograph’s slider, while the multibody model of the pantograph considers friction forces and suspension springs. Additionally, aerodynamic forces caused by wind acting on the pantograph were computed using the fluid structure interaction method and implemented in the dynamic simulation. The influence on the pantograph-catenary interaction caused by electromagnetic force acting on the pantograph was investigated, along with the influence of the locomotive’s vertical vibrations and tilt.

  7. Accumulation of Domain-Specific Physical Inactivity and Presence of Hypertension in Brazilian Public Healthcare System.

    Science.gov (United States)

    Turi, Bruna Camilo; Codogno, Jamile S; Fernandes, Romulo A; Sui, Xuemei; Lavie, Carl J; Blair, Steven N; Monteiro, Henrique Luiz

    2015-11-01

    Hypertension is one of the most common noncommunicable diseases worldwide, and physical inactivity is a risk factor predisposing to its occurrence and complications. However, it is still unclear the association between physical inactivity domains and hypertension, especially in public healthcare systems. Thus, this study aimed to investigate the association between physical inactivity aggregation in different domains and prevalence of hypertension among users of Brazilian public health system. 963 participants composed the sample. Subjects were divided into quartiles groups according to 3 different domains of physical activity (occupational; physical exercises; and leisure-time and transportation). Hypertension was based on physician diagnosis. Physical inactivity in occupational domain was significantly associated with higher prevalence of hypertension (OR = 1.52 [1.05 to 2.21]). The same pattern occurred for physical inactivity in leisure-time (OR = 1.63 [1.11 to 2.39]) and aggregation of physical inactivity in 3 domains (OR = 2.46 [1.14 to 5.32]). However, the multivariate-adjusted model showed significant association between hypertension and physical inactivity in 3 domains (OR = 2.57 [1.14 to 5.79]). The results suggest an unequal prevalence of hypertension according to physical inactivity across different domains and increasing the promotion of physical activity in the healthcare system is needed.

  8. Molecular dynamics simulations from putative transition states of alpha-spectrin SH3 domain

    NARCIS (Netherlands)

    Periole, Xavier; Vendruscolo, Michele; Mark, Alan E.

    2007-01-01

    A series of molecular dynamics simulations in explicit solvent were started from nine structural models of the transition state of the SH3 domain of alpha-spectrin, which were generated by Lindorff Larsen et al. (Nat Struct Mol Biol 2004;11:443-449) using molecular dynamics simulations in which

  9. Language Choice and Use of Malaysian Public University Lecturers in the Education Domain

    Directory of Open Access Journals (Sweden)

    Tam Lee Mei

    2016-02-01

    Full Text Available It is a norm for people from a multilingual and multicultural country such as Malaysia to speak at least two or more languages. Thus, the Malaysian multilingual situation resulted in speakers having to make decisions about which languages are to be used for different purposes in different domains. In order to explain the phenomenon of language choice, Fishman domain analysis (1964 was adapted into this research. According to Fishman’s domain analysis, language choice and use may depend on the speaker’s experiences situated in different settings, different language repertoires that are available to the speaker, different interlocutors and different topics. Such situations inevitably cause barriers and difficulties to those professionals who work in the education domain. Therefore, the purpose of this research is to explore the language choice and use of Malaysian public university lecturers in the education domain and to investigate whether any significant differences exist between ethnicity and field of study with the English language choice and use of the lecturers. 200 survey questionnaires were distributed to examine the details of the lecturers’ language choice and use. The findings of this research reveal that all of the respondents generally preferred to choose and use English language in both formal and informal education domain. Besides, all of the respondents claimed that they chose and used more than one language. It is also found that ethnicity and field of study of the respondents influence the language choice and use in the education domain. In addition, this research suggested that the language and educational policy makers have been largely successful in raising the role and status of the English language as the medium of instruction in tertiary education while maintaining the Malay language as having an important role in the communicative acts, thus characterizing the lecturers’ language choice and use. Keywords: Language

  10. Time-domain hybrid method for simulating large amplitude motions of ships advancing in waves

    Directory of Open Access Journals (Sweden)

    Shukui Liu

    2011-03-01

    Full Text Available Typical results obtained by a newly developed, nonlinear time domain hybrid method for simulating large amplitude motions of ships advancing with constant forward speed in waves are presented. The method is hybrid in the way of combining a time-domain transient Green function method and a Rankine source method. The present approach employs a simple double integration algorithm with respect to time to simulate the free-surface boundary condition. During the simulation, the diffraction and radiation forces are computed by pressure integration over the mean wetted surface, whereas the incident wave and hydrostatic restoring forces/moments are calculated on the instantaneously wetted surface of the hull. Typical numerical results of application of the method to the seakeeping performance of a standard containership, namely the ITTC S175, are herein presented. Comparisons have been made between the results from the present method, the frequency domain 3D panel method (NEWDRIFT of NTUA-SDL and available experimental data and good agreement has been observed for all studied cases between the results of the present method and comparable other data.

  11. A domain-decomposed multi-model plasma simulation of collisionless magnetic reconnection

    Science.gov (United States)

    Datta, I. A. M.; Shumlak, U.; Ho, A.; Miller, S. T.

    2017-10-01

    Collisionless magnetic reconnection is a process relevant to many areas of plasma physics in which energy stored in magnetic fields within highly conductive plasmas is rapidly converted into kinetic and thermal energy. Both in natural phenomena such as solar flares and terrestrial aurora as well as in magnetic confinement fusion experiments, the reconnection process is observed on timescales much shorter than those predicted by a resistive MHD model. As a result, this topic is an active area of research in which plasma models with varying fidelity have been tested in order to understand the proper physics explaining the reconnection process. In this research, a hybrid multi-model simulation employing the Hall-MHD and two-fluid plasma models on a decomposed domain is used to study this problem. The simulation is set up using the WARPXM code developed at the University of Washington, which uses a discontinuous Galerkin Runge-Kutta finite element algorithm and implements boundary conditions between models in the domain to couple their variable sets. The goal of the current work is to determine the parameter regimes most appropriate for each model to maintain sufficient physical fidelity over the whole domain while minimizing computational expense. This work is supported by a Grant from US AFOSR.

  12. Changement climatique et domaines skiables: simulation en Savoie et Haute-Savoie à l’horizon 2015

    Directory of Open Access Journals (Sweden)

    Jean-Christophe Loubier

    2007-03-01

    Full Text Available Les domaines skiables et le changement climatique posent des questions importantes et nouvelles pour les espaces montagnards. Dans les hautes vallées où ces domaines sont souvent le moteur principal du développement local, on peut s'interroger sur la pérennité du modèle économique de l'or blanc à moyen terme quand les modèles de simulation du climat tablent sur une élévation de la température moyenne comprise entre 1,5° et 5° en 2100. Nous avons tenté de simuler les effets du changement climatique à l'horizon 2015, sur les domaines skiables de Savoie et Haute Savoie.

  13. Monte Carlo simulation for thermal assisted reversal process of micro-magnetic torus ring with bistable closure domain structure

    Energy Technology Data Exchange (ETDEWEB)

    Terashima, Kenichi; Suzuki, Kenji; Yamaguchi, Katsuhiko, E-mail: yama@sss.fukushima-u.ac.jp

    2016-04-01

    Monte Carlo simulations were performed for temperature dependences of closure domain parameter for a magnetic micro-torus ring cluster under magnetic field on limited temperature regions. Simulation results show that magnetic field on tiny limited temperature region can reverse magnetic closure domain structures when the magnetic field is applied at a threshold temperature corresponding to intensity of applied magnetic field. This is one of thermally assisted switching phenomena through a self-organization process. The results show the way to find non-wasteful pairs between intensity of magnetic field and temperature region for reversing closure domain structure by temperature dependence of the fluctuation of closure domain parameter. Monte Carlo method for this simulation is very valuable to optimize the design of thermally assisted switching devices.

  14. analysis of large electromagnetic pulse simulators using the electric field integral equation method in time domain

    International Nuclear Information System (INIS)

    Jamali, J.; Aghajafari, R.; Moini, R.; Sadeghi, H.

    2002-01-01

    A time-domain approach is presented to calculate electromagnetic fields inside a large Electromagnetic Pulse (EMP) simulator. This type of EMP simulator is used for studying the effect of electromagnetic pulses on electrical apparatus in various structures such as vehicles, a reoplanes, etc. The simulator consists of three planar transmission lines. To solve the problem, we first model the metallic structure of the simulator as a grid of conducting wires. The numerical solution of the governing electric field integral equation is then obtained using the method of moments in time domain. To demonstrate the accuracy of the model, we consider a typical EMP simulator. The comparison of our results with those obtained experimentally in the literature validates the model introduced in this paper

  15. Blockchain-based Public Key Infrastructure for Inter-Domain Secure Routing

    OpenAIRE

    de la Rocha Gómez-Arevalillo , Alfonso; Papadimitratos , Panos

    2017-01-01

    International audience; A gamut of secure inter-domain routing protocols has been proposed in the literature. They use traditional PGP-like and centralized Public Key Infrastructures for trust management. In this paper, we propose our alternative approach for managing security associations, Secure Blockchain Trust Management (SBTM), a trust management system that instantiates a blockchain-based PKI for the operation of securerouting protocols. A main motivation for SBTM is to facilitate gradu...

  16. Remotely Piloted Aircraft and War in the Public Relations Domain

    Science.gov (United States)

    2014-10-01

    the terms as they appear in quoted texts. 2. Peter Kreeft, Socratic Logic: A Logic Text Using Socratic Method , Platonic Questions, and Aristotelian...Ronald Brooks.22 This method of refuting an argu- ment reflects option C (above), demonstrating that the conclusion does not follow from the premises...and War in the Public Relations Domain Feature tional Security Assistance Force (ISAF) met to discuss methods of elim- inating civilian casualties in

  17. The use of typed lambda calculus for comprehension and construction of simulation models in the domain of ecology

    Science.gov (United States)

    Uschold, Michael

    1992-01-01

    We are concerned with two important issues in simulation modelling: model comprehension and model construction. Model comprehension is limited because many important choices taken during the modelling process are not documented. This makes it difficult for models to be modified or used by others. A key factor hindering model construction is the vast modelling search space which must be navigated. This is exacerbated by the fact that many modellers are unfamiliar with the terms and concepts catered to by current tools. The root of both problems is the lack of facilities for representing or reasoning about domain concepts in current simulation technology. The basis for our achievements in both of these areas is the development of a language with two distinct levels; one for representing domain information, and the other for representing the simulation model. Of equal importance, is the fact that we make formal connections between these two levels. The domain we are concerned with is ecological modelling. This language, called Elklogic, is based on the typed lambda calculus. Important features include a rich type structure, the use of various higher order functions, and semantics. This enables complex expressions to be constructed from relatively few primitives. The meaning of each expression can be determined in terms of the domain, the simulation model, or the relationship between the two. We describe a novel representation for sets and substructure, and a variety of other general concepts that are especially useful in the ecological domain. We use the type structure in a novel way: for controlling the modelling search space, rather than a proof search space. We facilitate model comprehension by representing modelling decisions that are embodied in the simulation model. We represent the simulation model separately from, but in terms of a domain mode. The explicit links between the two models constitute the modelling decisions. The semantics of Elklogic enables

  18. Molecular dynamics simulations of ferroelectric domain formation by oxygen vacancy

    Science.gov (United States)

    Zhu, Lin; You, Jeong Ho; Chen, Jinghong; Yeo, Changdong

    2018-05-01

    An oxygen vacancy, known to be detrimental to ferroelectric properties, has been investigated numerically for the potential uses to control ferroelectric domains in films using molecular dynamics simulations based on the first-principles effective Hamiltonian. As an electron donor, an oxygen vacancy generates inhomogeneous electrostatic and displacement fields which impose preferred polarization directions near the oxygen vacancy. When the oxygen vacancies are placed at the top and bottom interfaces, the out-of-plane polarizations are locally developed near the interfaces in the directions away from the interfaces. These polarizations from the interfaces are in opposite directions so that the overall out-of-plane polarization becomes significantly reduced. In the middle of the films, the in-plane domains are formed with containing 90° a 1/a 2 domain walls and the films are polarized along the [1 1 0] direction even when no electric field is applied. With oxygen vacancies placed at the top interface only, the films exhibit asymmetric hysteresis loops, confirming that the oxygen vacancies are one of the possible sources of ferroelectric imprint. It has been qualitatively demonstrated that the domain structures in the imprint films can be turned on and off by controlling an external field along the thickness direction. This study shows qualitatively that the oxygen vacancies can be utilized for tuning ferroelectric domain structures in films.

  19. High-speed extended-term time-domain simulation for online cascading analysis of power system

    Science.gov (United States)

    Fu, Chuan

    A high-speed extended-term (HSET) time domain simulator (TDS), intended to become a part of an energy management system (EMS), has been newly developed for use in online extended-term dynamic cascading analysis of power systems. HSET-TDS includes the following attributes for providing situational awareness of high-consequence events: (i) online analysis, including n-1 and n-k events, (ii) ability to simulate both fast and slow dynamics for 1-3 hours in advance, (iii) inclusion of rigorous protection-system modeling, (iv) intelligence for corrective action ID, storage, and fast retrieval, and (v) high-speed execution. Very fast on-line computational capability is the most desired attribute of this simulator. Based on the process of solving algebraic differential equations describing the dynamics of power system, HSET-TDS seeks to develop computational efficiency at each of the following hierarchical levels, (i) hardware, (ii) strategies, (iii) integration methods, (iv) nonlinear solvers, and (v) linear solver libraries. This thesis first describes the Hammer-Hollingsworth 4 (HH4) implicit integration method. Like the trapezoidal rule, HH4 is symmetrically A-Stable but it possesses greater high-order precision (h4 ) than the trapezoidal rule. Such precision enables larger integration steps and therefore improves simulation efficiency for variable step size implementations. This thesis provides the underlying theory on which we advocate use of HH4 over other numerical integration methods for power system time-domain simulation. Second, motivated by the need to perform high speed extended-term time domain simulation (HSET-TDS) for on-line purposes, this thesis presents principles for designing numerical solvers of differential algebraic systems associated with power system time-domain simulation, including DAE construction strategies (Direct Solution Method), integration methods(HH4), nonlinear solvers(Very Dishonest Newton), and linear solvers(SuperLU). We have

  20. Stochastic simulation of large grids using free and public domain software

    NARCIS (Netherlands)

    Bruin, de S.; Wit, de A.J.W.

    2005-01-01

    This paper proposes a tiled map procedure enabling sequential indicator simulation on grids consisting of several tens of millions of cells, without putting excessive memory requirements. Spatial continuity across map tiles is handled by conditioning adjacent tiles on their shared boundaries. Tiles

  1. Domain decomposition for the computation of radiosity in lighting simulation; Decomposition de domaines pour le calcul de la radiosite en simulation d'eclairage

    Energy Technology Data Exchange (ETDEWEB)

    Salque, B

    1998-07-01

    This work deals with the equation of radiosity, this equation describes the transport of light energy through a diffuse medium, its resolution enables us to simulate the presence of light sources. The equation of radiosity is an integral equation who admits a unique solution in realistic cases. The different methods of solving are reviewed. The equation of radiosity can not be formulated as the integral form of a classical partial differential equation, but this work shows that the technique of domain decomposition can be successfully applied to the equation of radiosity if this approach is framed by considerations of physics. This method provides a system of independent equations valid for each sub-domain and whose main parameter is luminance. Some numerical examples give an idea of the convergence of the algorithm. This method is applied to the optimization of the shape of a light reflector.

  2. Model-free methods of analyzing domain motions in proteins from simulation : A comparison of normal mode analysis and molecular dynamics simulation of lysozyme

    NARCIS (Netherlands)

    Hayward, S.; Kitao, A.; Berendsen, H.J.C.

    Model-free methods are introduced to determine quantities pertaining to protein domain motions from normal mode analyses and molecular dynamics simulations, For the normal mode analysis, the methods are based on the assumption that in low frequency modes, domain motions can be well approximated by

  3. Suburban development – a search for public domains in Danish suburban neighbourhoods

    DEFF Research Database (Denmark)

    Melgaard, Bente; Bech-Danielsen, Claus

    These years some of the post-war Danish suburbs are facing great challenges – social segregation, demographic changes and challenges in building technology. In particular, segregation prevents social life from unfolding across social, economic and cultural borders. Therefore, in this paper......, potentials for bridge-building across the enclaves of the suburb are looked for through a combined architectural-anthropological mapping of public spaces in a specific suburb in Denmark, the analyses being carried out in the light of Hajer & Reijndorp’s definition of public domains and the term exchange...

  4. The Value of Privacy and Surveillance Drones in the Public Domain : Scrutinizing the Dutch Flexible Deployment of Mobile Cameras Act

    NARCIS (Netherlands)

    Gerdo Kuiper; Quirine Eijkman

    2017-01-01

    The flexible deployment of drones in the public domain, is in this article assessed from a legal philosophical perspective. On the basis of theories of Dworkin and Moore the distinction between individual rights and collective security policy goals is discussed. Mobile cameras in the public domain

  5. The International River Interface Cooperative: Public Domain Software for River Flow and Morphodynamics (Invited)

    Science.gov (United States)

    Nelson, J. M.; Shimizu, Y.; McDonald, R.; Takebayashi, H.

    2009-12-01

    The International River Interface Cooperative is an informal organization made up of academic faculty and government scientists with the goal of developing, distributing and providing education for a public-domain software interface for modeling river flow and morphodynamics. Formed in late 2007, the group released the first version of this interface (iRIC) in late 2009. iRIC includes models for two and three-dimensional flow, sediment transport, bed evolution, groundwater-surface water interaction, topographic data processing, and habitat assessment, as well as comprehensive data and model output visualization, mapping, and editing tools. All the tools in iRIC are specifically designed for use in river reaches and utilize common river data sets. The models are couched within a single graphical user interface so that a broad spectrum of models are available to users without learning new pre- and post-processing tools. The first version of iRIC was developed by combining the USGS public-domain Multi-Dimensional Surface Water Modeling System (MD_SWMS), developed at the USGS Geomorphology and Sediment Transport Laboratory in Golden, Colorado, with the public-domain river modeling code NAYS developed by the Universities of Hokkaido and Kyoto, Mizuho Corporation, and the Foundation of the River Disaster Prevention Research Institute in Sapporo, Japan. Since this initial effort, other Universities and Agencies have joined the group, and the interface has been expanded to allow users to integrate their own modeling code using Executable Markup Language (XML), which provides easy access and expandability to the iRIC software interface. In this presentation, the current components of iRIC are described and results from several practical modeling applications are presented to illustrate the capabilities and flexibility of the software. In addition, some future extensions to iRIC are demonstrated, including software for Lagrangian particle tracking and the prediction of

  6. Development and application of dispersive soft ferrite models for time-domain simulation

    International Nuclear Information System (INIS)

    DeFord, J.F.; Kamin, G.; Craig, G.D.; Walling, L.

    1992-01-01

    Ferrite has a variety of applications in accelerator components, and the capability to model this magnetic material in the time domain is an important adjunct to currently available accelerator modeling tool. We describe in this report a material model we have developed for the magnetic characteristics of PE11BL, the ferrite found in the ETA-II (Experimental Test Accelerator-II) induction module. This model, which includes the important magnetic dispersion effects found in most soft ferrites, has been implemented in 1-D and 2-D finite-difference time-domain (FDTD) electromagnetic simulators, and comparisons with analytic and experimental results are presented

  7. Time domain simulations of preliminary breakdown pulses in natural lightning.

    Science.gov (United States)

    Carlson, B E; Liang, C; Bitzer, P; Christian, H

    2015-06-16

    Lightning discharge is a complicated process with relevant physical scales spanning many orders of magnitude. In an effort to understand the electrodynamics of lightning and connect physical properties of the channel to observed behavior, we construct a simulation of charge and current flow on a narrow conducting channel embedded in three-dimensional space with the time domain electric field integral equation, the method of moments, and the thin-wire approximation. The method includes approximate treatment of resistance evolution due to lightning channel heating and the corona sheath of charge surrounding the lightning channel. Focusing our attention on preliminary breakdown in natural lightning by simulating stepwise channel extension with a simplified geometry, our simulation reproduces the broad features observed in data collected with the Huntsville Alabama Marx Meter Array. Some deviations in pulse shape details are evident, suggesting future work focusing on the detailed properties of the stepping mechanism. Preliminary breakdown pulses can be reproduced by simulated channel extension Channel heating and corona sheath formation are crucial to proper pulse shape Extension processes and channel orientation significantly affect observations.

  8. Domains of State-Owned, Privately Held, and Publicly Traded Firms in International Competition.

    Science.gov (United States)

    Mascarenhas, Briance

    1989-01-01

    Hypotheses relating ownership to domain differences among state-owned, publicly traded, and privately held firms in international competition were examined in a controlled field study of the offshore drilling industry. Ownership explained selected differences in domestic market dominance, international presence, and customer orientation, even…

  9. Public-domain software for root image analysis

    Directory of Open Access Journals (Sweden)

    Mirian Cristina Gomes Costa

    2014-10-01

    Full Text Available In the search for high efficiency in root studies, computational systems have been developed to analyze digital images. ImageJ and Safira are public-domain systems that may be used for image analysis of washed roots. However, differences in root properties measured using ImageJ and Safira are supposed. This study compared values of root length and surface area obtained with public-domain systems with values obtained by a reference method. Root samples were collected in a banana plantation in an area of a shallower Typic Carbonatic Haplic Cambisol (CXk, and an area of a deeper Typic Haplic Ta Eutrophic Cambisol (CXve, at six depths in five replications. Root images were digitized and the systems ImageJ and Safira used to determine root length and surface area. The line-intersect method modified by Tennant was used as reference; values of root length and surface area measured with the different systems were analyzed by Pearson's correlation coefficient and compared by the confidence interval and t-test. Both systems ImageJ and Safira had positive correlation coefficients with the reference method for root length and surface area data in CXk and CXve. The correlation coefficient ranged from 0.54 to 0.80, with lowest value observed for ImageJ in the measurement of surface area of roots sampled in CXve. The IC (95 % revealed that root length measurements with Safira did not differ from that with the reference method in CXk (-77.3 to 244.0 mm. Regarding surface area measurements, Safira did not differ from the reference method for samples collected in CXk (-530.6 to 565.8 mm² as well as in CXve (-4231 to 612.1 mm². However, measurements with ImageJ were different from those obtained by the reference method, underestimating length and surface area in samples collected in CXk and CXve. Both ImageJ and Safira allow an identification of increases or decreases in root length and surface area. However, Safira results for root length and surface area are

  10. Waterborne Disease Case Investigation: Public Health Nursing Simulation.

    Science.gov (United States)

    Alexander, Gina K; Canclini, Sharon B; Fripp, Jon; Fripp, William

    2017-01-01

    The lack of safe drinking water is a significant public health threat worldwide. Registered nurses assess the physical environment, including the quality of the water supply, and apply environmental health knowledge to reduce environmental exposures. The purpose of this research brief is to describe a waterborne disease simulation for students enrolled in a public health nursing (PHN) course. A total of 157 undergraduate students completed the simulation in teams, using the SBAR (Situation-Background-Assessment-Recommendation) reporting tool. Simulation evaluation consisted of content analysis of the SBAR tools and debriefing notes. Student teams completed the simulation and articulated the implications for PHN practice. Student teams discussed assessment findings and primarily recommended four nursing interventions: health teaching focused on water, sanitation, and hygiene; community organizing; collaboration; and advocacy to ensure a safe water supply. With advanced planning and collaboration with partners, waterborne disease simulation may enhance PHN education. [J Nurs Educ. 2017;56(1):39-42.]. Copyright 2017, SLACK Incorporated.

  11. DATABASES AND THE SUI-GENERIS RIGHT – PROTECTION OUTSIDE THE ORIGINALITY. THE DISREGARD OF THE PUBLIC DOMAIN

    Directory of Open Access Journals (Sweden)

    Monica LUPAȘCU

    2018-05-01

    Full Text Available This study focuses on databases as they are regulated by Directive no.96/9/EC regarding the protection of databases. There are also several references to Romanian Law no.8/1996 on copyright and neighbouring rights which implements the mentioned European Directive. The study analyses certain effects that the sui-generis protection has on public domain. The study tries to demonstrate that the reglementation specific to databases neglects the interests correlated with the public domain. The effect of such a regulation is the abusive creation of some databases in which the public domain (meaning information not protected by copyright such as news, ideas, procedures, methods, systems, processes, concepts, principles, discoveries ends up being encapsulated and made available only to some private interests, the access to public domain being regulated indirectly. The study begins by explaining the sui- generis right and its origin. The first mention of databases can be found in “Green Paper on Copyright (1998,” a document that clearly shows, the database protection was thought to cover a sphere of information non-protectable from the scientific and industrial fields. Several arguments are made by the author, most of them based on the report of the Public Consultation sustained in 2014 in regards to the necessity of the sui-generis right. There are some references made to a specific case law, namely British Houseracing Board vs William Hill and Fixture Marketing Ldt. The ECJ’s decision în that case is of great importance for the support of public interest to access information corresponding to some restrictive fields that are derived as a result of the maker’s activities, because in the absence of the sui-generis right, all this information can be freely accessed and used.

  12. Simulation of two-phase flows by domain decomposition

    International Nuclear Information System (INIS)

    Dao, T.H.

    2013-01-01

    This thesis deals with numerical simulations of compressible fluid flows by implicit finite volume methods. Firstly, we studied and implemented an implicit version of the Roe scheme for compressible single-phase and two-phase flows. Thanks to Newton method for solving nonlinear systems, our schemes are conservative. Unfortunately, the resolution of nonlinear systems is very expensive. It is therefore essential to use an efficient algorithm to solve these systems. For large size matrices, we often use iterative methods whose convergence depends on the spectrum. We have studied the spectrum of the linear system and proposed a strategy, called Scaling, to improve the condition number of the matrix. Combined with the classical ILU pre-conditioner, our strategy has reduced significantly the GMRES iterations for local systems and the computation time. We also show some satisfactory results for low Mach-number flows using the implicit centered scheme. We then studied and implemented a domain decomposition method for compressible fluid flows. We have proposed a new interface variable which makes the Schur complement method easy to build and allows us to treat diffusion terms. Using GMRES iterative solver rather than Richardson for the interface system also provides a better performance compared to other methods. We can also decompose the computational domain into any number of sub-domains. Moreover, the Scaling strategy for the interface system has improved the condition number of the matrix and reduced the number of GMRES iterations. In comparison with the classical distributed computing, we have shown that our method is more robust and efficient. (author) [fr

  13. Examining publication bias—a simulation-based evaluation of statistical tests on publication bias

    Directory of Open Access Journals (Sweden)

    Andreas Schneck

    2017-11-01

    Full Text Available Background Publication bias is a form of scientific misconduct. It threatens the validity of research results and the credibility of science. Although several tests on publication bias exist, no in-depth evaluations are available that examine which test performs best for different research settings. Methods Four tests on publication bias, Egger’s test (FAT, p-uniform, the test of excess significance (TES, as well as the caliper test, were evaluated in a Monte Carlo simulation. Two different types of publication bias and its degree (0%, 50%, 100% were simulated. The type of publication bias was defined either as file-drawer, meaning the repeated analysis of new datasets, or p-hacking, meaning the inclusion of covariates in order to obtain a significant result. In addition, the underlying effect (β = 0, 0.5, 1, 1.5, effect heterogeneity, the number of observations in the simulated primary studies (N = 100, 500, and the number of observations for the publication bias tests (K = 100, 1,000 were varied. Results All tests evaluated were able to identify publication bias both in the file-drawer and p-hacking condition. The false positive rates were, with the exception of the 15%- and 20%-caliper test, unbiased. The FAT had the largest statistical power in the file-drawer conditions, whereas under p-hacking the TES was, except under effect heterogeneity, slightly better. The CTs were, however, inferior to the other tests under effect homogeneity and had a decent statistical power only in conditions with 1,000 primary studies. Discussion The FAT is recommended as a test for publication bias in standard meta-analyses with no or only small effect heterogeneity. If two-sided publication bias is suspected as well as under p-hacking the TES is the first alternative to the FAT. The 5%-caliper test is recommended under conditions of effect heterogeneity and a large number of primary studies, which may be found if publication bias is examined in a

  14. Application of plurigaussian simulation to delineate the layout of alteration domains in Sungun copper deposit

    Science.gov (United States)

    Talebi, Hassan; Asghari, Omid; Emery, Xavier

    2013-12-01

    An accurate estimation of mineral grades in ore deposits with heterogeneous spatial variations requires defining geological domains that differentiate the types of mineralogy, alteration and lithology. Deterministic models define the layout of the domains based on the interpretation of the drill holes and do not take into account the uncertainty in areas with fewer data. Plurigaussian simulation (PGS) can be an alternative to generate multiple numerical models of the ore body, with the aim of assessing the uncertainty in the domain boundaries and improving the geological controls in the characterization of quantitative attributes. This study addresses the application of PGS to Sungun porphyry copper deposit (Iran), in order to simulate the layout of four hypogene alteration zones: potassic, phyllic, propylitic and argillic. The aim of this study is to construct numerical models in which the alteration structures reflect the evolution observed in the geology.

  15. Molecular Dynamics Simulations of the STAS Domains of Rat Prestin and Human Pendrin Reveal Conformational Motions in Conserved Flexible Regions

    Directory of Open Access Journals (Sweden)

    Alok K. Sharma

    2014-02-01

    Full Text Available Background: Molecular dynamics (MD simulations provide valuable information on the conformational changes that accompany time-dependent motions in proteins. The reported crystal structure of rat prestin (PDB 3LLO is remarkable for an α1-α2 inter-helical angle that differs substantially from those observed in bacterial STAS domains of SulP anion transporters and anti-sigma factor antagonists. However, NMR data on the rat prestin STAS domain in solution suggests dynamic features at or near the α1-α2 helical region (Pasqualetto et al JMB, 2010. We therefore performed a 100 ns 300K MD simulation study comparing the STAS domains of rat prestin and (modeled human pendrin, to explore possible conformational flexibility in the region of the α1 and α2 helices. Methods: The conformation of the loop missing in the crystal structure of rat prestin STAS (11 amino acids between helix α1 and strand β3 was built using Modeller. MD simulations were performed with GROMACSv4.6 using GROMOS96 53a6 all-atom force field. Results: A subset of secondary structured elements of the STAS domains exhibits significant conformational changes during the simulation time course. The conformationally perturbed segments include the majority of loop regions, as well as the α1 and α2 helices. A significant decrease in the α1-α2 inter-helical angle observed across the simulation trajectory leads to closer helical packing at their C-termini. The end-simulation conformations of the prestin and pendrin STAS domains, including their decreased α1-α2 inter-helical angles, resemble more closely the packing of corresponding helices in the STAS structures of bacterial SulP transporters Rv1739c and ychM, as well as those of the anti-sigma factor antagonists. Several structural segments of the modeled human pendrin STAS domain exhibit larger atomic motions and greater conformational deviations than the corresponding regions of rat prestin, predicting that the human pendrin STAS

  16. Lagrangian Particle Tracking Simulation for Warm-Rain Processes in Quasi-One-Dimensional Domain

    Science.gov (United States)

    Kunishima, Y.; Onishi, R.

    2017-12-01

    Conventional cloud simulations are based on the Euler method and compute each microphysics process in a stochastic way assuming infinite numbers of particles within each numerical grid. They therefore cannot provide the Lagrangian statistics of individual particles in cloud microphysics (i.e., aerosol particles, cloud particles, and rain drops) nor discuss the statistical fluctuations due to finite number of particles. We here simulate the entire precipitation process of warm-rain, with tracking individual particles. We use the Lagrangian Cloud Simulator (LCS), which is based on the Euler-Lagrangian framework. In that framework, flow motion and scalar transportation are computed with the Euler method, and particle motion with the Lagrangian one. The LCS tracks particle motions and collision events individually with considering the hydrodynamic interaction between approaching particles with a superposition method, that is, it can directly represent the collisional growth of cloud particles. It is essential for trustworthy collision detection to take account of the hydrodynamic interaction. In this study, we newly developed a stochastic model based on the Twomey cloud condensation nuclei (CCN) activation for the Lagrangian tracking simulation and integrated it into the LCS. Coupling with the Euler computation for water vapour and temperature fields, the initiation and condensational growth of water droplets were computed in the Lagrangian way. We applied the integrated LCS for a kinematic simulation of warm-rain processes in a vertically-elongated domain of, at largest, 0.03×0.03×3000 (m3) with horizontal periodicity. Aerosol particles with a realistic number density, 5×107 (m3), were evenly distributed over the domain at the initial state. Prescribed updraft at the early stage initiated development of a precipitating cloud. We have confirmed that the obtained bulk statistics fairly agree with those from a conventional spectral-bin scheme for a vertical column

  17. Investigation of Alien Wavelength Quality in Live Multi-Domain, Multi-Vendor Link Using Advanced Simulation Tool

    DEFF Research Database (Denmark)

    Petersen, Martin Nordal; Nuijts, Roeland; Bjorn, Lars Lange

    2014-01-01

    This article presents an advanced optical model for simulation of alien wavelengths in multi-domain and multi-vendor dense wavelength-division multiplexing networks. The model aids optical network planners with a better understanding of the non-linear effects present in dense wavelength-division ......This article presents an advanced optical model for simulation of alien wavelengths in multi-domain and multi-vendor dense wavelength-division multiplexing networks. The model aids optical network planners with a better understanding of the non-linear effects present in dense wavelength......-division multiplexing systems and better utilization of alien wavelengths in future applications. The limiting physical effects for alien wavelengths are investigated in relation to power levels, channel spacing, and other factors. The simulation results are verified through experimental setup in live multi...

  18. Optimal identification of semi-rigid domains in macromolecules from molecular dynamics simulation.

    Directory of Open Access Journals (Sweden)

    Stefan Bernhard

    Full Text Available Biological function relies on the fact that biomolecules can switch between different conformations and aggregation states. Such transitions involve a rearrangement of parts of the biomolecules involved that act as dynamic domains. The reliable identification of such domains is thus a key problem in biophysics. In this work we present a method to identify semi-rigid domains based on dynamical data that can be obtained from molecular dynamics simulations or experiments. To this end the average inter-atomic distance-deviations are computed. The resulting matrix is then clustered by a constrained quadratic optimization problem. The reliability and performance of the method are demonstrated for two artificial peptides. Furthermore we correlate the mechanical properties with biological malfunction in three variants of amyloidogenic transthyretin protein, where the method reveals that a pathological mutation destabilizes the natural dimer structure of the protein. Finally the method is used to identify functional domains of the GroEL-GroES chaperone, thus illustrating the efficiency of the method for large biomolecular machines.

  19. The complexity of changes in the domain of managing public expenditures

    Directory of Open Access Journals (Sweden)

    Dimitrijević Marina

    2016-01-01

    Full Text Available Public expenditures are a huge problem in contemporary states. In the conditions of a global economic crisis and the circumstances involving high level of citizen dissatisfaction related to the former methods of funding and managing the public sector (reflected in ruining the funding sources, irrational spending of public expenditure funds, increase in the budget deficit and the level of public debt, the changes in the domain of managing public expenditures have become a priority. By their nature, these changes are complex and long-lasting, and they should bring significant improvements in the field of public expenditure; they have to provide for lawful and purposeful spending of public funds. It is expected to lower the needed public incomes for financing public expenditure, to improve production and competition in the market economy, and to increase personal consumption, living standard and the quality of life of the population. Regardless of the social, economic, legal or political environment in each of state, the topical issue of reforming the management of public expenditures seems to imply a return to a somewhat neglected need for the public sector to function within its own financial possibilities. The state modernisation processes and advancement in the process of managing public expenditures call for a realistic evaluation of the existing condition and circumstances in which these processes occur, as well as the assessment of potential and actual risks that may hinder their effectiveness. Otherwise, it seems that the establishment of a significant level of responsibility in spending the budget funds and a greater transparency of public expenditure may be far-fetched goals.

  20. Combating Identity Fraud in the Public Domain: Information Strategies for Healthcare and Criminal Justice

    NARCIS (Netherlands)

    Plomp, M.G.A.; Grijpink, J.H.A.M.

    2011-01-01

    Two trends are present in both the private and public domain: increasing interorganisational co-operation and increasing digitisation. Nowadays, more and more processes within and between organisations take place electronically. These developments are visible on local, national and European scale.

  1. Spectral nudging to eliminate the effects of domain position and geometry in regional climate model simulations

    Science.gov (United States)

    Miguez-Macho, Gonzalo; Stenchikov, Georgiy L.; Robock, Alan

    2004-07-01

    It is well known that regional climate simulations are sensitive to the size and position of the domain chosen for calculations. Here we study the physical mechanisms of this sensitivity. We conducted simulations with the Regional Atmospheric Modeling System (RAMS) for June 2000 over North America at 50 km horizontal resolution using a 7500 km × 5400 km grid and NCEP/NCAR reanalysis as boundary conditions. The position of the domain was displaced in several directions, always maintaining the U.S. in the interior, out of the buffer zone along the lateral boundaries. Circulation biases developed a large scale structure, organized by the Rocky Mountains, resulting from a systematic shifting of the synoptic wave trains that crossed the domain. The distortion of the large-scale circulation was produced by interaction of the modeled flow with the lateral boundaries of the nested domain and varied when the position of the grid was altered. This changed the large-scale environment among the different simulations and translated into diverse conditions for the development of the mesoscale processes that produce most of precipitation for the Great Plains in the summer season. As a consequence, precipitation results varied, sometimes greatly, among the experiments with the different grid positions. To eliminate the dependence of results on the position of the domain, we used spectral nudging of waves longer than 2500 km above the boundary layer. Moisture was not nudged at any level. This constrained the synoptic scales to follow reanalysis while allowing the model to develop the small-scale dynamics responsible for the rainfall. Nudging of the large scales successfully eliminated the variation of precipitation results when the grid was moved. We suggest that this technique is necessary for all downscaling studies with regional models with domain sizes of a few thousand kilometers and larger embedded in global models.

  2. Helicopter time-domain electromagnetic numerical simulation based on Leapfrog ADI-FDTD

    Science.gov (United States)

    Guan, S.; Ji, Y.; Li, D.; Wu, Y.; Wang, A.

    2017-12-01

    We present a three-dimension (3D) Alternative Direction Implicit Finite-Difference Time-Domain (Leapfrog ADI-FDTD) method for the simulation of helicopter time-domain electromagnetic (HTEM) detection. This method is different from the traditional explicit FDTD, or ADI-FDTD. Comparing with the explicit FDTD, leapfrog ADI-FDTD algorithm is no longer limited by Courant-Friedrichs-Lewy(CFL) condition. Thus, the time step is longer. Comparing with the ADI-FDTD, we reduce the equations from 12 to 6 and .the Leapfrog ADI-FDTD method will be easier for the general simulation. First, we determine initial conditions which are adopted from the existing method presented by Wang and Tripp(1993). Second, we derive Maxwell equation using a new finite difference equation by Leapfrog ADI-FDTD method. The purpose is to eliminate sub-time step and retain unconditional stability characteristics. Third, we add the convolution perfectly matched layer (CPML) absorbing boundary condition into the leapfrog ADI-FDTD simulation and study the absorbing effect of different parameters. Different absorbing parameters will affect the absorbing ability. We find the suitable parameters after many numerical experiments. Fourth, We compare the response with the 1-Dnumerical result method for a homogeneous half-space to verify the correctness of our algorithm.When the model contains 107*107*53 grid points, the conductivity is 0.05S/m. The results show that Leapfrog ADI-FDTD need less simulation time and computer storage space, compared with ADI-FDTD. The calculation speed decreases nearly four times, memory occupation decreases about 32.53%. Thus, this algorithm is more efficient than the conventional ADI-FDTD method for HTEM detection, and is more precise than that of explicit FDTD in the late time.

  3. Image simulation for HardWare In the Loop simulation in EO domain

    Science.gov (United States)

    Cathala, Thierry; Latger, Jean

    2015-10-01

    Infrared camera as a weapon sub system for automatic guidance is a key component for military carrier such as missile for example. The associated Image Processing, that controls the navigation, needs to be intensively assessed. Experimentation in the real world is very expensive. This is the main reason why hybrid simulation also called HardWare In the Loop (HWIL) is more and more required nowadays. In that field, IR projectors are able to cast IR fluxes of photons directly onto the IR camera of a given weapon system, typically a missile seeker head. Though in laboratory, the missile is so stimulated exactly like in the real world, provided a realistic simulation tool enables to perform synthetic images to be displayed by the IR projectors. The key technical challenge is to render the synthetic images at the required frequency. This paper focuses on OKTAL-SE experience in this domain through its product SE-FAST-HWIL. It shows the methodology and Return of Experience from OKTAL-SE. Examples are given, in the frame of the SE-Workbench. The presentation focuses on trials on real operational complex 3D cases. In particular, three important topics, that are very sensitive with regards to IG performance, are detailed: first the 3D sea surface representation, then particle systems rendering especially to simulate flares and at last sensor effects modelling. Beyond "projection mode", some information will be given on the SE-FAST-HWIL new capabilities dedicated to "injection mode".

  4. Simulation of power fluctuation of wind farms based on frequency domain

    DEFF Research Database (Denmark)

    Lin, Jin; Sun, Yuanzhang; Li, Guojie

    2011-01-01

    The wind power fluctuation model built up in the frequency domain is mathematically equivalent with that in the time domain, and has a clearer physical meaning therefore describes the fluctuation more accurately. However, the simulation of this model is required to deal with the time......-frequency transformation related to the power spectrum density (PSD), which is more special and complicated than normal transformations. Meanwhile, the computational complexity also increases significantly, more computation resources are needed. These problems negatively affect the engineering application of the model....... To overcome these disadvantages, the physical meaning of PSD based on fundamental concepts is presented, so that the specialties of this model compared with conventional ones can be understood. Then the time-frequency transformation algorithm is derived, which is fast to be implemented in digital computers...

  5. Simulations of super-structure domain walls in two dimensional assemblies of magnetic nanoparticles

    International Nuclear Information System (INIS)

    Jordanovic, J.; Frandsen, C.; Beleggia, M.; Schiøtz, J.

    2015-01-01

    We simulate the formation of domain walls in two-dimensional assemblies of magnetic nanoparticles. Particle parameters are chosen to match recent electron holography and Lorentz microscopy studies of almost monodisperse cobalt nanoparticles assembled into regular, elongated lattices. As the particles are small enough to consist of a single magnetic domain each, their magnetic interactions can be described by a spin model in which each particle is assigned a macroscopic “superspin.” Thus, the magnetic behaviour of these lattices may be compared to magnetic crystals with nanoparticle superspins taking the role of the atomic spins. The coupling is, however, different. The superspins interact only by dipolar interactions as exchange coupling between individual nanoparticles may be neglected due to interparticle spacing. We observe that it is energetically favorable to introduce domain walls oriented along the long dimension of nanoparticle assemblies rather than along the short dimension. This is unlike what is typically observed in continuous magnetic materials, where the exchange interaction introduces an energetic cost proportional to the area of the domain walls. Structural disorder, which will always be present in realistic assemblies, pins longitudinal domain walls when the external field is reversed, and makes a gradual reversal of the magnetization by migration of longitudinal domain walls possible, in agreement with previous experimental results

  6. Invited Article: Acousto-optic finite-difference frequency-domain algorithm for first-principles simulations of on-chip acousto-optic devices

    Directory of Open Access Journals (Sweden)

    Yu Shi

    2017-02-01

    Full Text Available We introduce a finite-difference frequency-domain algorithm for coupled acousto-optic simulations. First-principles acousto-optic simulation in time domain has been challenging due to the fact that the acoustic and optical frequencies differ by many orders of magnitude. We bypass this difficulty by formulating the interactions between the optical and acoustic waves rigorously as a system of coupled nonlinear equations in frequency domain. This approach is particularly suited for on-chip devices that are based on a variety of acousto-optic interactions such as the stimulated Brillouin scattering. We validate our algorithm by simulating a stimulated Brillouin scattering process in a suspended waveguide structure and find excellent agreement with coupled-mode theory. We further provide an example of a simulation for a compact on-chip resonator device that greatly enhances the effect of stimulated Brillouin scattering. Our algorithm should facilitate the design of nanophotonic on-chip devices for the harnessing of photon-phonon interactions.

  7. New technique of identifying the hierarchy of dynamic domains in proteins using a method of molecular dynamics simulations

    Directory of Open Access Journals (Sweden)

    Yesylevskyy S. O.

    2010-04-01

    Full Text Available Aim. Despite a large number of existing domain identification techniques there is no universally accepted method, which identifies the hierarchy of dynamic domains using the data of molecular dynamics (MD simulations. The goal of this work is to develop such technique. Methods. The dynamic domains are identified by eliminating systematic motions from MD trajectories recursively in a model-free manner. Results. The technique called the Hierarchical Domain-Wise Alignment (HDWA to identify hierarchically organized dynamic domains in proteins using the MD trajectories has been developed. Conclusion. A new method of domain identification in proteins is proposed

  8. Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations

    International Nuclear Information System (INIS)

    Bernado, Pau; Fernandes, Miguel X.; Jacobs, Doris M.; Fiebig, Klaus; Garcia de la Torre, Jose; Pons, Miquel

    2004-01-01

    Many important proteins contain multiple domains connected by flexible linkers. Inter-domain motion is suggested to play a key role in many processes involving molecular recognition. Heteronuclear NMR relaxation is sensitive to motions in the relevant time scales and could provide valuable information on the dynamics of multi-domain proteins. However, the standard analysis based on the separation of global tumbling and fast local motions is no longer valid for multi-domain proteins undergoing internal motions involving complete domains and that take place on the same time scale than the overall motion.The complexity of the motions experienced even for the simplest two-domain proteins are difficult to capture with simple extensions of the classical Lipari-Szabo approach. Hydrodynamic effects are expected to dominate the motion of the individual globular domains, as well as that of the complete protein. Using Pin1 as a test case, we have simulated its motion at the microsecond time scale, at a reasonable computational expense, using Brownian Dynamic simulations on simplified models. The resulting trajectories provide insight on the interplay between global and inter-domain motion and can be analyzed using the recently published method of isotropic Reorientational Mode Dynamics which offer a way of calculating their contribution to heteronuclear relaxation rates. The analysis of trajectories computed with Pin1 models of different flexibility provides a general framework to understand the dynamics of multi-domain proteins and explains some of the observed features in the relaxation rate profile of free Pin1

  9. Interpretation of NMR relaxation properties of Pin1, a two-domain protein, based on Brownian dynamic simulations

    Energy Technology Data Exchange (ETDEWEB)

    Bernado, Pau [Institut de Biologie Structurale, Jean Pierre Ebel (France); Fernandes, Miguel X. [Universidad de Murcia, Departamento de Quimica Fisica, Facultad de Quimica (Spain); Jacobs, Doris M. [Johann Wolfgang Goethe-Universitaet Frankfurt, Institut fuer Organische Chemie und Chemische Biologie (Germany); Fiebig, Klaus [Affinium Pharmaceuticals (Canada); Garcia de la Torre, Jose [Universidad de Murcia, Departamento de Quimica Fisica, Facultad de Quimica (Spain); Pons, Miquel [Laboratori de RMN de Biomolecules, Parc Cientific de Barcelona (Spain)], E-mail: mpons@ub.edu

    2004-05-15

    Many important proteins contain multiple domains connected by flexible linkers. Inter-domain motion is suggested to play a key role in many processes involving molecular recognition. Heteronuclear NMR relaxation is sensitive to motions in the relevant time scales and could provide valuable information on the dynamics of multi-domain proteins. However, the standard analysis based on the separation of global tumbling and fast local motions is no longer valid for multi-domain proteins undergoing internal motions involving complete domains and that take place on the same time scale than the overall motion.The complexity of the motions experienced even for the simplest two-domain proteins are difficult to capture with simple extensions of the classical Lipari-Szabo approach. Hydrodynamic effects are expected to dominate the motion of the individual globular domains, as well as that of the complete protein. Using Pin1 as a test case, we have simulated its motion at the microsecond time scale, at a reasonable computational expense, using Brownian Dynamic simulations on simplified models. The resulting trajectories provide insight on the interplay between global and inter-domain motion and can be analyzed using the recently published method of isotropic Reorientational Mode Dynamics which offer a way of calculating their contribution to heteronuclear relaxation rates. The analysis of trajectories computed with Pin1 models of different flexibility provides a general framework to understand the dynamics of multi-domain proteins and explains some of the observed features in the relaxation rate profile of free Pin1.

  10. Efficient method for time-domain simulation of the linear feedback systems containing fractional order controllers.

    Science.gov (United States)

    Merrikh-Bayat, Farshad

    2011-04-01

    One main approach for time-domain simulation of the linear output-feedback systems containing fractional-order controllers is to approximate the transfer function of the controller with an integer-order transfer function and then perform the simulation. In general, this approach suffers from two main disadvantages: first, the internal stability of the resulting feedback system is not guaranteed, and second, the amount of error caused by this approximation is not exactly known. The aim of this paper is to propose an efficient method for time-domain simulation of such systems without facing the above mentioned drawbacks. For this purpose, the fractional-order controller is approximated with an integer-order transfer function (possibly in combination with the delay term) such that the internal stability of the closed-loop system is guaranteed, and then the simulation is performed. It is also shown that the resulting approximate controller can effectively be realized by using the proposed method. Some formulas for estimating and correcting the simulation error, when the feedback system under consideration is subjected to the unit step command or the unit step disturbance, are also presented. Finally, three numerical examples are studied and the results are compared with the Oustaloup continuous approximation method. Copyright © 2011 ISA. Published by Elsevier Ltd. All rights reserved.

  11. Application of the symplectic finite-difference time-domain scheme to electromagnetic simulation

    International Nuclear Information System (INIS)

    Sha, Wei; Huang, Zhixiang; Wu, Xianliang; Chen, Mingsheng

    2007-01-01

    An explicit fourth-order finite-difference time-domain (FDTD) scheme using the symplectic integrator is applied to electromagnetic simulation. A feasible numerical implementation of the symplectic FDTD (SFDTD) scheme is specified. In particular, new strategies for the air-dielectric interface treatment and the near-to-far-field (NFF) transformation are presented. By using the SFDTD scheme, both the radiation and the scattering of three-dimensional objects are computed. Furthermore, the energy-conserving characteristic hold for the SFDTD scheme is verified under long-term simulation. Numerical results suggest that the SFDTD scheme is more efficient than the traditional FDTD method and other high-order methods, and can save computational resources

  12. Overcoming artificial spatial correlations in simulations of superstructure domain growth with parallel Monte Carlo algorithms

    International Nuclear Information System (INIS)

    Schleier, W.; Besold, G.; Heinz, K.

    1992-01-01

    The authors study the applicability of parallelized/vectorized Monte Carlo (MC) algorithms to the simulation of domain growth in two-dimensional lattice gas models undergoing an ordering process after a rapid quench below an order-disorder transition temperature. As examples they consider models with 2 x 1 and c(2 x 2) equilibrium superstructures on the square and rectangular lattices, respectively. They also study the case of phase separation ('1 x 1' islands) on the square lattice. A generalized parallel checkerboard algorithm for Kawasaki dynamics is shown to give rise to artificial spatial correlations in all three models. However, only if superstructure domains evolve do these correlations modify the kinetics by influencing the nucleation process and result in a reduced growth exponent compared to the value from the conventional heat bath algorithm with random single-site updates. In order to overcome these artificial modifications, two MC algorithms with a reduced degree of parallelism ('hybrid' and 'mask' algorithms, respectively) are presented and applied. As the results indicate, these algorithms are suitable for the simulation of superstructure domain growth on parallel/vector computers. 60 refs., 10 figs., 1 tab

  13. Investigating Simulated Driving Errors in Amnestic Single- and Multiple-Domain Mild Cognitive Impairment.

    Science.gov (United States)

    Hird, Megan A; Vesely, Kristin A; Fischer, Corinne E; Graham, Simon J; Naglie, Gary; Schweizer, Tom A

    2017-01-01

    The areas of driving impairment characteristic of mild cognitive impairment (MCI) remain unclear. This study compared the simulated driving performance of 24 individuals with MCI, including amnestic single-domain (sd-MCI, n = 11) and amnestic multiple-domain MCI (md-MCI, n = 13), and 20 age-matched controls. Individuals with MCI committed over twice as many driving errors (20.0 versus 9.9), demonstrated difficulty with lane maintenance, and committed more errors during left turns with traffic compared to healthy controls. Specifically, individuals with md-MCI demonstrated greater driving difficulty compared to healthy controls, relative to those with sd-MCI. Differentiating between different subtypes of MCI may be important when evaluating driving safety.

  14. Large Scale Simulation of Hydrogen Dispersion by a Stabilized Balancing Domain Decomposition Method

    Directory of Open Access Journals (Sweden)

    Qing-He Yao

    2014-01-01

    Full Text Available The dispersion behaviour of leaking hydrogen in a partially open space is simulated by a balancing domain decomposition method in this work. An analogy of the Boussinesq approximation is employed to describe the connection between the flow field and the concentration field. The linear systems of Navier-Stokes equations and the convection diffusion equation are symmetrized by a pressure stabilized Lagrange-Galerkin method, and thus a balancing domain decomposition method is enabled to solve the interface problem of the domain decomposition system. Numerical results are validated by comparing with the experimental data and available numerical results. The dilution effect of ventilation is investigated, especially at the doors, where flow pattern is complicated and oscillations appear in the past research reported by other researchers. The transient behaviour of hydrogen and the process of accumulation in the partially open space are discussed, and more details are revealed by large scale computation.

  15. Time domain simulation of piezoelectric excitation of guided waves in rails using waveguide finite elements

    CSIR Research Space (South Africa)

    Loveday, PW

    2007-03-01

    Full Text Available Piezoelectric transducers are commonly used to excite waves in elastic waveguides such as pipes, rock bolts and rails. While it is possible to simulate the operation of these transducers attached to the waveguide, in the time domain, using...

  16. Automatic domain updating technique for improving computational efficiency of 2-D flood-inundation simulation

    Science.gov (United States)

    Tanaka, T.; Tachikawa, Y.; Ichikawa, Y.; Yorozu, K.

    2017-12-01

    Flood is one of the most hazardous disasters and causes serious damage to people and property around the world. To prevent/mitigate flood damage through early warning system and/or river management planning, numerical modelling of flood-inundation processes is essential. In a literature, flood-inundation models have been extensively developed and improved to achieve flood flow simulation with complex topography at high resolution. With increasing demands on flood-inundation modelling, its computational burden is now one of the key issues. Improvements of computational efficiency of full shallow water equations are made from various perspectives such as approximations of the momentum equations, parallelization technique, and coarsening approaches. To support these techniques and more improve the computational efficiency of flood-inundation simulations, this study proposes an Automatic Domain Updating (ADU) method of 2-D flood-inundation simulation. The ADU method traces the wet and dry interface and automatically updates the simulation domain in response to the progress and recession of flood propagation. The updating algorithm is as follow: first, to register the simulation cells potentially flooded at initial stage (such as floodplains nearby river channels), and then if a registered cell is flooded, to register its surrounding cells. The time for this additional process is saved by checking only cells at wet and dry interface. The computation time is reduced by skipping the processing time of non-flooded area. This algorithm is easily applied to any types of 2-D flood inundation models. The proposed ADU method is implemented to 2-D local inertial equations for the Yodo River basin, Japan. Case studies for two flood events show that the simulation is finished within two to 10 times smaller time showing the same result as that without the ADU method.

  17. Molecular dynamics simulations revealed structural differences among WRKY domain-DNA interaction in barley (Hordeum vulgare).

    Science.gov (United States)

    Pandey, Bharati; Grover, Abhinav; Sharma, Pradeep

    2018-02-12

    The WRKY transcription factors are a class of DNA-binding proteins involved in diverse plant processes play critical roles in response to abiotic and biotic stresses. Genome-wide divergence analysis of WRKY gene family in Hordeum vulgare provided a framework for molecular evolution and functional roles. So far, the crystal structure of WRKY from barley has not been resolved; moreover, knowledge of the three-dimensional structure of WRKY domain is pre-requisites for exploring the protein-DNA recognition mechanisms. Homology modelling based approach was used to generate structures for WRKY DNA binding domain (DBD) and its variants using AtWRKY1 as a template. Finally, the stability and conformational changes of the generated model in unbound and bound form was examined through atomistic molecular dynamics (MD) simulations for 100 ns time period. In this study, we investigated the comparative binding pattern of WRKY domain and its variants with W-box cis-regulatory element using molecular docking and dynamics (MD) simulations assays. The atomic insight into WRKY domain exhibited significant variation in the intermolecular hydrogen bonding pattern, leading to the structural anomalies in the variant type and differences in the DNA-binding specificities. Based on the MD analysis, residual contribution and interaction contour, wild-type WRKY (HvWRKY46) were found to interact with DNA through highly conserved heptapeptide in the pre- and post-MD simulated complexes, whereas heptapeptide interaction with DNA was missing in variants (I and II) in post-MD complexes. Consequently, through principal component analysis, wild-type WRKY was also found to be more stable by obscuring a reduced conformational space than the variant I (HvWRKY34). Lastly, high binding free energy for wild-type and variant II allowed us to conclude that wild-type WRKY-DNA complex was more stable relative to variants I. The results of our study revealed complete dynamic and structural information

  18. Time-domain finite-difference/finite-element hybrid simulations of radio frequency coils in magnetic resonance imaging

    International Nuclear Information System (INIS)

    Wang Shumin; Duyn, Jeff H

    2008-01-01

    A hybrid method that combines the finite-difference time-domain (FDTD) method and the finite-element time-domain (FETD) method is presented for simulating radio-frequency (RF) coils in magnetic resonance imaging. This method applies a high-fidelity FETD method to RF coils, while the human body is modeled with a low-cost FDTD method. Since the FDTD and the FETD methods are applied simultaneously, the dynamic interaction between RF coils and the human body is fully accounted for. In order to simplify the treatment of the highly irregular FDTD/FETD interface, composite elements are proposed. Two examples are provided to demonstrate the validity and effectiveness of the hybrid method in high-field receive-and-transmit coil design. This approach is also applicable to general bio-electromagnetic simulations

  19. Power-feedwater enthalpy operating domain for SBWR applying Monte Carlo simulation

    International Nuclear Information System (INIS)

    Quezada-Garcia, S.; Espinosa-Martinez, E.-G.; Vazquez-Rodriguez, A.; Varela-Ham, J.R.; Espinosa-Paredes, G.

    2014-01-01

    In this work the analyses of the feedwater enthalpy effects on reactor power in a simplified boiling water reactor (SBWR) applying a methodology based on Monte Carlo's simulation (MCS), is presented. The MCS methodology was applied systematically to establish operating domain, due that the SBWR are not yet in operation, the analysis of the nuclear and thermalhydraulic processes must rely on numerical modeling, with the purpose of developing or confirming the design basis and qualifying the existing or new computer codes to enable reliable analyses. (author)

  20. Towards dual recycling with the aid of time and frequency domain simulations

    International Nuclear Information System (INIS)

    Malec, M; Grote, H; Freise, A; Heinzel, G; Strain, K A; Hough, J; Danzmann, K

    2004-01-01

    Dual recycling, the combination of the interferometric techniques of power and signal recycling, allows the improvement of the shot noise limited sensitivity of interferometric gravitational wave detectors. GEO 600 is the first km-scale gravitational wave detector using dual recycling. The hardware installation is completed and dual recycling has become a great challenge in terms of commissioning of GEO 600. Simulations show that lock acquisition of the optical system can only be achieved in certain detector states. Thus as we need to start with a locked detector in such a specific state, an appropriate strategy is needed to change the state of detector operation without losing lock. The basic concepts and first results based on time and frequency domain simulations will be presented in this paper

  1. Time domain simulation of Gd3+-Gd3+ distance measurements by EPR

    Science.gov (United States)

    Manukovsky, Nurit; Feintuch, Akiva; Kuprov, Ilya; Goldfarb, Daniella

    2017-07-01

    Gd3+-based spin labels are useful as an alternative to nitroxides for intramolecular distance measurements at high fields in biological systems. However, double electron-electron resonance (DEER) measurements using model Gd3+ complexes featured a low modulation depth and an unexpected broadening of the distance distribution for short Gd3+-Gd3+ distances, when analysed using the software designed for S = 1/2 pairs. It appears that these effects result from the different spectroscopic characteristics of Gd3+—the high spin, the zero field splitting (ZFS), and the flip-flop terms in the dipolar Hamiltonian that are often ignored for spin-1/2 systems. An understanding of the factors affecting the modulation frequency and amplitude is essential for the correct analysis of Gd3+-Gd3+ DEER data and for the educated choice of experimental settings, such as Gd3+ spin label type and the pulse parameters. This work uses time-domain simulations of Gd3+-Gd3+ DEER by explicit density matrix propagation to elucidate the factors shaping Gd3+ DEER traces. The simulations show that mixing between the |+½, -½> and |-½, +½> states of the two spins, caused by the flip-flop term in the dipolar Hamiltonian, leads to dampening of the dipolar modulation. This effect may be mitigated by a large ZFS or by pulse frequency settings allowing for a decreased contribution of the central transition and the one adjacent to it. The simulations reproduce both the experimental line shapes of the Fourier-transforms of the DEER time domain traces and the trends in the behaviour of the modulation depth, thus enabling a more systematic design and analysis of Gd3+ DEER experiments.

  2. Simulating publication bias

    DEFF Research Database (Denmark)

    Paldam, Martin

    is censoring: selection by the size of estimate; SR3 selects the optimal combination of fit and size; and SR4 selects the first satisficing result. The last four SRs are steered by priors and result in bias. The MST and the FAT-PET have been developed for detection and correction of such bias. The simulations......Economic research typically runs J regressions for each selected for publication – it is often selected as the ‘best’ of the regressions. The paper examines five possible meanings of the word ‘best’: SR0 is ideal selection with no bias; SR1 is polishing: selection by statistical fit; SR2...... are made by data variation, while the model is the same. It appears that SR0 generates narrow funnels much at odds with observed funnels, while the other four funnels look more realistic. SR1 to SR4 give the mean a substantial bias that confirms the prior causing the bias. The FAT-PET MRA works well...

  3. Fast resolution of the neutron diffusion equation through public domain Ode codes

    Energy Technology Data Exchange (ETDEWEB)

    Garcia, V.M.; Vidal, V.; Garayoa, J. [Universidad Politecnica de Valencia, Departamento de Sistemas Informaticos, Valencia (Spain); Verdu, G. [Universidad Politecnica de Valencia, Departamento de Ingenieria Quimica y Nuclear, Valencia (Spain); Gomez, R. [I.E.S. de Tavernes Blanques, Valencia (Spain)

    2003-07-01

    The time-dependent neutron diffusion equation is a partial differential equation with source terms. The resolution method usually includes discretizing the spatial domain, obtaining a large system of linear, stiff ordinary differential equations (ODEs), whose resolution is computationally very expensive. Some standard techniques use a fixed time step to solve the ODE system. This can result in errors (if the time step is too large) or in long computing times (if the time step is too little). To speed up the resolution method, two well-known public domain codes have been selected: DASPK and FCVODE that are powerful codes for the resolution of large systems of stiff ODEs. These codes can estimate the error after each time step, and, depending on this estimation can decide which is the new time step and, possibly, which is the integration method to be used in the next step. With these mechanisms, it is possible to keep the overall error below the chosen tolerances, and, when the system behaves smoothly, to take large time steps increasing the execution speed. In this paper we address the use of the public domain codes DASPK and FCVODE for the resolution of the time-dependent neutron diffusion equation. The efficiency of these codes depends largely on the preconditioning of the big systems of linear equations that must be solved. Several pre-conditioners have been programmed and tested; it was found that the multigrid method is the best of the pre-conditioners tested. Also, it has been found that DASPK has performed better than FCVODE, being more robust for our problem.We can conclude that the use of specialized codes for solving large systems of ODEs can reduce drastically the computational work needed for the solution; and combining them with appropriate pre-conditioners, the reduction can be still more important. It has other crucial advantages, since it allows the user to specify the allowed error, which cannot be done in fixed step implementations; this, of course

  4. A finite-difference time-domain simulation of high power microwave generated plasma at atmospheric pressures

    International Nuclear Information System (INIS)

    Ford, Patrick J.; Beeson, Sterling R.; Krompholz, Hermann G.; Neuber, Andreas A.

    2012-01-01

    A finite-difference algorithm was developed to calculate several RF breakdown parameters, for example, the formative delay time that is observed between the initial application of a RF field to a dielectric surface and the formation of field-induced plasma interrupting the RF power flow. The analysis is focused on the surface being exposed to a background gas pressure above 50 Torr. The finite-difference algorithm provides numerical solutions to partial differential equations with high resolution in the time domain, making it suitable for simulating the time evolving interaction of microwaves with plasma; in lieu of direct particle tracking, a macroscopic electron density is used to model growth and transport. This approach is presented as an alternative to particle-in-cell methods due to its low complexity and runtime leading to more efficient analysis for a simulation of a microsecond scale pulse. The effect and development of the plasma is modeled in the simulation using scaling laws for ionization rates, momentum transfer collision rates, and diffusion coefficients, as a function of electric field, gas type and pressure. The incorporation of plasma material into the simulation involves using the Z-transform to derive a time-domain algorithm from the complex frequency-dependent permittivity of plasma. Therefore, the effect of the developing plasma on the instantaneous microwave field is calculated. Simulation results are compared with power measurements using an apparatus designed to facilitate surface flashover across a polycarbonate boundary in a controlled N 2 , air, or argon environment at pressures exceeding 50 Torr.

  5. Free-Space Squeezing Assists Perfectly Matched Layers in Simulations on a Tight Domain

    DEFF Research Database (Denmark)

    Shyroki, Dzmitry; Ivinskaya, Aliaksandra; Lavrinenko, Andrei

    2010-01-01

    outside the object, as in simulations of eigenmodes or scattering at a wavelength comparable to or larger than the object itself. Here, we show how, in addition to applying the perfectly matched layers (PMLs), outer free space can be squeezed to avoid cutting the evanescent field tails by the PMLs...... or computational domain borders. Adding the squeeze-transform layers to the standard PMLs requires no changes to the finite-difference algorithms....

  6. Simulation research to enhance patient safety and outcomes: recommendations of the Simnovate Patient Safety Domain Group

    OpenAIRE

    Pucher, PH; Tamblyn, R; Boorman, D; Dixon-Woods, Mary Margaret; Donaldson, L; Draycott, T; Forster, A; Nadkarni, V; Power, C; Sevdalis, N; Aggarwal, R

    2017-01-01

    The use of simulation-based training has established itself in healthcare but its implementation has been varied and mostly limited to technical and non-technical skills training. This article discusses the possibilities of the use of simulation as part of an overarching approach to improving patient safety, and represents the views of the Simnovate Patient Safety Domain Group, an international multidisciplinary expert group dedicated to the improvement of patient safety. The application and ...

  7. Time-domain simulation and nonlinear analysis on ride performance of four-wheel vehicles

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y S; He, H; Geng, A L [School of Automobile and Traffic Engineering, Liaoning University of Technology, Jinzhou 121001 (China)], E-mail: jzwbt@163.com

    2008-02-15

    A nonlinear dynamic model with eight DOFs of a four-wheel vehicle is established in this paper. After detaching the nonlinear characteristics of the leaf springs and shock absorbers, the multi-step linearizing method is used to simulate the vehicle vibration in time domain, under a correlated four-wheel road roughness model. Experimental verifications suggest that the newly built vehicle model and simulation procedure are reasonable and feasible to be used in vehicle vibration analysis. Furthermore, some nonlinear factors of the leaf springs and shock absorbers, which affect the vehicle ride performance (or comfort), are investigated under different vehicle running speeds. Some substaintial rules of the nonlinear vehicle vibrations are revealed in this paper.

  8. Time-domain simulation and nonlinear analysis on ride performance of four-wheel vehicles

    International Nuclear Information System (INIS)

    Wang, Y S; He, H; Geng, A L

    2008-01-01

    A nonlinear dynamic model with eight DOFs of a four-wheel vehicle is established in this paper. After detaching the nonlinear characteristics of the leaf springs and shock absorbers, the multi-step linearizing method is used to simulate the vehicle vibration in time domain, under a correlated four-wheel road roughness model. Experimental verifications suggest that the newly built vehicle model and simulation procedure are reasonable and feasible to be used in vehicle vibration analysis. Furthermore, some nonlinear factors of the leaf springs and shock absorbers, which affect the vehicle ride performance (or comfort), are investigated under different vehicle running speeds. Some substaintial rules of the nonlinear vehicle vibrations are revealed in this paper

  9. Multiscale Simulations Suggest a Mechanism for the Association of the Dok7 PH Domain with PIP-Containing Membranes.

    Directory of Open Access Journals (Sweden)

    Amanda Buyan

    2016-07-01

    Full Text Available Dok7 is a peripheral membrane protein that is associated with the MuSK receptor tyrosine kinase. Formation of the Dok7/MuSK/membrane complex is required for the activation of MuSK. This is a key step in the complex exchange of signals between neuron and muscle, which lead to neuromuscular junction formation, dysfunction of which is associated with congenital myasthenic syndromes. The Dok7 structure consists of a Pleckstrin Homology (PH domain and a Phosphotyrosine Binding (PTB domain. The mechanism of the Dok7 association with the membrane remains largely unknown. Using multi-scale molecular dynamics simulations we have explored the formation of the Dok7 PH/membrane complex. Our simulations indicate that the PH domain of Dok7 associates with membranes containing phosphatidylinositol phosphates (PIPs via interactions of the β1/β2, β3/β4, and β5/β6 loops, which together form a positively charged surface on the PH domain and interact with the negatively charged headgroups of PIP molecules. The initial encounter of the Dok7 PH domain is followed by formation of additional interactions with the lipid bilayer, and especially with PIP molecules, which stabilizes the Dok7 PH/membrane complex. We have quantified the binding of the PH domain to the model bilayers by calculating a density landscape for protein/membrane interactions. Detailed analysis of the PH/PIP interactions reveal both a canonical and an atypical site to be occupied by the anionic lipid. PH domain binding leads to local clustering of PIP molecules in the bilayer. Association of the Dok7 PH domain with PIP lipids is therefore seen as a key step in localization of Dok7 to the membrane and formation of a complex with MuSK.

  10. A Systematic Review of Agent-Based Modelling and Simulation Applications in the Higher Education Domain

    Science.gov (United States)

    Gu, X.; Blackmore, K. L.

    2015-01-01

    This paper presents the results of a systematic review of agent-based modelling and simulation (ABMS) applications in the higher education (HE) domain. Agent-based modelling is a "bottom-up" modelling paradigm in which system-level behaviour (macro) is modelled through the behaviour of individual local-level agent interactions (micro).…

  11. Time domain SAR raw data simulation using CST and image focusing of 3D objects

    Science.gov (United States)

    Saeed, Adnan; Hellwich, Olaf

    2017-10-01

    This paper presents the use of a general purpose electromagnetic simulator, CST, to simulate realistic synthetic aperture radar (SAR) raw data of three-dimensional objects. Raw data is later focused in MATLAB using range-doppler algorithm. Within CST Microwave Studio a replica of TerraSAR-X chirp signal is incident upon a modeled Corner Reflector (CR) whose design and material properties are identical to that of the real one. Defining mesh and other appropriate settings reflected wave is measured at several distant points within a line parallel to the viewing direction. This is analogous to an array antenna and is synthesized to create a long aperture for SAR processing. The time domain solver in CST is based on the solution of differential form of Maxwells equations. Exported data from CST is arranged into a 2-d matrix of axis range and azimuth. Hilbert transform is applied to convert the real signal to complex data with phase information. Range compression, range cell migration correction (RCMC), and azimuth compression are applied in time domain to obtain the final SAR image. This simulation can provide valuable information to clarify which real world objects cause images suitable for high accuracy identification in the SAR images.

  12. Simulator: A Pilot Interactive Simulation Program for Use in Teaching Public Relations.

    Science.gov (United States)

    Pavlik, John V.

    An interactive simulation program was developed for use in teaching students how to handle public relations problems. The program user is placed in the role of assistant newsletter editor, facing a series of decision-making situations. Each choice the user makes affects the subsequent reality created by the program, which is designed to provide…

  13. Generalized algorithm for control of numerical dispersion in explicit time-domain electromagnetic simulations

    Directory of Open Access Journals (Sweden)

    Benjamin M. Cowan

    2013-04-01

    Full Text Available We describe a modification to the finite-difference time-domain algorithm for electromagnetics on a Cartesian grid which eliminates numerical dispersion error in vacuum for waves propagating along a grid axis. We provide details of the algorithm, which generalizes previous work by allowing 3D operation with a wide choice of aspect ratio, and give conditions to eliminate dispersive errors along one or more of the coordinate axes. We discuss the algorithm in the context of laser-plasma acceleration simulation, showing significant reduction—up to a factor of 280, at a plasma density of 10^{23}  m^{-3}—of the dispersion error of a linear laser pulse in a plasma channel. We then compare the new algorithm with the standard electromagnetic update for laser-plasma accelerator stage simulations, demonstrating that by controlling numerical dispersion, the new algorithm allows more accurate simulation than is otherwise obtained. We also show that the algorithm can be used to overcome the critical but difficult challenge of consistent initialization of a relativistic particle beam and its fields in an accelerator simulation.

  14. The public understanding of nanotechnology in the food domain: the hidden role of views on science, technology, and nature.

    Science.gov (United States)

    Vandermoere, Frederic; Blanchemanche, Sandrine; Bieberstein, Andrea; Marette, Stephan; Roosen, Jutta

    2011-03-01

    In spite of great expectations about the potential of nanotechnology, this study shows that people are rather ambiguous and pessimistic about nanotechnology applications in the food domain. Our findings are drawn from a survey of public perceptions about nanotechnology food and nanotechnology food packaging (N = 752). Multinomial logistic regression analyses further reveal that knowledge about food risks and nanotechnology significantly influences people's views about nanotechnology food packaging. However, knowledge variables were unrelated to support for nanofood, suggesting that an increase in people's knowledge might not be sufficient to bridge the gap between the excitement some business leaders in the food sector have and the restraint of the public. Additionally, opposition to nanofood was not related to the use of heuristics but to trust in governmental agencies. Furthermore, the results indicate that public perceptions of nanoscience in the food domain significantly relate to views on science, technology, and nature.

  15. Sensitivity of simulated regional Arctic climate to the choice of coupled model domain

    Directory of Open Access Journals (Sweden)

    Dmitry V. Sein

    2014-07-01

    Full Text Available The climate over the Arctic has undergone changes in recent decades. In order to evaluate the coupled response of the Arctic system to external and internal forcing, our study focuses on the estimation of regional climate variability and its dependence on large-scale atmospheric and regional ocean circulations. A global ocean–sea ice model with regionally high horizontal resolution is coupled to an atmospheric regional model and global terrestrial hydrology model. This way of coupling divides the global ocean model setup into two different domains: one coupled, where the ocean and the atmosphere are interacting, and one uncoupled, where the ocean model is driven by prescribed atmospheric forcing and runs in a so-called stand-alone mode. Therefore, selecting a specific area for the regional atmosphere implies that the ocean–atmosphere system can develop ‘freely’ in that area, whereas for the rest of the global ocean, the circulation is driven by prescribed atmospheric forcing without any feedbacks. Five different coupled setups are chosen for ensemble simulations. The choice of the coupled domains was done to estimate the influences of the Subtropical Atlantic, Eurasian and North Pacific regions on northern North Atlantic and Arctic climate. Our simulations show that the regional coupled ocean–atmosphere model is sensitive to the choice of the modelled area. The different model configurations reproduce differently both the mean climate and its variability. Only two out of five model setups were able to reproduce the Arctic climate as observed under recent climate conditions (ERA-40 Reanalysis. Evidence is found that the main source of uncertainty for Arctic climate variability and its predictability is the North Pacific. The prescription of North Pacific conditions in the regional model leads to significant correlation with observations, even if the whole North Atlantic is within the coupled model domain. However, the inclusion of the

  16. PSpice modeling of broadband RF cavities for transient and frequency domain simulations

    Energy Technology Data Exchange (ETDEWEB)

    Harzheim, Jens [Institut fuer Theorie Elektromagnetischer Felder, Fachgebiet Beschleunigertechnik, TU Darmstadt (Germany)

    2016-07-01

    In the future accelerator facility FAIR, Barrier-Bucket Systems will play an important role for different longitudinal beam manipulations. As the function of this type of system is to provide single sine gap voltages, the components of the system have to operate in a broad frequency range. To investigate the different effects and to design the different system components, the whole Barrier-Bucket System is to be modeled in PSpice. While for low power signals, the system shows linear behavior, nonlinear effects arise at higher amplitudes. Therefore, simulations in both, frequency and time domain are needed. The highly frequency dependent magnetic alloy ring cores of the future Barrier-Bucket cavity have been mod eled in a first step and based on these models, the whole cavity was analyzed in PSpice. The simulation results show good agreement with former measurements.

  17. Proposing New Methods to Enhance the Low-Resolution Simulated GPR Responses in the Frequency and Wavelet Domains

    Directory of Open Access Journals (Sweden)

    Reza Ahmadi

    2014-12-01

    Full Text Available To date, a number of numerical methods, including the popular Finite-Difference Time Domain (FDTD technique, have been proposed to simulate Ground-Penetrating Radar (GPR responses. Despite having a number of advantages, the finite-difference method also has pitfalls such as being very time consuming in simulating the most common case of media with high dielectric permittivity, causing the forward modelling process to be very long lasting, even with modern high-speed computers. In the present study the well-known hyperbolic pattern response of horizontal cylinders, usually found in GPR B-Scan images, is used as a basic model to examine the possibility of reducing the forward modelling execution time. In general, the simulated GPR traces of common reflected objects are time shifted, as with the Normal Moveout (NMO traces encountered in seismic reflection responses. This suggests the application of Fourier transform to the GPR traces, employing the time-shifting property of the transformation to interpolate the traces between the adjusted traces in the frequency domain (FD. Therefore, in the present study two post-processing algorithms have been adopted to increase the speed of forward modelling while maintaining the required precision. The first approach is based on linear interpolation in the Fourier domain, resulting in increasing lateral trace-to-trace interval of appropriate sampling frequency of the signal, preventing any aliasing. In the second approach, a super-resolution algorithm based on 2D-wavelet transform is developed to increase both vertical and horizontal resolution of the GPR B-Scan images through preserving scale and shape of hidden hyperbola features. Through comparing outputs from both methods with the corresponding actual high-resolution forward response, it is shown that both approaches can perform satisfactorily, although the wavelet-based approach outperforms the frequency-domain approach noticeably, both in amplitude and

  18. Simulation reframed.

    Science.gov (United States)

    Kneebone, Roger L

    2016-01-01

    Simulation is firmly established as a mainstay of clinical education, and extensive research has demonstrated its value. Current practice uses inanimate simulators (with a range of complexity, sophistication and cost) to address the patient 'as body' and trained actors or lay people (Simulated Patients) to address the patient 'as person'. These approaches are often separate.Healthcare simulation to date has been largely for the training and assessment of clinical 'insiders', simulating current practices. A close coupling with the clinical world restricts access to the facilities and practices of simulation, often excluding patients, families and publics. Yet such perspectives are an essential component of clinical practice. This paper argues that simulation offers opportunities to move outside a clinical 'insider' frame and create connections with other individuals and groups. Simulation becomes a bridge between experts whose worlds do not usually intersect, inviting an exchange of insights around embodied practices-the 'doing' of medicine-without jeopardising the safety of actual patients.Healthcare practice and education take place within a clinical frame that often conceals parallels with other domains of expert practice. Valuable insights emerge by viewing clinical practice not only as the application of medical science but also as performance and craftsmanship.Such connections require a redefinition of simulation. Its essence is not expensive elaborate facilities. Developments such as hybrid, distributed and sequential simulation offer examples of how simulation can combine 'patient as body' with 'patient as person' at relatively low cost, democratising simulation and exerting traction beyond the clinical sphere.The essence of simulation is a purposeful design, based on an active process of selection from an originary world, abstraction of what is criterial and re - presentation in another setting for a particular purpose or audience. This may be done within

  19. Effects of sub-domain structure on initial magnetization curve and domain size distribution of stacked media

    International Nuclear Information System (INIS)

    Sato, S.; Kumagai, S.; Sugita, R.

    2015-01-01

    In this paper, in order to confirm the sub-domain structure in stacked media demagnetized with in-plane field, initial magnetization curves and magnetic domain size distribution were investigated. Both experimental and simulation results showed that an initial magnetization curve for the medium demagnetized with in-plane field (MDI) initially rose faster than that for the medium demagnetized with perpendicular field (MDP). It is inferred that this is because the MDI has a larger number of domain walls than the MDP due to the existence of the sub-domains, resulting in an increase in the probability of domain wall motion. Dispersion of domain size for the MDI was larger than that for the MDP. This is because sub-domains are formed not only inside the domain but also at the domain boundary region, and they change the position of the domain boundary to affect the domain size. - Highlights: • An initial magnetization curve for MDI initially rose faster than that for MDP. • Dispersion of domain size for the MDI was larger than that for the MDP. • Experimental and simulation results can be explained by existence of sub-domains

  20. Towards an information strategy for combating identity fraud in the public domain: Cases from healthcare and criminal justice

    NARCIS (Netherlands)

    Plomp, M.G.A.; Grijpink, J.H.A.M.

    2011-01-01

    Two trends are present in both the private and public domain: increasing interorganisational co-operation and increasing digitisation. More and more processes within and between organisations take place electronically, on local, national and European scale. The technological and organisational

  1. Fast simulation approaches for power fluctuation model of wind farm based on frequency domain

    DEFF Research Database (Denmark)

    Lin, Jin; Gao, Wen-zhong; Sun, Yuan-zhang

    2012-01-01

    This paper discusses one model developed by Riso, DTU, which is capable of simulating the power fluctuation of large wind farms in frequency domain. In the original design, the “frequency-time” transformations are time-consuming and might limit the computation speed for a wind farm of large size....... Under this background, this paper proposes four efficient approaches to accelerate the simulation speed. Two of them are based on physical model simplifications, and the other two improve the numerical computation. The case study demonstrates the efficiency of these approaches. The acceleration ratio...... is more than 300 times if all these approaches are adopted, in any low, medium and high wind speed test scenarios....

  2. Domain-enhanced analysis of microarray data using GO annotations.

    Science.gov (United States)

    Liu, Jiajun; Hughes-Oliver, Jacqueline M; Menius, J Alan

    2007-05-15

    New biological systems technologies give scientists the ability to measure thousands of bio-molecules including genes, proteins, lipids and metabolites. We use domain knowledge, e.g. the Gene Ontology, to guide analysis of such data. By focusing on domain-aggregated results at, say the molecular function level, increased interpretability is available to biological scientists beyond what is possible if results are presented at the gene level. We use a 'top-down' approach to perform domain aggregation by first combining gene expressions before testing for differentially expressed patterns. This is in contrast to the more standard 'bottom-up' approach, where genes are first tested individually then aggregated by domain knowledge. The benefits are greater sensitivity for detecting signals. Our method, domain-enhanced analysis (DEA) is assessed and compared to other methods using simulation studies and analysis of two publicly available leukemia data sets. Our DEA method uses functions available in R (http://www.r-project.org/) and SAS (http://www.sas.com/). The two experimental data sets used in our analysis are available in R as Bioconductor packages, 'ALL' and 'golubEsets' (http://www.bioconductor.org/). Supplementary data are available at Bioinformatics online.

  3. A micromagnetic study of domain structure modeling

    International Nuclear Information System (INIS)

    Matsuo, Tetsuji; Mimuro, Naoki; Shimasaki, Masaaki

    2008-01-01

    To develop a mesoscopic model for magnetic-domain behavior, a domain structure model (DSM) was examined and compared with a micromagnetic simulation. The domain structure of this model is given by several domains with uniform magnetization vectors and domain walls. The directions of magnetization vectors and the locations of domain walls are determined so as to minimize the magnetic total energy of the magnetic material. The DSM was modified to improve its representation capability for domain behavior. The domain wall energy is multiplied by a vanishing factor to represent the disappearance of magnetic domain. The sequential quadratic programming procedure is divided into two steps to improve an energy minimization process. A comparison with micromagnetic simulation shows that the modified DSM improves the representation accuracy of the magnetization process

  4. Power-feedwater temperature operating domain for Sbwr applying Monte Carlo simulation

    Energy Technology Data Exchange (ETDEWEB)

    Aguilar M, L. A.; Quezada G, S.; Espinosa M, E. G.; Vazquez R, A.; Varela H, J. R.; Cazares R, R. I.; Espinosa P, G., E-mail: sequega@gmail.com [Universidad Autonoma Metropolitana, Unidad Iztapalapa, San Rafael Atlixco No. 186, Col. Vicentina, 09340 Mexico D. F. (Mexico)

    2014-10-15

    In this work the analyses of the feedwater temperature effects on reactor power in a simplified boiling water reactor (Sbwr) applying a methodology based on Monte Carlo simulation is presented. The Monte Carlo methodology was applied systematically to establish operating domain, due that the Sbwr are not yet in operation, the analysis of the nuclear and thermal-hydraulic processes must rely on numerical modeling, with the purpose of developing or confirming the design basis and qualifying the existing or new computer codes to enable reliable analyses. The results show that the reactor power is inversely proportional to the temperature of the feedwater, reactor power changes at 8% when the feed water temperature changes in 8%. (Author)

  5. Power-feedwater temperature operating domain for Sbwr applying Monte Carlo simulation

    International Nuclear Information System (INIS)

    Aguilar M, L. A.; Quezada G, S.; Espinosa M, E. G.; Vazquez R, A.; Varela H, J. R.; Cazares R, R. I.; Espinosa P, G.

    2014-10-01

    In this work the analyses of the feedwater temperature effects on reactor power in a simplified boiling water reactor (Sbwr) applying a methodology based on Monte Carlo simulation is presented. The Monte Carlo methodology was applied systematically to establish operating domain, due that the Sbwr are not yet in operation, the analysis of the nuclear and thermal-hydraulic processes must rely on numerical modeling, with the purpose of developing or confirming the design basis and qualifying the existing or new computer codes to enable reliable analyses. The results show that the reactor power is inversely proportional to the temperature of the feedwater, reactor power changes at 8% when the feed water temperature changes in 8%. (Author)

  6. Low-Frequency Loudspeaker-Room Simulation Using Finite Differences in the Time Domain-Part 1: Analysis

    DEFF Research Database (Denmark)

    Celestinos, Adrian; Nielsen, Sofus Birkedal

    2008-01-01

    Small- and medium-size rectangular rooms have a strong influence on the low-frequency performance of loudspeakers. A simulation program based on the finite-difference time-domain (FDTD) method is introduced to analyze the sound field produced by loudspeakers in rectangular rooms at low frequencies...

  7. Combining Public Domain and Professional Panoramic Imagery for the Accurate and Dense 3d Reconstruction of the Destroyed Bel Temple in Palmyra

    Science.gov (United States)

    Wahbeh, W.; Nebiker, S.; Fangi, G.

    2016-06-01

    This paper exploits the potential of dense multi-image 3d reconstruction of destroyed cultural heritage monuments by either using public domain touristic imagery only or by combining the public domain imagery with professional panoramic imagery. The focus of our work is placed on the reconstruction of the temple of Bel, one of the Syrian heritage monuments, which was destroyed in September 2015 by the so called "Islamic State". The great temple of Bel is considered as one of the most important religious buildings of the 1st century AD in the East with a unique design. The investigations and the reconstruction were carried out using two types of imagery. The first are freely available generic touristic photos collected from the web. The second are panoramic images captured in 2010 for documenting those monuments. In the paper we present a 3d reconstruction workflow for both types of imagery using state-of-the art dense image matching software, addressing the non-trivial challenges of combining uncalibrated public domain imagery with panoramic images with very wide base-lines. We subsequently investigate the aspects of accuracy and completeness obtainable from the public domain touristic images alone and from the combination with spherical panoramas. We furthermore discuss the challenges of co-registering the weakly connected 3d point cloud fragments resulting from the limited coverage of the touristic photos. We then describe an approach using spherical photogrammetry as a virtual topographic survey allowing the co-registration of a detailed and accurate single 3d model of the temple interior and exterior.

  8. The Distributed-SDF Domain

    DEFF Research Database (Denmark)

    Cuadrado, Daniel Lázaro; Ravn, Anders Peter; Koch, Peter

    2005-01-01

    The purpose of the Distributed-SDF domain for Ptolemy II is to allow distributed simulation of SDF models. It builds on top of the existing SDF domain by extending it. From the user’s point of view, using the Distributed-SDF director is sufficient to run the distributed version. It provides optio...... distributed nature. First of all, known memory bounds of the JVM can be overcome. Second, it yields smaller simulation times, mainly for models with high degree of parallelism and granularity....

  9. Simulation of acoustic streaming by means of the finite-difference time-domain method

    DEFF Research Database (Denmark)

    Santillan, Arturo Orozco

    2012-01-01

    Numerical simulations of acoustic streaming generated by a standing wave in a narrow twodimensional cavity are presented. In this case, acoustic streaming arises from the viscous boundary layers set up at the surfaces of the walls. It is known that streaming vortices inside the boundary layer have...... directions of rotation that are opposite to those of the outer streaming vortices (Rayleigh streaming). The general objective of the work described in this paper has been to study the extent to which it is possible to simulate both the outer streaming vortices and the inner boundary layer vortices using...... the finite-difference time-domain method. To simplify the problem, thermal effects are not considered. The motivation of the described investigation has been the possibility of using the numerical method to study acoustic streaming, particularly under non-steady conditions. Results are discussed for channels...

  10. A domain decomposition method for pseudo-spectral electromagnetic simulations of plasmas

    International Nuclear Information System (INIS)

    Vay, Jean-Luc; Haber, Irving; Godfrey, Brendan B.

    2013-01-01

    Pseudo-spectral electromagnetic solvers (i.e. representing the fields in Fourier space) have extraordinary precision. In particular, Haber et al. presented in 1973 a pseudo-spectral solver that integrates analytically the solution over a finite time step, under the usual assumption that the source is constant over that time step. Yet, pseudo-spectral solvers have not been widely used, due in part to the difficulty for efficient parallelization owing to global communications associated with global FFTs on the entire computational domains. A method for the parallelization of electromagnetic pseudo-spectral solvers is proposed and tested on single electromagnetic pulses, and on Particle-In-Cell simulations of the wakefield formation in a laser plasma accelerator. The method takes advantage of the properties of the Discrete Fourier Transform, the linearity of Maxwell’s equations and the finite speed of light for limiting the communications of data within guard regions between neighboring computational domains. Although this requires a small approximation, test results show that no significant error is made on the test cases that have been presented. The proposed method opens the way to solvers combining the favorable parallel scaling of standard finite-difference methods with the accuracy advantages of pseudo-spectral methods

  11. Assessment of current cybersecurity practices in the public domain : cyber indications and warnings domain.

    Energy Technology Data Exchange (ETDEWEB)

    Hamlet, Jason R.; Keliiaa, Curtis M.

    2010-09-01

    This report assesses current public domain cyber security practices with respect to cyber indications and warnings. It describes cybersecurity industry and government activities, including cybersecurity tools, methods, practices, and international and government-wide initiatives known to be impacting current practice. Of particular note are the U.S. Government's Trusted Internet Connection (TIC) and 'Einstein' programs, which are serving to consolidate the Government's internet access points and to provide some capability to monitor and mitigate cyber attacks. Next, this report catalogs activities undertaken by various industry and government entities. In addition, it assesses the benchmarks of HPC capability and other HPC attributes that may lend themselves to assist in the solution of this problem. This report draws few conclusions, as it is intended to assess current practice in preparation for future work, however, no explicit references to HPC usage for the purpose of analyzing cyber infrastructure in near-real-time were found in the current practice. This report and a related SAND2010-4766 National Cyber Defense High Performance Computing and Analysis: Concepts, Planning and Roadmap report are intended to provoke discussion throughout a broad audience about developing a cohesive HPC centric solution to wide-area cybersecurity problems.

  12. A combined ADER-DG and PML approach for simulating wave propagation in unbounded domains

    KAUST Repository

    Amler, Thomas

    2012-09-19

    In this work, we present a numerical approach for simulating wave propagation in unbounded domains which combines discontinuous Galerkin methods with arbitrary high order time integration (ADER-DG) and a stabilized modification of perfectly matched layers (PML). Here, the ADER-DG method is applied to Bérenger’s formulation of PML. The instabilities caused by the original PML formulation are treated by a fractional step method that allows to monitor whether waves are damped in PML region. In grid cells where waves are amplified by the PML, the contribution of damping terms is neglected and auxiliary variables are reset. Results of 2D simulations in acoustic media with constant and discontinuous material parameters are presented to illustrate the performance of the method.

  13. Insights into the folding and unfolding processes of wild-type and mutated SH3 domain by molecular dynamics and replica exchange molecular dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Wen-Ting Chu

    Full Text Available Src-homology regions 3 (SH3 domain is essential for the down-regulation of tyrosine kinase activity. Mutation A39V/N53P/V55L of SH3 is found to be relative to the urgent misfolding diseases. To gain insight, the human and gallus SH3 domains (PDB ID: 1NYG and 2LP5, including 58 amino acids in each protein, were selected for MD simulations (Amber11, ff99SB force field and cluster analysis to investigate the influence of mutations on the spatial structure of the SH3 domain. It is found that the large conformational change of mutations mainly exists in three areas in the vicinity of protein core: RT loop, N-src loop, distal β-hairpin to 310 helix. The C-terminus of the mutated gallus SH3 is disordered after simulation, which represents the intermediate state of aggregation. The disappeared strong Hbond net in the mutated human and gallus systems will make these mutated proteins looser than the wild-type proteins. Additionally, by performing the REMD simulations on the gallus SH3 domain, the mutated domain is found to have an obvious effect on the unfolding process. These studies will be helpful for further aggregation mechanisms investigations on SH3 family.

  14. Enhancing public access to legal information : A proposal for a new official legal information generic top-level domain

    NARCIS (Netherlands)

    Mitee, Leesi Ebenezer

    2017-01-01

    Abstract: This article examines the use of a new legal information generic Top-Level Domain (gTLD) as a viable tool for easy identification of official legal information websites (OLIWs) and enhancing global public access to their resources. This intervention is necessary because of the existence of

  15. Into the Dark Domain: The UK Web Archive as a Source for the Contemporary History of Public Health

    Science.gov (United States)

    Gorsky, Martin

    2015-01-01

    With the migration of the written record from paper to digital format, archivists and historians must urgently consider how web content should be conserved, retrieved and analysed. The British Library has recently acquired a large number of UK domain websites, captured 1996–2010, which is colloquially termed the Dark Domain Archive while technical issues surrounding user access are resolved. This article reports the results of an invited pilot project that explores methodological issues surrounding use of this archive. It asks how the relationship between UK public health and local government was represented on the web, drawing on the ‘declinist’ historiography to frame its questions. It points up some difficulties in developing an aggregate picture of web content due to duplication of sites. It also highlights their potential for thematic and discourse analysis, using both text and image, illustrated through an argument about the contradictory rationale for public health policy under New Labour. PMID:26217072

  16. Use of Heuristics to Facilitate Scientific Discovery Learning in a Simulation Learning Environment in a Physics Domain

    Science.gov (United States)

    Veermans, Koen; van Joolingen, Wouter; de Jong, Ton

    2006-01-01

    This article describes a study into the role of heuristic support in facilitating discovery learning through simulation-based learning. The study compares the use of two such learning environments in the physics domain of collisions. In one learning environment (implicit heuristics) heuristics are only used to provide the learner with guidance…

  17. On using moving windows in finite element time domain simulation for long accelerator structures

    International Nuclear Information System (INIS)

    Lee, L.-Q.; Candel, Arno; Ng, Cho; Ko, Kwok

    2010-01-01

    A finite element moving window technique is developed to simulate the propagation of electromagnetic waves induced by the transit of a charged particle beam inside large and long structures. The window moving along with the beam in the computational domain adopts high-order finite element basis functions through p refinement and/or a high-resolution mesh through h refinement so that a sufficient accuracy is attained with substantially reduced computational costs. Algorithms to transfer discretized fields from one mesh to another, which are the keys to implementing a moving window in a finite element unstructured mesh, are presented. Numerical experiments are carried out using the moving window technique to compute short-range wakefields in long accelerator structures. The results are compared with those obtained from the normal finite element time domain (FETD) method and the advantages of using the moving window technique are discussed.

  18. Domain wall engineering through exchange bias

    International Nuclear Information System (INIS)

    Albisetti, E.; Petti, D.

    2016-01-01

    The control of the structure and position of magnetic domain walls is at the basis of the development of different magnetic devices and architectures. Several nanofabrication techniques have been proposed to geometrically confine and shape domain wall structures; however, a fine tuning of the position and micromagnetic configuration is hardly achieved, especially in continuous films. This work shows that, by controlling the unidirectional anisotropy of a continuous ferromagnetic film through exchange bias, domain walls whose spin arrangement is generally not favored by dipolar and exchange interactions can be created. Micromagnetic simulations reveal that the domain wall width, position and profile can be tuned by establishing an abrupt change in the direction and magnitude of the exchange bias field set in the system. - Highlights: • Micromagnetic simulations study domain walls in exchange biased thin films. • Novel domain wall configurations can be stabilized via exchange bias. • Domain walls nucleate at the boundary of regions with different exchange bias. • Domain wall width and spin profile are controlled by tuning the exchange bias.

  19. Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain

    Directory of Open Access Journals (Sweden)

    Hussain Abrar

    2011-11-01

    Full Text Available Abstract Background The Elk-1 transcription factor is a member of a group of proteins called ternary complex factors, which serve as a paradigm for gene regulation in response to extracellular signals. Its deregulation has been linked to multiple human diseases including the development of tumours. The work herein aims to inform the design of potential peptidomimetic compounds that can inhibit the formation of the Elk-1 dimer, which is key to Elk-1 stability. We have conducted molecular dynamics simulations of the Elk-1 ETS domain followed by virtual screening. Results We show the ETS dimerisation site undergoes conformational reorganisation at the α1β1 loop. Through exhaustive screening of di- and tri-peptide libraries against a collection of ETS domain conformations representing the dynamics of the loop, we identified a series of potential binders for the Elk-1 dimer interface. The di-peptides showed no particular preference toward the binding site; however, the tri-peptides made specific interactions with residues: Glu17, Gln18 and Arg49 that are pivotal to the dimer interface. Conclusions We have shown molecular dynamics simulations can be combined with virtual peptide screening to obtain an exhaustive docking protocol that incorporates dynamic fluctuations in a receptor. Based on our findings, we suggest experimental binding studies to be performed on the 12 SILE ranked tri-peptides as possible compounds for the design of inhibitors of Elk-1 dimerisation. It would also be reasonable to consider the score-ranked tri-peptides as a comparative test to establish whether peptide size is a determinant factor of binding to the ETS domain.

  20. Identification of Phytochemicals Targeting c-Met Kinase Domain using Consensus Docking and Molecular Dynamics Simulation Studies.

    Science.gov (United States)

    Aliebrahimi, Shima; Montasser Kouhsari, Shideh; Ostad, Seyed Nasser; Arab, Seyed Shahriar; Karami, Leila

    2018-06-01

    c-Met receptor tyrosine kinase is a proto-oncogene whose aberrant activation is attributed to a lower rate of survival in most cancers. Natural product-derived inhibitors known as "fourth generation inhibitors" constitute more than 60% of anticancer drugs. Furthermore, consensus docking approach has recently been introduced to augment docking accuracy and reduce false positives during a virtual screening. In order to obtain novel small-molecule Met inhibitors, consensus docking approach was performed using Autodock Vina and Autodock 4.2 to virtual screen Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database against active and inactive conformation of c-Met kinase domain structure. Two hit molecules that were in line with drug-likeness criteria, desired docking score, and binding pose were subjected to molecular dynamics simulations to elucidate intermolecular contacts in protein-ligand complexes. Analysis of molecular dynamics simulations and molecular mechanics Poisson-Boltzmann surface area studies showed that ZINC08234189 is a plausible inhibitor for the active state of c-Met, whereas ZINC03871891 may be more effective toward active c-Met kinase domain compared to the inactive form due to higher binding energy. Our analysis showed that both the hit molecules formed hydrogen bonds with key residues of the hinge region (P1158, M1160) in the active form, which is a hallmark of kinase domain inhibitors. Considering the pivotal role of HGF/c-Met signaling in carcinogenesis, our results propose ZINC08234189 and ZINC03871891 as the therapeutic options to surmount Met-dependent cancers.

  1. An analysis of millimetre-wave interferometry on Hall thruster plumes by finite difference time domain simulations

    International Nuclear Information System (INIS)

    Lee, Jungpyo; Cappelli, Mark A

    2008-01-01

    In this paper, we present finite difference time domain (FDTD) simulations of millimetre-wave propagation through the near-field plasma plume of low power Hall thrusters. The simulations are intended to address potential issues (collisions, magnetic fields) that may affect the validity of simple theory used for phase shift determination in the recent measurements of plasma density using microwave interferometry (Cappelli et al 2006 J. Phys. D: Appl. Phys. 39 4582). One-dimensional plane wave FDTD simulations indicate that plasma non-uniformities along the direction of wave propagation have only a minor effect on the phase shifts estimated from collisionless, non-magnetized wave propagation through a path-length averaged plasma slab. Three-dimensional FDTD simulations that also account for electron collisions and magnetic fields indicate that the departure from the use of usual simple models is no more than about 15%, well within the limits of uncertainty in the experimental measurements taken within the near field of these plasma sources

  2. Multi-Domain Modeling Based on Modelica

    Directory of Open Access Journals (Sweden)

    Liu Jun

    2016-01-01

    Full Text Available With the application of simulation technology in large-scale and multi-field problems, multi-domain unified modeling become an effective way to solve these problems. This paper introduces several basic methods and advantages of the multidisciplinary model, and focuses on the simulation based on Modelica language. The Modelica/Mworks is a newly developed simulation software with features of an object-oriented and non-casual language for modeling of the large, multi-domain system, which makes the model easier to grasp, develop and maintain.It This article shows the single degree of freedom mechanical vibration system based on Modelica language special connection mechanism in Mworks. This method that multi-domain modeling has simple and feasible, high reusability. it closer to the physical system, and many other advantages.

  3. Human experimental anxiety: actual public speaking induces more intense physiological responses than simulated public speaking.

    Science.gov (United States)

    Zuardi, Antonio Waldo; Crippa, José Alexandre de Souza; Hallak, Jaime Eduardo Cecílio; Gorayeb, Ricardo

    2013-01-01

    a) To perform a systematic and meta-analytic review to verify whether the Simulated Public Speaking Task (SPST) leads to a greater increase in self-rated anxiety than in physiological correlates of anxiety; and b) to compare the results obtained with the SPST with an actual public speaking task involving healthy volunteers. a) The PubMed and ISI Web of Knowledge databases were searched for studies involving the SPST prior to 2012. Eleven publications were eligible and provided data from 143 healthy volunteers for meta-analysis; b) 48 university students without somatic or psychiatric disorders were divided into three experimental groups of 16 subjects to undergo one of the following: SPST, real-world public speaking task (real-world), and control situation (control). The meta-analysis showed that the SPST induced a significant increase in the Visual Analogue Mood Scale (VAMS) anxiety factor, but no significant increases in systolic blood pressure or heart rate. The empirical study showed that the real-world public speaking task increased heart rate, systolic blood pressure and diastolic blood pressure significantly more than the control and SPST conditions. These results suggest that real public speaking might be better than SPST in inducing experimental anxiety.

  4. A parallel direct-forcing fictitious domain method for simulating microswimmers

    Science.gov (United States)

    Gao, Tong; Lin, Zhaowu

    2017-11-01

    We present a 3D parallel direct-forcing fictitious domain method for simulating swimming micro-organisms at small Reynolds numbers. We treat the motile micro-swimmers as spherical rigid particles using the ``Squirmer'' model. The particle dynamics are solved on the moving Larangian meshes that overlay upon a fixed Eulerian mesh for solving the fluid motion, and the momentum exchange between the two phases is resolved by distributing pseudo body-forces over the particle interior regions which constrain the background fictitious fluids to follow the particle movement. While the solid and fluid subproblems are solved separately, no inner-iterations are required to enforce numerical convergence. We demonstrate the accuracy and robustness of the method by comparing our results with the existing analytical and numerical studies for various cases of single particle dynamics and particle-particle interactions. We also perform a series of numerical explorations to obtain statistical and rheological measurements to characterize the dynamics and structures of Squirmer suspensions. NSF DMS 1619960.

  5. Numerical simulation of electromagnetic waves in Schwarzschild space-time by finite difference time domain method and Green function method

    Science.gov (United States)

    Jia, Shouqing; La, Dongsheng; Ma, Xuelian

    2018-04-01

    The finite difference time domain (FDTD) algorithm and Green function algorithm are implemented into the numerical simulation of electromagnetic waves in Schwarzschild space-time. FDTD method in curved space-time is developed by filling the flat space-time with an equivalent medium. Green function in curved space-time is obtained by solving transport equations. Simulation results validate both the FDTD code and Green function code. The methods developed in this paper offer a tool to solve electromagnetic scattering problems.

  6. Simulation Gaming as a Social Development Instrument : Dealing with Complex Problems

    NARCIS (Netherlands)

    Klievink, B.; Janssen, M.

    Improving public service delivery is a very complex domain and the complexity is difficult to grasp by stakeholders having various degree of knowledge and involvement. An emergent and promising method for dealing with complex problems is simulation gaming, which can be used to capitalize the

  7. Public Engagement Through Shared Immersion: Participating in the Processes of Research.

    Science.gov (United States)

    Tang, Jessica Janice; Maroothynaden, Jason; Bello, Fernando; Kneebone, Roger

    2013-10-01

    Recently, the literature has emphasized the aims and logistics of public engagement, rather than its epistemic and cultural processes. In this conceptual article, we use our work on surgical simulation to describe a process that has moved from the classroom and the research laboratory into the public sphere. We propose an innovative shared immersion model for framing the relationship between engagement activities and research. Our model thus frames the public engagement experience as a participative encounter, which brings visitor and researcher together in a shared (surgical) experience mediated by experts from a range of domains.

  8. DAE emergency response centre (ERC) at Kalpakkam for response to nuclear and radiological emergencies in public domain

    International Nuclear Information System (INIS)

    Meenakshisundaram, V.; Rajagopal, V.; Mathiyarasu, R.; Subramanian, V.; Rajaram, S.; Somayaji, K.M.; Kannan, V.; Rajagopalan, H.

    2008-01-01

    In India, Department of Atomic Energy (DAE) has been identified as the nodal agency/authority in respect of providing the necessary technical inputs in the event of any radiation emergency that may occur in public domain. The overall system takes into consideration statutory requirements, executive decisions as well as National and International obligations. This paper highlights the details about the strength of the Kalpakkam ERC and other essential requisites and their compliance since its formation

  9. Tomographic reconstruction of melanin structures of optical coherence tomography via the finite-difference time-domain simulation

    Science.gov (United States)

    Huang, Shi-Hao; Wang, Shiang-Jiu; Tseng, Snow H.

    2015-03-01

    Optical coherence tomography (OCT) provides high resolution, cross-sectional image of internal microstructure of biological tissue. We use the Finite-Difference Time-Domain method (FDTD) to analyze the data acquired by OCT, which can help us reconstruct the refractive index of the biological tissue. We calculate the refractive index tomography and try to match the simulation with the data acquired by OCT. Specifically, we try to reconstruct the structure of melanin, which has complex refractive indices and is the key component of human pigment system. The results indicate that better reconstruction can be achieved for homogenous sample, whereas the reconstruction is degraded for samples with fine structure or with complex interface. Simulation reconstruction shows structures of the Melanin that may be useful for biomedical optics applications.

  10. Combining numerical simulations with time-domain random walk for pathogen risk assessment in groundwater

    Science.gov (United States)

    Cvetkovic, V.; Molin, S.

    2012-02-01

    We present a methodology that combines numerical simulations of groundwater flow and advective transport in heterogeneous porous media with analytical retention models for computing the infection risk probability from pathogens in aquifers. The methodology is based on the analytical results presented in [1,2] for utilising the colloid filtration theory in a time-domain random walk framework. It is shown that in uniform flow, the results from the numerical simulations of advection yield comparable results as the analytical TDRW model for generating advection segments. It is shown that spatial variability of the attachment rate may be significant, however, it appears to affect risk in a different manner depending on if the flow is uniform or radially converging. In spite of the fact that numerous issues remain open regarding pathogen transport in aquifers on the field scale, the methodology presented here may be useful for screening purposes, and may also serve as a basis for future studies that would include greater complexity.

  11. Thermal Loss of High-Q Antennas in Time Domain vs. Frequency Domain Solver

    DEFF Research Database (Denmark)

    Bahramzy, Pevand; Pedersen, Gert Frølund

    2014-01-01

    High-Q structures pose great challenges to their loss simulations in Time Domain Solvers (TDS). Therefore, in this work the thermal loss of high-Q antennas is calculated both in TDS and Frequency Domain Solver (FDS), which are then compared with each other and with the actual measurements....... The thermal loss calculation in FDS is shown to be more accurate for high-Q antennas....

  12. FluTE, a publicly available stochastic influenza epidemic simulation model.

    Directory of Open Access Journals (Sweden)

    Dennis L Chao

    2010-01-01

    Full Text Available Mathematical and computer models of epidemics have contributed to our understanding of the spread of infectious disease and the measures needed to contain or mitigate them. To help prepare for future influenza seasonal epidemics or pandemics, we developed a new stochastic model of the spread of influenza across a large population. Individuals in this model have realistic social contact networks, and transmission and infections are based on the current state of knowledge of the natural history of influenza. The model has been calibrated so that outcomes are consistent with the 1957/1958 Asian A(H2N2 and 2009 pandemic A(H1N1 influenza viruses. We present examples of how this model can be used to study the dynamics of influenza epidemics in the United States and simulate how to mitigate or delay them using pharmaceutical interventions and social distancing measures. Computer simulation models play an essential role in informing public policy and evaluating pandemic preparedness plans. We have made the source code of this model publicly available to encourage its use and further development.

  13. FluTE, a publicly available stochastic influenza epidemic simulation model.

    Science.gov (United States)

    Chao, Dennis L; Halloran, M Elizabeth; Obenchain, Valerie J; Longini, Ira M

    2010-01-29

    Mathematical and computer models of epidemics have contributed to our understanding of the spread of infectious disease and the measures needed to contain or mitigate them. To help prepare for future influenza seasonal epidemics or pandemics, we developed a new stochastic model of the spread of influenza across a large population. Individuals in this model have realistic social contact networks, and transmission and infections are based on the current state of knowledge of the natural history of influenza. The model has been calibrated so that outcomes are consistent with the 1957/1958 Asian A(H2N2) and 2009 pandemic A(H1N1) influenza viruses. We present examples of how this model can be used to study the dynamics of influenza epidemics in the United States and simulate how to mitigate or delay them using pharmaceutical interventions and social distancing measures. Computer simulation models play an essential role in informing public policy and evaluating pandemic preparedness plans. We have made the source code of this model publicly available to encourage its use and further development.

  14. Molecular dynamics simulations of site point mutations in the TPR domain of cyclophilin 40 identify conformational states with distinct dynamic and enzymatic properties

    Science.gov (United States)

    Gur, Mert; Blackburn, Elizabeth A.; Ning, Jia; Narayan, Vikram; Ball, Kathryn L.; Walkinshaw, Malcolm D.; Erman, Burak

    2018-04-01

    Cyclophilin 40 (Cyp40) is a member of the immunophilin family that acts as a peptidyl-prolyl-isomerase enzyme and binds to the heat shock protein 90 (Hsp90). Its structure comprises an N-terminal cyclophilin domain and a C-terminal tetratricopeptide (TPR) domain. Cyp40 is overexpressed in prostate cancer and certain T-cell lymphomas. The groove for Hsp90 binding on the TPR domain includes residues Lys227 and Lys308, referred to as the carboxylate clamp, and is essential for Cyp40-Hsp90 binding. In this study, the effect of two mutations, K227A and K308A, and their combinative mutant was investigated by performing a total of 5.76 μs of all-atom molecular dynamics (MD) simulations in explicit solvent. All simulations, except the K308A mutant, were found to adopt two distinct (extended or compact) conformers defined by different cyclophilin-TPR interdomain distances. The K308A mutant was only observed in the extended form which is observed in the Cyp40 X-ray structure. The wild-type, K227A, and combined mutant also showed bimodal distributions. The experimental melting temperature, Tm, values of the mutants correlate with the degree of compactness with the K308A extended mutant having a marginally lower melting temperature. Another novel measure of compactness determined from the MD data, the "coordination shell volume," also shows a direct correlation with Tm. In addition, the MD simulations show an allosteric effect with the mutations in the remote TPR domain having a pronounced effect on the molecular motions of the enzymatic cyclophilin domain which helps rationalise the experimentally observed increase in enzyme activity measured for all three mutations.

  15. Numerical simulation and characterization of trapping noise in InGaP-GaAs heterojunctions devices at high injection

    Science.gov (United States)

    Nallatamby, Jean-Christophe; Abdelhadi, Khaled; Jacquet, Jean-Claude; Prigent, Michel; Floriot, Didier; Delage, Sylvain; Obregon, Juan

    2013-03-01

    Commercially available simulators present considerable advantages in performing accurate DC, AC and transient simulations of semiconductor devices, including many fundamental and parasitic effects which are not generally taken into account in house-made simulators. Nevertheless, while the TCAD simulators of the public domain we have tested give accurate results for the simulation of diffusion noise, none of the tested simulators perform trap-assisted GR noise accurately. In order to overcome the aforementioned problem we propose a robust solution to accurately simulate GR noise due to traps. It is based on numerical processing of the output data of one of the simulators available in the public-domain, namely SENTAURUS (from Synopsys). We have linked together, through a dedicated Data Access Component (DAC), the deterministic output data available from SENTAURUS and a powerful, customizable post-processing tool developed on the mathematical SCILAB software package. Thus, robust simulations of GR noise in semiconductor devices can be performed by using GR Langevin sources associated to the scalar Green functions responses of the device. Our method takes advantage of the accuracy of the deterministic simulations of electronic devices obtained with SENTAURUS. A Comparison between 2-D simulations and measurements of low frequency noise on InGaP-GaAs heterojunctions, at low as well as high injection levels, demonstrates the validity of the proposed simulation tool.

  16. New Inversion and Interpretation of Public-Domain Electromagnetic Survey Data from Selected Areas in Alaska

    Science.gov (United States)

    Smith, B. D.; Kass, A.; Saltus, R. W.; Minsley, B. J.; Deszcz-Pan, M.; Bloss, B. R.; Burns, L. E.

    2013-12-01

    Public-domain airborne geophysical surveys (combined electromagnetics and magnetics), mostly collected for and released by the State of Alaska, Division of Geological and Geophysical Surveys (DGGS), are a unique and valuable resource for both geologic interpretation and geophysical methods development. A new joint effort by the US Geological Survey (USGS) and the DGGS aims to add value to these data through the application of novel advanced inversion methods and through innovative and intuitive display of data: maps, profiles, voxel-based models, and displays of estimated inversion quality and confidence. Our goal is to make these data even more valuable for interpretation of geologic frameworks, geotechnical studies, and cryosphere studies, by producing robust estimates of subsurface resistivity that can be used by non-geophysicists. The available datasets, which are available in the public domain, include 39 frequency-domain electromagnetic datasets collected since 1993, and continue to grow with 5 more data releases pending in 2013. The majority of these datasets were flown for mineral resource purposes, with one survey designed for infrastructure analysis. In addition, several USGS datasets are included in this study. The USGS has recently developed new inversion methodologies for airborne EM data and have begun to apply these and other new techniques to the available datasets. These include a trans-dimensional Markov Chain Monte Carlo technique, laterally-constrained regularized inversions, and deterministic inversions which include calibration factors as a free parameter. Incorporation of the magnetic data as an additional constraining dataset has also improved the inversion results. Processing has been completed in several areas, including Fortymile and the Alaska Highway surveys, and continues in others such as the Styx River and Nome surveys. Utilizing these new techniques, we provide models beyond the apparent resistivity maps supplied by the original

  17. Sources and Resources Into the Dark Domain: The UK Web Archive as a Source for the Contemporary History of Public Health.

    Science.gov (United States)

    Gorsky, Martin

    2015-08-01

    With the migration of the written record from paper to digital format, archivists and historians must urgently consider how web content should be conserved, retrieved and analysed. The British Library has recently acquired a large number of UK domain websites, captured 1996-2010, which is colloquially termed the Dark Domain Archive while technical issues surrounding user access are resolved. This article reports the results of an invited pilot project that explores methodological issues surrounding use of this archive. It asks how the relationship between UK public health and local government was represented on the web, drawing on the 'declinist' historiography to frame its questions. It points up some difficulties in developing an aggregate picture of web content due to duplication of sites. It also highlights their potential for thematic and discourse analysis, using both text and image, illustrated through an argument about the contradictory rationale for public health policy under New Labour.

  18. Understanding and simulating the link between African easterly waves and Atlantic tropical cyclones using a regional climate model: the role of domain size and lateral boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Caron, Louis-Philippe [MISU, Stockholm University, Stockholm (Sweden); Universite du Quebec a Montreal, CRCMD Network, Montreal, QC (Canada); Jones, Colin G. [Swedish Meterological and Hydrological Institute, Rossby Center, Norrkoeping (Sweden)

    2012-07-15

    Using a suite of lateral boundary conditions, we investigate the impact of domain size and boundary conditions on the Atlantic tropical cyclone and african easterly Wave activity simulated by a regional climate model. Irrespective of boundary conditions, simulations closest to observed climatology are obtained using a domain covering both the entire tropical Atlantic and northern African region. There is a clear degradation when the high-resolution model domain is diminished to cover only part of the African continent or only the tropical Atlantic. This is found to be the result of biases in the boundary data, which for the smaller domains, have a large impact on TC activity. In this series of simulations, the large-scale Atlantic atmospheric environment appears to be the primary control on simulated TC activity. Weaker wave activity is usually accompanied by a shift in cyclogenesis location, from the MDR to the subtropics. All ERA40-driven integrations manage to capture the observed interannual variability and to reproduce most of the upward trend in tropical cyclone activity observed during that period. When driven by low-resolution global climate model (GCM) integrations, the regional climate model captures interannual variability (albeit with lower correlation coefficients) only if tropical cyclones form in sufficient numbers in the main development region. However, all GCM-driven integrations fail to capture the upward trend in Atlantic tropical cyclone activity. In most integrations, variations in Atlantic tropical cyclone activity appear uncorrelated with variations in African easterly wave activity. (orig.)

  19. An Entropy Approach to Disclosure Risk Assessment: Lessons from Real Applications and Simulated Domains

    Science.gov (United States)

    Airoldi, Edoardo M.; Bai, Xue; Malin, Bradley A.

    2011-01-01

    We live in an increasingly mobile world, which leads to the duplication of information across domains. Though organizations attempt to obscure the identities of their constituents when sharing information for worthwhile purposes, such as basic research, the uncoordinated nature of such environment can lead to privacy vulnerabilities. For instance, disparate healthcare providers can collect information on the same patient. Federal policy requires that such providers share “de-identified” sensitive data, such as biomedical (e.g., clinical and genomic) records. But at the same time, such providers can share identified information, devoid of sensitive biomedical data, for administrative functions. On a provider-by-provider basis, the biomedical and identified records appear unrelated, however, links can be established when multiple providers’ databases are studied jointly. The problem, known as trail disclosure, is a generalized phenomenon and occurs because an individual’s location access pattern can be matched across the shared databases. Due to technical and legal constraints, it is often difficult to coordinate between providers and thus it is critical to assess the disclosure risk in distributed environments, so that we can develop techniques to mitigate such risks. Research on privacy protection has so far focused on developing technologies to suppress or encrypt identifiers associated with sensitive information. There is growing body of work on the formal assessment of the disclosure risk of database entries in publicly shared databases, but a less attention has been paid to the distributed setting. In this research, we review the trail disclosure problem in several domains with known vulnerabilities and show that disclosure risk is influenced by the distribution of how people visit service providers. Based on empirical evidence, we propose an entropy metric for assessing such risk in shared databases prior to their release. This metric assesses risk by

  20. Eulerian Time-Domain Filtering for Spatial LES

    Science.gov (United States)

    Pruett, C. David

    1997-01-01

    Eulerian time-domain filtering seems to be appropriate for LES (large eddy simulation) of flows whose large coherent structures convect approximately at a common characteristic velocity; e.g., mixing layers, jets, and wakes. For these flows, we develop an approach to LES based on an explicit second-order digital Butterworth filter, which is applied in,the time domain in an Eulerian context. The approach is validated through a priori and a posteriori analyses of the simulated flow of a heated, subsonic, axisymmetric jet.

  1. Cellulase linkers are optimized based on domain type and function: insights from sequence analysis, biophysical measurements, and molecular simulation.

    Directory of Open Access Journals (Sweden)

    Deanne W Sammond

    Full Text Available Cellulase enzymes deconstruct cellulose to glucose, and are often comprised of glycosylated linkers connecting glycoside hydrolases (GHs to carbohydrate-binding modules (CBMs. Although linker modifications can alter cellulase activity, the functional role of linkers beyond domain connectivity remains unknown. Here we investigate cellulase linkers connecting GH Family 6 or 7 catalytic domains to Family 1 or 2 CBMs, from both bacterial and eukaryotic cellulases to identify conserved characteristics potentially related to function. Sequence analysis suggests that the linker lengths between structured domains are optimized based on the GH domain and CBM type, such that linker length may be important for activity. Longer linkers are observed in eukaryotic GH Family 6 cellulases compared to GH Family 7 cellulases. Bacterial GH Family 6 cellulases are found with structured domains in either N to C terminal order, and similar linker lengths suggest there is no effect of domain order on length. O-glycosylation is uniformly distributed across linkers, suggesting that glycans are required along entire linker lengths for proteolysis protection and, as suggested by simulation, for extension. Sequence comparisons show that proline content for bacterial linkers is more than double that observed in eukaryotic linkers, but with fewer putative O-glycan sites, suggesting alternative methods for extension. Conversely, near linker termini where linkers connect to structured domains, O-glycosylation sites are observed less frequently, whereas glycines are more prevalent, suggesting the need for flexibility to achieve proper domain orientations. Putative N-glycosylation sites are quite rare in cellulase linkers, while an N-P motif, which strongly disfavors the attachment of N-glycans, is commonly observed. These results suggest that linkers exhibit features that are likely tailored for optimal function, despite possessing low sequence identity. This study suggests

  2. Modeling and Simulation of Voids in Composite Tape Winding Process Based on Domain Superposition Technique

    Science.gov (United States)

    Deng, Bo; Shi, Yaoyao

    2017-11-01

    The tape winding technology is an effective way to fabricate rotationally composite materials. Nevertheless, some inevitable defects will seriously influence the performance of winding products. One of the crucial ways to identify the quality of fiber-reinforced composite material products is examining its void content. Significant improvement in products' mechanical properties can be achieved by minimizing the void defect. Two methods were applied in this study, finite element analysis and experimental testing, respectively, to investigate the mechanism of how void forming in composite tape winding processing. Based on the theories of interlayer intimate contact and Domain Superposition Technique (DST), a three-dimensional model of prepreg tape void with SolidWorks has been modeled in this paper. Whereafter, ABAQUS simulation software was used to simulate the void content change with pressure and temperature. Finally, a series of experiments were performed to determine the accuracy of the model-based predictions. The results showed that the model is effective for predicting the void content in the composite tape winding process.

  3. Time domain analog circuit simulation

    NARCIS (Netherlands)

    Fijnvandraat, J.G.; Houben, S.H.M.J.; Maten, ter E.J.W.; Peters, J.M.F.

    2006-01-01

    Recent developments of new methods for simulating electric circuits are described. Emphasis is put on methods that fit existing datastructures for backward differentiation formulae methods. These methods can be modified to apply to hierarchically organized datastructures, which allows for efficient

  4. Time domain simulation of the response of geometrically nonlinear panels subjected to random loading

    Science.gov (United States)

    Moyer, E. Thomas, Jr.

    1988-01-01

    The response of composite panels subjected to random pressure loads large enough to cause geometrically nonlinear responses is studied. A time domain simulation is employed to solve the equations of motion. An adaptive time stepping algorithm is employed to minimize intermittent transients. A modified algorithm for the prediction of response spectral density is presented which predicts smooth spectral peaks for discrete time histories. Results are presented for a number of input pressure levels and damping coefficients. Response distributions are calculated and compared with the analytical solution of the Fokker-Planck equations. RMS response is reported as a function of input pressure level and damping coefficient. Spectral densities are calculated for a number of examples.

  5. Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review

    Directory of Open Access Journals (Sweden)

    Jianyi Liu

    2014-09-01

    Full Text Available This review covers methods and recent developments of the theoretical study of domain structures in ultrathin ferroelectric films. The review begins with an introduction to some basic concepts and theories (e.g., polarization and its modern theory, ferroelectric phase transition, domain formation, and finite size effects, etc. that are relevant to the study of domain structures in ultrathin ferroelectric films. Basic techniques and recent progress of a variety of important approaches for domain structure simulation, including first-principles calculation, molecular dynamics, Monte Carlo simulation, effective Hamiltonian approach and phase field modeling, as well as multiscale simulation are then elaborated. For each approach, its important features and relative merits over other approaches for modeling domain structures in ultrathin ferroelectric films are discussed. Finally, we review recent theoretical studies on some important issues of domain structures in ultrathin ferroelectric films, with an emphasis on the effects of interfacial electrostatics, boundary conditions and external loads.

  6. Finite-difference time-domain simulation of electromagnetic bandgap and bi-anisotropic metamaterials

    Science.gov (United States)

    Bray, Matthew G.

    The term "Metamaterial" has been introduced into the electromagnetic lexicon in recent years to describe new artificial materials with electromagnetic properties that are not found in naturally occurring materials. Metamaterials exhibit electromagnetic properties that are not observed in its constituent materials, and/or not observed in nature. This thesis will analyze two different classes of metamaterials through the use of the finite-difference time-domain (FDTD) technique. The first class of metamaterials are artificial magnetic conductors (AMC) which approximate the behavior of a perfect magnetic conductor (PMC) over a finite frequency range. The AMC metamaterials are created through the use of an electromagnetic bandgap (EBG) structure. A periodic FDTD code is used to simulate a full-wave model of the metallodielectric EBG structures. The AMCs developed with the aid of the FDTD tool are then used to create low-profile antenna systems consisting of a dipole antenna in close proximity to an AMC surface. Through the use of this FDTD tool, several original contributions were made to the electromagnetic community. These include the first dual-band independently tunable EBG AMC ground plane and the first linearly polarized single-band and dual-band tunable antenna/EBG systems. The second class of materials analyzed are bi-anisotropic metamaterials. Bi-anisotropic media are the largest class of linear media which is able to describe the macroscopic material properties of artificial dielectrics, artificial magnetics, artificial chiral materials, left-handed materials, and other composite materials. The dispersive properties of these materials can be approximated by the oscillator model. This model assumes a Lorentzian frequency profile for the permittivity and permeability and a Condon model for chirality. A new FDTD formulation is introduced which can simulate this type of bi-anisotropic media. This FDTD method incorporates the dispersive material properties through

  7. Calibration of TAMA300 in time domain

    International Nuclear Information System (INIS)

    Telada, Souichi; Tatsumi, Daisuke; Akutsu, Tomomi; Ando, Masaki; Kanda, Nobuyuki

    2005-01-01

    We could reconstruct the strain of gravitational wave signals from acquired data in the time domain by using the infinite impulse response filter technique in TAMA300. We would like to analyse the waveform in the time domain for burst-like signal, merger phase waveform of binary neutron stars, and so on. We established the way to make a continuous time-series gravitational wave strain signal. We compared the time-domain reconstruction with the Fourier-space reconstruction. Both coincided within 3% in the observation range. We could also produce the voltage signal which would be recorded by the data-acquisition system from a simulated gravitational wave. This is useful for some analyses of simulations and signal injections. We could extract the waveform of the hardware injection signal in an observational run in the time domain. The extracted waveform was similar to the injection signal

  8. Time-domain simulations for metallic nano-structures - a Krylov-subspace approach beyond the limitations of FDTD

    Energy Technology Data Exchange (ETDEWEB)

    Koenig, Michael [Institut fuer Theoretische Festkoerperphysik, Universitaet Karlsruhe (Germany); Karlsruhe School of Optics and Photonics (KSOP), Universitaet Karlsruhe (Germany); Niegemann, Jens; Tkeshelashvili, Lasha; Busch, Kurt [Institut fuer Theoretische Festkoerperphysik, Universitaet Karlsruhe (Germany); DFG Forschungszentrum Center for Functional Nanostructures (CFN), Universitaet Karlsruhe (Germany); Karlsruhe School of Optics and Photonics (KSOP), Universitaet Karlsruhe (Germany)

    2008-07-01

    Numerical simulations of metallic nano-structures are crucial for the efficient design of plasmonic devices. Conventional time-domain solvers such as FDTD introduce large numerical errors especially at metallic surfaces. Our approach combines a discontinuous Galerkin method on an adaptive mesh for the spatial discretisation with a Krylov-subspace technique for the time-stepping procedure. Thus, the higher-order accuracy in both time and space is supported by unconditional stability. As illustrative examples, we compare numerical results obtained with our method against analytical reference solutions and results from FDTD calculations.

  9. Contribution of domain wall networks to the CMB power spectrum

    International Nuclear Information System (INIS)

    Lazanu, A.; Martins, C.J.A.P.; Shellard, E.P.S.

    2015-01-01

    We use three domain wall simulations from the radiation era to the late-time dark energy domination era based on the PRS algorithm to calculate the energy–momentum tensor components of domain wall networks in an expanding universe. Unequal time correlators in the radiation, matter and cosmological constant epochs are calculated using the scaling regime of each of the simulations. The CMB power spectrum of a network of domain walls is determined. The first ever quantitative constraint for the domain wall surface tension is obtained using a Markov chain Monte Carlo method; an energy scale of domain walls of 0.93 MeV, which is close but below the Zel'dovich bound, is determined

  10. Contribution of domain wall networks to the CMB power spectrum

    Energy Technology Data Exchange (ETDEWEB)

    Lazanu, A., E-mail: A.Lazanu@damtp.cam.ac.uk [Centre for Theoretical Cosmology, Department of Applied Mathematics and Theoretical Physics, Wilberforce Road, Cambridge CB3 0WA (United Kingdom); Martins, C.J.A.P., E-mail: Carlos.Martins@astro.up.pt [Centro de Astrofísica, Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal); Instituto de Astrofísica e Ciências do Espaço, CAUP, Rua das Estrelas, 4150-762 Porto (Portugal); Shellard, E.P.S., E-mail: E.P.S.Shellard@damtp.cam.ac.uk [Centre for Theoretical Cosmology, Department of Applied Mathematics and Theoretical Physics, Wilberforce Road, Cambridge CB3 0WA (United Kingdom)

    2015-07-30

    We use three domain wall simulations from the radiation era to the late-time dark energy domination era based on the PRS algorithm to calculate the energy–momentum tensor components of domain wall networks in an expanding universe. Unequal time correlators in the radiation, matter and cosmological constant epochs are calculated using the scaling regime of each of the simulations. The CMB power spectrum of a network of domain walls is determined. The first ever quantitative constraint for the domain wall surface tension is obtained using a Markov chain Monte Carlo method; an energy scale of domain walls of 0.93 MeV, which is close but below the Zel'dovich bound, is determined.

  11. Contribution of domain wall networks to the CMB power spectrum

    Directory of Open Access Journals (Sweden)

    A. Lazanu

    2015-07-01

    Full Text Available We use three domain wall simulations from the radiation era to the late-time dark energy domination era based on the PRS algorithm to calculate the energy–momentum tensor components of domain wall networks in an expanding universe. Unequal time correlators in the radiation, matter and cosmological constant epochs are calculated using the scaling regime of each of the simulations. The CMB power spectrum of a network of domain walls is determined. The first ever quantitative constraint for the domain wall surface tension is obtained using a Markov chain Monte Carlo method; an energy scale of domain walls of 0.93 MeV, which is close but below the Zel'dovich bound, is determined.

  12. Domain walls in the extensions of the Standard Model

    Science.gov (United States)

    Krajewski, Tomasz; Lalak, Zygmunt; Lewicki, Marek; Olszewski, Paweł

    2018-05-01

    Our main interest is the evolution of domain walls of the Higgs field in the early Universe. The aim of this paper is to understand how dynamics of Higgs domain walls could be influenced by yet unknown interactions from beyond the Standard Model. We assume that the Standard Model is valid up to certain, high, energy scale Λ and use the framework of the effective field theory to describe physics below that scale. Performing numerical simulations with different values of the scale Λ we are able to extend our previous analysis [1]. Our recent numerical simulations show that evolution of Higgs domain walls is rather insensitive to interactions beyond the Standard Model as long as masses of new particles are grater than 1012 GeV. For lower values of Λ the RG improved effective potential is strongly modified at field strengths crucial to the evolution of domain walls. However, we find that even for low values of Λ, Higgs domain walls decayed shortly after their formation for generic initial conditions. On the other hand, in simulations with specifically chosen initial conditions Higgs domain walls can live longer and enter the scaling regime. We also determine the energy spectrum of gravitational waves produced by decaying domain walls of the Higgs field. For generic initial field configurations the amplitude of the signal is too small to be observed in planned detectors.

  13. Time domain simulations of beam-loading

    International Nuclear Information System (INIS)

    Koscielniak, S.

    1989-09-01

    We present the results of computer simulations of high current beam loading in a proton storage ring. The model integrates the differential equation for gap voltage, and iterates the difference equations for particle longitudinal motion. The effects of cavity fields on the bunch shape and of the fundamental component of the beam on the cavity are treated in a self-consistent manner. The simulation model is applied to verify the dipole-quadrupole hybrid Robinson instability criterion, which differs from the dipole-mode criterion

  14. Features of a time domain simulation tool for rigid riser design

    Energy Technology Data Exchange (ETDEWEB)

    Morooka, Celso K.; Brandt, Dustin M. [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Faculdade de Engenharia Mecanica. Dept. de Engenharia de Petroleo; Matt, Cyntia G.C.; Franciss, Ricardo [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil). Centro de Pesquisas

    2008-07-01

    This paper present a number of numerical implementations designed for the analysis of rigid riser's static and dynamic behavior that includes the effects of vortex induced vibrations (VIV) and marine hydrodynamic loads in time domain. Features include the ability to consider pipe with a free-span utilizing a soil/riser interaction model. An implementation of a numerical coupling scheme to couple the vertical riser and platform dynamics was developed to allow prediction of the sub sea Blow-Out Preventer (BOP) re-entry into a sub sea petroleum well when drilling different phases of deep and ultra-deep wells. The developments contains support for the consideration of the Self Standing Hybrid Riser (SSHR) configuration which has been shown to be a promising riser configuration in deep and ultra-deep waters. A graphical interface was also created to better grasp the results and aid in the modeling, processing and to help analyze the numerical simulations, contributing to enhance agility and quality of the riser design and analysis processes. (author)

  15. Towards Domain-specific Flow-based Languages

    DEFF Research Database (Denmark)

    Zarrin, Bahram; Baumeister, Hubert; Sarjoughian, Hessam S.

    2018-01-01

    describe their problems and solutions, instead of using general purpose programming languages. The goal of these languages is to improve the productivity and efficiency of the development and simulation of concurrent scientific models and systems. Moreover, they help to expose parallelism and to specify...... the concurrency within a component or across different independent components. In this paper, we introduce the concept of domain-specific flowbased languages which allows domain experts to use flow-based languages adapted to a particular problem domain. Flow-based programming is used to support concurrency, while......Due to the significant growth of the demand for data-intensive computing, in addition to the emergence of new parallel and distributed computing technologies, scientists and domain experts are leveraging languages specialized for their problem domain, i.e., domain-specific languages, to help them...

  16. Molecular dynamics simulations of Hsp40 J-domain mutants identifies disruption of the critical HPD-motif as the key factor for impaired curing in vivo of the yeast prion [URE3].

    Science.gov (United States)

    Xue, You-Lin; Wang, Hao; Riedy, Michael; Roberts, Brittany-Lee; Sun, Yuna; Song, Yong-Bo; Jones, Gary W; Masison, Daniel C; Song, Youtao

    2018-05-01

    Genetic screens using Saccharomyces cerevisiae have identified an array of Hsp40 (Ydj1p) J-domain mutants that are impaired in the ability to cure the yeast [URE3] prion through disrupting functional interactions with Hsp70. However, biochemical analysis of some of these Hsp40 J-domain mutants has so far failed to provide major insight into the specific functional changes in Hsp40-Hsp70 interactions. To explore the detailed structural and dynamic properties of the Hsp40 J-domain, 20 ns molecular dynamic simulations of 4 mutants (D9A, D36A, A30T, and F45S) and wild-type J-domain were performed, followed by Hsp70 docking simulations. Results demonstrated that although the Hsp70 interaction mechanism of the mutants may vary, the major structural change was targeted to the critical HPD motif of the J-domain. Our computational analysis fits well with previous yeast genetics studies regarding highlighting the importance of J-domain function in prion propagation. During the molecular dynamics simulations several important residues were identified and predicted to play an essential role in J-domain structure. Among these residues, Y26 and F45 were confirmed, using both in silico and in vivo methods, as being critical for Ydj1p function.

  17. iTesla Power Systems Library (iPSL): A Modelica library for phasor time-domain simulations

    Science.gov (United States)

    Vanfretti, L.; Rabuzin, T.; Baudette, M.; Murad, M.

    The iTesla Power Systems Library (iPSL) is a Modelica package providing a set of power system components for phasor time-domain modeling and simulation. The Modelica language provides a systematic approach to develop models using a formal mathematical description, that uniquely specifies the physical behavior of a component or the entire system. Furthermore, the standardized specification of the Modelica language (Modelica Association [1]) enables unambiguous model exchange by allowing any Modelica-compliant tool to utilize the models for simulation and their analyses without the need of a specific model transformation tool. As the Modelica language is being developed with open specifications, any tool that implements these requirements can be utilized. This gives users the freedom of choosing an Integrated Development Environment (IDE) of their choice. Furthermore, any integration solver can be implemented within a Modelica tool to simulate Modelica models. Additionally, Modelica is an object-oriented language, enabling code factorization and model re-use to improve the readability of a library by structuring it with object-oriented hierarchy. The developed library is released under an open source license to enable a wider distribution and let the user customize it to their specific needs. This paper describes the iPSL and provides illustrative application examples.

  18. User interfaces for computational science: A domain specific language for OOMMF embedded in Python

    Science.gov (United States)

    Beg, Marijan; Pepper, Ryan A.; Fangohr, Hans

    2017-05-01

    Computer simulations are used widely across the engineering and science disciplines, including in the research and development of magnetic devices using computational micromagnetics. In this work, we identify and review different approaches to configuring simulation runs: (i) the re-compilation of source code, (ii) the use of configuration files, (iii) the graphical user interface, and (iv) embedding the simulation specification in an existing programming language to express the computational problem. We identify the advantages and disadvantages of different approaches and discuss their implications on effectiveness and reproducibility of computational studies and results. Following on from this, we design and describe a domain specific language for micromagnetics that is embedded in the Python language, and allows users to define the micromagnetic simulations they want to carry out in a flexible way. We have implemented this micromagnetic simulation description language together with a computational backend that executes the simulation task using the Object Oriented MicroMagnetic Framework (OOMMF). We illustrate the use of this Python interface for OOMMF by solving the micromagnetic standard problem 4. All the code is publicly available and is open source.

  19. Breaking News: Utilizing Video Simulations to Improve Educational Leaders' Public Speaking Skills

    Science.gov (United States)

    Friend, Jennifer; Adams, April; Curry, George

    2011-01-01

    This article examines specific uses of video simulations in one educational leadership preparation program to advance future school and district leaders' skills related to public speaking and participation in televised news interviews. One faculty member and two advanced educational leadership candidates share their perspectives of several…

  20. Scaling properties of domain wall networks

    International Nuclear Information System (INIS)

    Leite, A. M. M.; Martins, C. J. A. P.

    2011-01-01

    We revisit the cosmological evolution of domain wall networks, taking advantage of recent improvements in computing power. We carry out high-resolution field theory simulations in two, three and four spatial dimensions to study the effects of dimensionality and damping on the evolution of the network. Our results are consistent with the expected scale-invariant evolution of the network, which suggests that previous hints of deviations from this behavior may have been due to the limited dynamical range of those simulations. We also use the results of very large (1024 3 ) simulations in three cosmological epochs to provide a calibration for the velocity-dependent one-scale model for domain walls: we numerically determine the two free model parameters to have the values c w =0.5±0.2 and k w =1.1±0.3.

  1. Shapes of isolated domains and field induced evolution of regular and random 2D domain structures in LiNbO3 and LiTaO3

    International Nuclear Information System (INIS)

    Chernykh, A.; Shur, V.; Nikolaeva, E.; Shishkin, E.; Shur, A.; Terabe, K.; Kurimura, S.; Kitamura, K.; Gallo, K.

    2005-01-01

    The variety of the shapes of isolated domains, revealed in congruent and stoichiometric LiTaO 3 and LiNbO 3 by chemical etching and visualized by optical and scanning probe microscopy, was obtained by computer simulation. The kinetic nature of the domain shape was clearly demonstrated. The kinetics of domain structure with the dominance of the growth of the steps formed at the domain walls as a result of domain merging was investigated experimentally in slightly distorted artificial regular two-dimensional (2D) hexagonal domain structure and random natural one. The artificial structure has been realized in congruent LiNbO 3 by 2D electrode pattern produced by photolithography. The polarization reversal in congruent LiTaO 3 was investigated as an example of natural domain growth limited by merging. The switching process defined by domain merging was studied by computer simulation. The crucial dependence of the switching kinetics on the nuclei concentration has been revealed

  2. Recovering protein-protein and domain-domain interactions from aggregation of IP-MS proteomics of coregulator complexes.

    Directory of Open Access Journals (Sweden)

    Amin R Mazloom

    2011-12-01

    Full Text Available Coregulator proteins (CoRegs are part of multi-protein complexes that transiently assemble with transcription factors and chromatin modifiers to regulate gene expression. In this study we analyzed data from 3,290 immuno-precipitations (IP followed by mass spectrometry (MS applied to human cell lines aimed at identifying CoRegs complexes. Using the semi-quantitative spectral counts, we scored binary protein-protein and domain-domain associations with several equations. Unlike previous applications, our methods scored prey-prey protein-protein interactions regardless of the baits used. We also predicted domain-domain interactions underlying predicted protein-protein interactions. The quality of predicted protein-protein and domain-domain interactions was evaluated using known binary interactions from the literature, whereas one protein-protein interaction, between STRN and CTTNBP2NL, was validated experimentally; and one domain-domain interaction, between the HEAT domain of PPP2R1A and the Pkinase domain of STK25, was validated using molecular docking simulations. The scoring schemes presented here recovered known, and predicted many new, complexes, protein-protein, and domain-domain interactions. The networks that resulted from the predictions are provided as a web-based interactive application at http://maayanlab.net/HT-IP-MS-2-PPI-DDI/.

  3. Mechanochemical coupling in the myosin motor domain. I. Insights from equilibrium active-site simulations.

    Directory of Open Access Journals (Sweden)

    Haibo Yu

    2007-02-01

    Full Text Available Although the major structural transitions in molecular motors are often argued to couple to the binding of Adenosine triphosphate (ATP, the recovery stroke in the conventional myosin has been shown to be dependent on the hydrolysis of ATP. To obtain a clearer mechanistic picture for such "mechanochemical coupling" in myosin, equilibrium active-site simulations with explicit solvent have been carried out to probe the behavior of the motor domain as functions of the nucleotide chemical state and conformation of the converter/relay helix. In conjunction with previous studies of ATP hydrolysis with different active-site conformations and normal mode analysis of structural flexibility, the results help establish an energetics-based framework for understanding the mechanochemical coupling. It is proposed that the activation of hydrolysis does not require the rotation of the lever arm per se, but the two processes are tightly coordinated because both strongly couple to the open/close transition of the active site. The underlying picture involves shifts in the dominant population of different structural motifs as a consequence of changes elsewhere in the motor domain. The contribution of this work and the accompanying paper [] is to propose the actual mechanism behind these "population shifts" and residues that play important roles in the process. It is suggested that structural flexibilities at both the small and large scales inherent to the motor domain make it possible to implement tight couplings between different structural motifs while maintaining small free-energy drops for processes that occur in the detached states, which is likely a feature shared among many molecular motors. The significantly different flexibility of the active site in different X-ray structures with variable level arm orientations supports the notation that external force sensed by the lever arm may transmit into the active site and influence the chemical steps (nucleotide

  4. Topological domain walls in helimagnets

    Science.gov (United States)

    Schoenherr, P.; Müller, J.; Köhler, L.; Rosch, A.; Kanazawa, N.; Tokura, Y.; Garst, M.; Meier, D.

    2018-05-01

    Domain walls naturally arise whenever a symmetry is spontaneously broken. They interconnect regions with different realizations of the broken symmetry, promoting structure formation from cosmological length scales to the atomic level1,2. In ferroelectric and ferromagnetic materials, domain walls with unique functionalities emerge, holding great promise for nanoelectronics and spintronics applications3-5. These walls are usually of Ising, Bloch or Néel type and separate homogeneously ordered domains. Here we demonstrate that a wide variety of new domain walls occurs in the presence of spatially modulated domain states. Using magnetic force microscopy and micromagnetic simulations, we show three fundamental classes of domain walls to arise in the near-room-temperature helimagnet iron germanium. In contrast to conventional ferroics, the domain walls exhibit a well-defined inner structure, which—analogous to cholesteric liquid crystals—consists of topological disclination and dislocation defects. Similar to the magnetic skyrmions that form in the same material6,7, the domain walls can carry a finite topological charge, permitting an efficient coupling to spin currents and contributions to a topological Hall effect. Our study establishes a new family of magnetic nano-objects with non-trivial topology, opening the door to innovative device concepts based on helimagnetic domain walls.

  5. Domain wall theory and exchange stiffness in Co/Pd multilayers

    NARCIS (Netherlands)

    Kambersky, V.; Kambersky, V.; de Haan, P.; Simsova, J.; Porthun, S.; Porthun, S.; Gemperle, R.; Lodder, J.C.

    1996-01-01

    The stripe model of domain structure in multilayers is studied by micromagnetic simulation. The results indicate a strong reduction of the effective domain wall energy (by dipolar effects). Domain width measurements on sputtered Co/Pd multilayers are compared with the theory. The estimated exchange

  6. Transient FDTD simulation validation

    OpenAIRE

    Jauregui Tellería, Ricardo; Riu Costa, Pere Joan; Silva Martínez, Fernando

    2010-01-01

    In computational electromagnetic simulations, most validation methods have been developed until now to be used in the frequency domain. However, the EMC analysis of the systems in the frequency domain many times is not enough to evaluate the immunity of current communication devices. Based on several studies, in this paper we propose an alternative method of validation of the transients in time domain allowing a rapid and objective quantification of the simulations results.

  7. A Momentum-Exchange/Fictitious Domain-Lattice Boltzmann Method for Solving Particle Suspensions

    Energy Technology Data Exchange (ETDEWEB)

    Jeon, Seok Yun; Yoon, Joon Yong [Hanyang Univ., Seoul (Korea, Republic of); Kim, Chul Kyu [Korea Institute of Civil Engineering and Building Technology, Goyang (Korea, Republic of); Shin, Myung Seob [Korea Intellectual Property Office(KIPO), Daejeon (Korea, Republic of)

    2016-06-15

    This study presents a Lattice Boltzmann Method (LBM) coupled with a momentum-exchange approach/fictitious domain (MEA/FD) method for the simulation of particle suspensions. The method combines the advantages of the LB and the FD methods by using two unrelated meshes, namely, a Eulerian mesh for the flow domain and a Lagrangian mesh for the solid domain. The rigid body conditions are enforced by the momentum-exchange scheme in which the desired value of velocity is imposed directly in the particle inner domain by introducing a pseudo body force to satisfy the constraint of rigid body motion, which is the key idea of a fictitious domain (FD) method. The LB-MEA/FD method has been validated by simulating two different cases, and the results have been compared with those through other methods. The numerical evidence illustrated the capability and robustness of the present method for simulating particle suspensions.

  8. An Overview of Public Domain Tools for Measuring the Sustainability of Environmental Remediation - 12060

    Energy Technology Data Exchange (ETDEWEB)

    Claypool, John E.; Rogers, Scott [AECOM, Denver, Colorado, 80202 (United States)

    2012-07-01

    their clients. When it comes to the public domain, Federal government agencies are spearheading the development of software tools to measure and report emissions of air pollutants (e.g., carbon dioxide, other greenhouse gases, criteria air pollutants); consumption of energy, water and natural resources; accident and safety risks; project costs and other economic metrics. Most of the tools developed for the Government are available to environmental practitioners without charge, so they are growing in usage and popularity. The key features and metrics calculated by the available public-domain tools for measuring the sustainability of environmental remediation projects share some commonalities but there are differences amongst the tools. The SiteWise{sup TM} sustainability tool developed for the Navy and US Army will be compared with the Sustainable Remediation Tool (SRT{sup TM}) developed for the US Air Force (USAF). In addition, the USAF's Clean Solar and Wind Energy in Environmental Programs (CleanSWEEP), a soon-to-be-released tool for evaluating the economic feasibility of utilizing renewal energy for powering remediation systems will be described in the paper. (authors)

  9. Full molecular dynamics simulations of liquid water and carbon tetrachloride for two-dimensional Raman spectroscopy in the frequency domain

    Energy Technology Data Exchange (ETDEWEB)

    Jo, Ju-Yeon, E-mail: ju8879@kuchem.kyoto-u.ac.jp; Ito, Hironobu, E-mail: h.ito@kuchem.kyoto-u.ac.jp; Tanimura, Yoshitaka, E-mail: tanimura@kuchem.kyoto-u.ac.jp

    2016-12-20

    Frequency-domain two-dimensional (2D) Raman signals, which are equivalent to coherent two-dimensional Raman scattering (COTRAS) signals, for liquid water and carbon tetrachloride were calculated using an equilibrium–nonequilibrium hybrid molecular dynamics (MD) simulation algorithm. An appropriate representation of the 2D Raman spectrum obtained from MD simulations provides an easy-to-understand depiction of structural and dynamical properties. We elucidate mechanisms governing the 2D signal profiles involving anharmonic mode–mode coupling and the nonlinearities of the polarizability for the intermolecular and intramolecular vibrational modes. The predicted signal profiles and intensities can be utilized to analyze recently developed single-beam 2D spectra, whose signals are generated from a coherently controlled pulse, allowing the single-beam measurement to be carried out more efficiently. Moreover, the MD simulation results allow us to visualize the molecular structure and dynamics by comparing the accurately calculated spectrum with experimental result.

  10. CFD simulation of a vertical axis wind turbine operating at a moderate tip speed ratio: guidelines for minimum domain size and azimuthal increment

    NARCIS (Netherlands)

    Rezaeiha, A.; Kalkman, I.; Blocken, B.

    2017-01-01

    Accurate prediction of the performance of a vertical-axis wind turbine (VAWT) using Computational Fluid Dynamics (CFD) simulation requires a domain size that is large enough to minimize the effects of blockage and uncertainties in the boundary conditions on the results. It also requires the

  11. CONDENSED MATTER: STRUCTURE, THERMAL AND MECHANICAL PROPERTIES: Phase-field simulation of the effect of interaction among ordered domains on interdiffusion in Ni-Al-Cr alloys

    Science.gov (United States)

    Zhang, Yu-Xiang; Wang, Jin-Cheng; Yang, Yu-Juan; Yang, Gen-Cang; Zhou, Yao-He

    2009-10-01

    The effect of interaction among γ' ordered domains on the interdiffusion process in γ + γ'/γ and γ + γ'/γ + γ' diffusion couples is investigated by using the phase-field method, in which bulk free energy and mobility are linked with thermodynamic and kinetic databases. Simulated results show that the interaction among γ' ordered domains has great influence on the microstructure, the interdiffusion velocity and the volume fraction of γ' phase on both sides of the diffusion couples.

  12. Towards accurate CFD simulations of vertical axis wind turbines at different tip speed ratios and solidities : Guidelines for azimuthal increment, domain size and convergence

    NARCIS (Netherlands)

    Rezaeiha, Abdolrahim; Montazeri, H.; Blocken, B.

    2018-01-01

    The accuracy of CFD simulations of vertical axis wind turbines (VAWTs) is known to be significantly associated with the computational parameters, such as azimuthal increment, domain size and number of turbine revolutions before reaching a statistically steady state condition (convergence). A

  13. Insight into the adsorption profiles of the Saprolegnia monoica chitin synthase MIT domain on POPA and POPC membranes by molecular dynamics simulation studies.

    Science.gov (United States)

    Kuang, Guanglin; Liang, Lijun; Brown, Christian; Wang, Qi; Bulone, Vincent; Tu, Yaoquan

    2016-02-21

    The critical role of chitin synthases in oomycete hyphal tip growth has been established. A microtubule interacting and trafficking (MIT) domain was discovered in the chitin synthases of the oomycete model organism, Saprolegnia monoica. MIT domains have been identified in diverse proteins and may play a role in intracellular trafficking. The structure of the Saprolegnia monoica chitin synthase 1 (SmChs1) MIT domain has been recently determined by our group. However, although our in vitro assay identified increased strength in interactions between the MIT domain and phosphatidic acid (PA) relative to other phospholipids including phosphatidylcholine (PC), the mechanism used by the MIT domain remains unknown. In this work, the adsorption behavior of the SmChs1 MIT domain on POPA and POPC membranes was systematically investigated by molecular dynamics simulations. Our results indicate that the MIT domain can adsorb onto the tested membranes in varying orientations. Interestingly, due to the specific interactions between MIT residues and lipid molecules, the binding affinity to the POPA membrane is much higher than that to the POPC membrane. A binding hotspot, which is critical for the adsorption of the MIT domain onto the POPA membrane, was also identified. The lower binding affinity to the POPC membrane can be attributed to the self-saturated membrane surface, which is unfavorable for hydrogen-bond and electrostatic interactions. The present study provides insight into the adsorption profile of SmChs1 and additionally has the potential to improve our understanding of other proteins containing MIT domains.

  14. Assessing water availability over peninsular Malaysia using public domain satellite data products

    International Nuclear Information System (INIS)

    Ali, M I; Hashim, M; Zin, H S M

    2014-01-01

    Water availability monitoring is an essential task for water resource sustainability and security. In this paper, the assessment of satellite remote sensing technique for determining water availability is reported. The water-balance analysis is used to compute the spatio-temporal water availability with main inputs; the precipitation and actual evapotranspiration rate (AET), both fully derived from public-domain satellite products of Tropical Rainfall Measurement Mission (TRMM) and MODIS, respectively. Both these satellite products were first subjected to calibration to suit corresponding selected local precipitation and AET samples. Multi-temporal data sets acquired 2000-2010 were used in this study. The results of study, indicated strong agreement of monthly water availability with the basin flow rate (r 2 = 0.5, p < 0.001). Similar agreements were also noted between the estimated annual average water availability with the in-situ measurement. It is therefore concluded that the method devised in this study provide a new alternative for water availability mapping over large area, hence offers the only timely and cost-effective method apart from providing comprehensive spatio-temporal patterns, crucial in water resource planning to ensure water security

  15. Multi-ensemble regional simulation of Indian monsoon during contrasting rainfall years: role of convective schemes and nested domain

    Science.gov (United States)

    Devanand, Anjana; Ghosh, Subimal; Paul, Supantha; Karmakar, Subhankar; Niyogi, Dev

    2018-06-01

    Regional simulations of the seasonal Indian summer monsoon rainfall (ISMR) require an understanding of the model sensitivities to physics and resolution, and its effect on the model uncertainties. It is also important to quantify the added value in the simulated sub-regional precipitation characteristics by a regional climate model (RCM), when compared to coarse resolution rainfall products. This study presents regional model simulations of ISMR at seasonal scale using the Weather Research and Forecasting (WRF) model with the synoptic scale forcing from ERA-interim reanalysis, for three contrasting monsoon seasons, 1994 (excess), 2002 (deficit) and 2010 (normal). Impact of four cumulus schemes, viz., Kain-Fritsch (KF), Betts-Janjić-Miller, Grell 3D and modified Kain-Fritsch (KFm), and two micro physical parameterization schemes, viz., WRF Single Moment Class 5 scheme and Lin et al. scheme (LIN), with eight different possible combinations are analyzed. The impact of spectral nudging on model sensitivity is also studied. In WRF simulations using spectral nudging, improvement in model rainfall appears to be consistent in regions with topographic variability such as Central Northeast and Konkan Western Ghat sub-regions. However the results are also dependent on choice of cumulus scheme used, with KF and KFm providing relatively good performance and the eight member ensemble mean showing better results for these sub-regions. There is no consistent improvement noted in Northeast and Peninsular Indian monsoon regions. Results indicate that the regional simulations using nested domains can provide some improvements on ISMR simulations. Spectral nudging is found to improve upon the model simulations in terms of reducing the intra ensemble spread and hence the uncertainty in the model simulated precipitation. The results provide important insights regarding the need for further improvements in the regional climate simulations of ISMR for various sub-regions and contribute

  16. Multi-ensemble regional simulation of Indian monsoon during contrasting rainfall years: role of convective schemes and nested domain

    Science.gov (United States)

    Devanand, Anjana; Ghosh, Subimal; Paul, Supantha; Karmakar, Subhankar; Niyogi, Dev

    2017-08-01

    Regional simulations of the seasonal Indian summer monsoon rainfall (ISMR) require an understanding of the model sensitivities to physics and resolution, and its effect on the model uncertainties. It is also important to quantify the added value in the simulated sub-regional precipitation characteristics by a regional climate model (RCM), when compared to coarse resolution rainfall products. This study presents regional model simulations of ISMR at seasonal scale using the Weather Research and Forecasting (WRF) model with the synoptic scale forcing from ERA-interim reanalysis, for three contrasting monsoon seasons, 1994 (excess), 2002 (deficit) and 2010 (normal). Impact of four cumulus schemes, viz., Kain-Fritsch (KF), Betts-Janjić-Miller, Grell 3D and modified Kain-Fritsch (KFm), and two micro physical parameterization schemes, viz., WRF Single Moment Class 5 scheme and Lin et al. scheme (LIN), with eight different possible combinations are analyzed. The impact of spectral nudging on model sensitivity is also studied. In WRF simulations using spectral nudging, improvement in model rainfall appears to be consistent in regions with topographic variability such as Central Northeast and Konkan Western Ghat sub-regions. However the results are also dependent on choice of cumulus scheme used, with KF and KFm providing relatively good performance and the eight member ensemble mean showing better results for these sub-regions. There is no consistent improvement noted in Northeast and Peninsular Indian monsoon regions. Results indicate that the regional simulations using nested domains can provide some improvements on ISMR simulations. Spectral nudging is found to improve upon the model simulations in terms of reducing the intra ensemble spread and hence the uncertainty in the model simulated precipitation. The results provide important insights regarding the need for further improvements in the regional climate simulations of ISMR for various sub-regions and contribute

  17. Two-way coupling of magnetohydrodynamic simulations with embedded particle-in-cell simulations

    Science.gov (United States)

    Makwana, K. D.; Keppens, R.; Lapenta, G.

    2017-12-01

    We describe a method for coupling an embedded domain in a magnetohydrodynamic (MHD) simulation with a particle-in-cell (PIC) method. In this two-way coupling we follow the work of Daldorff et al. (2014) [19] in which the PIC domain receives its initial and boundary conditions from MHD variables (MHD to PIC coupling) while the MHD simulation is updated based on the PIC variables (PIC to MHD coupling). This method can be useful for simulating large plasma systems, where kinetic effects captured by particle-in-cell simulations are localized but affect global dynamics. We describe the numerical implementation of this coupling, its time-stepping algorithm, and its parallelization strategy, emphasizing the novel aspects of it. We test the stability and energy/momentum conservation of this method by simulating a steady-state plasma. We test the dynamics of this coupling by propagating plasma waves through the embedded PIC domain. Coupling with MHD shows satisfactory results for the fast magnetosonic wave, but significant distortion for the circularly polarized Alfvén wave. Coupling with Hall-MHD shows excellent coupling for the whistler wave. We also apply this methodology to simulate a Geospace Environmental Modeling (GEM) challenge type of reconnection with the diffusion region simulated by PIC coupled to larger scales with MHD and Hall-MHD. In both these cases we see the expected signatures of kinetic reconnection in the PIC domain, implying that this method can be used for reconnection studies.

  18. User interfaces for computational science: A domain specific language for OOMMF embedded in Python

    Directory of Open Access Journals (Sweden)

    Marijan Beg

    2017-05-01

    Full Text Available Computer simulations are used widely across the engineering and science disciplines, including in the research and development of magnetic devices using computational micromagnetics. In this work, we identify and review different approaches to configuring simulation runs: (i the re-compilation of source code, (ii the use of configuration files, (iii the graphical user interface, and (iv embedding the simulation specification in an existing programming language to express the computational problem. We identify the advantages and disadvantages of different approaches and discuss their implications on effectiveness and reproducibility of computational studies and results. Following on from this, we design and describe a domain specific language for micromagnetics that is embedded in the Python language, and allows users to define the micromagnetic simulations they want to carry out in a flexible way. We have implemented this micromagnetic simulation description language together with a computational backend that executes the simulation task using the Object Oriented MicroMagnetic Framework (OOMMF. We illustrate the use of this Python interface for OOMMF by solving the micromagnetic standard problem 4. All the code is publicly available and is open source.

  19. A hybrid method combining the Time-Domain Method of Moments, the Time-Domain Uniform Theory of Diffraction and the FDTD

    Directory of Open Access Journals (Sweden)

    A. Becker

    2007-06-01

    Full Text Available In this paper a hybrid method combining the Time-Domain Method of Moments (TD-MoM, the Time-Domain Uniform Theory of Diffraction (TD-UTD and the Finite-Difference Time-Domain Method (FDTD is presented. When applying this new hybrid method, thin-wire antennas are modeled with the TD-MoM, inhomogeneous bodies are modelled with the FDTD and large perfectly conducting plates are modelled with the TD-UTD. All inhomogeneous bodies are enclosed in a so-called FDTD-volume and the thin-wire antennas can be embedded into this volume or can lie outside. The latter avoids the simulation of white space between antennas and inhomogeneous bodies. If the antennas are positioned into the FDTD-volume, their discretization does not need to agree with the grid of the FDTD. By using the TD-UTD large perfectly conducting plates can be considered efficiently in the solution-procedure. Thus this hybrid method allows time-domain simulations of problems including very different classes of objects, applying the respective most appropriate numerical techniques to every object.

  20. A Generic Discrete-Event Simulation Model for Outpatient Clinics in a Large Public Hospital

    Directory of Open Access Journals (Sweden)

    Waressara Weerawat

    2013-01-01

    Full Text Available The orthopedic outpatient department (OPD ward in a large Thai public hospital is modeled using Discrete-Event Stochastic (DES simulation. Key Performance Indicators (KPIs are used to measure effects across various clinical operations during different shifts throughout the day. By considering various KPIs such as wait times to see doctors, percentage of patients who can see a doctor within a target time frame, and the time that the last patient completes their doctor consultation, bottlenecks are identified and resource-critical clinics can be prioritized. The simulation model quantifies the chronic, high patient congestion that is prevalent amongst Thai public hospitals with very high patient-to-doctor ratios. Our model can be applied across five different OPD wards by modifying the model parameters. Throughout this work, we show how DES models can be used as decision-support tools for hospital management.

  1. Influence of boundary geometry in domain wall propagation in magnetic films with asymmetric holes: Micromagnetic calculations

    International Nuclear Information System (INIS)

    Alija, A; Sobrado, I; Rodriguez-RodrIguez, G; Velez, M; Alameda, J M; MartIn, J I; Parrondo, J M R

    2010-01-01

    Micromagnetic simulations have been performed in uniaxial magnetic films with 2D array of asymmetric arrow shape holes. In order to understand the asymmetric pinning potential created by the holes, different boundary geometries conditions are used on the simulations. The depinning fields for forward and backward domain wall propagation have been calculated by the analysis of the energy landscapes as a function of the domain wall position. Domain wall depinning occurs preferentially at the free ends of the domain wall at the film boundaries. We have found that the domain wall propagation is different at the top/bottom boundaries of the simulated film which can be understood in terms of the magnetostatic energy and the chirality of the domain wall.

  2. Radiological emergencies due to postulated events of melted radioactive material mixed in steel reaching public domain

    International Nuclear Information System (INIS)

    Meena, T.R.; Anoj Kumar; Patra, R.P.; Vikas; Patil, S.S.; Chatterjee, M.K.; Sharma, Ranjit; Murali, S.

    2014-01-01

    National level response mechanism is developed at emergency response centres of DAE (DAE-ERCs) at 22 different locations spread all over the country and National Disaster Response Forces with National Disaster Management Authority (NDMA). ERCs are equipped with radiation monitors, radionuclide identifinders, Personnel Radiation Dosimeters (PRD) with monitoring capabilities of the order of tens of nGy/h (μR/hr) above the radiation background at any suspected locations. Even if small amounts of radioactive material is smuggled and brought in some other form into public domain, ERCs are capable to detect, identify and segregate the radioactive material from any inactive scrap. DAE-ERCs have demonstrated their capability in source search, detection, identification and recovery during the radiological emergency at Mayapuri, New Delhi

  3. Radiological emergencies due to postulated events of melted radioactive material mixed in steel reaching public domain

    Energy Technology Data Exchange (ETDEWEB)

    Meena, T. R.; Kumar, Anoj; Patra, R. P.; Vikas,; Patil, S. S.; Chatterjee, M. K.; Sharma, Ranjit; Murali, S., E-mail: tejram@barc.gov.in [Radiation Safety Systems Division, Bhabha Atomic Research Centre, Mumbai (India)

    2014-07-01

    National level response mechanism is developed at emergency response centres of DAE (DAE-ERCs) at 22 different locations spread all over the country and National Disaster Response Forces with National Disaster Management Authority (NDMA). ERCs are equipped with radiation monitors, radionuclide identifinders, Personnel Radiation Dosimeters (PRD) with monitoring capabilities of the order of tens of nGy/h (μR/hr) above the radiation background at any suspected locations. Even if small amounts of radioactive material is smuggled and brought in some other form into public domain, ERCs are capable to detect, identify and segregate the radioactive material from any inactive scrap. DAE-ERCs have demonstrated their capability in source search, detection, identification and recovery during the radiological emergency at Mayapuri, New Delhi.

  4. A domain-specific analysis system for examining nuclear reactor simulation data for light-water and sodium-cooled fast reactors

    International Nuclear Information System (INIS)

    Billings, Jay Jay; Deyton, Jordan H.; Forest Hull, S.; Lingerfelt, Eric J.; Wojtowicz, Anna

    2015-01-01

    Highlights: • Data analysis for high-performance simulations of reactors will be a problem that we address with a new management system. • We describe new input-output libraries for nuclear reactor simulations. • We describe a new user interface for visualizing and analyzing simulation results. • We show the utility of these systems with a 17 × 17 fuel assembly example simulation. • The availability of the code and avenues for collaboration are presented. - Abstract: Building a new generation of fission reactors in the United States presents many technical and regulatory challenges. One important challenge is the need to share and present results from new high-fidelity, high-performance simulations in an easily usable way. Since modern multiscale, multi-physics simulations can generate petabytes of data, they will require the development of new techniques and methods to reduce the data to familiar quantities of interest (e.g., pin powers, temperatures) with a more reasonable resolution and size. Furthermore, some of the results from these simulations may be new quantities for which visualization and analysis techniques are not immediately available in the community and need to be developed. This paper describes a new system for managing high-performance simulation results in a domain-specific way that naturally exposes quantities of interest for light water and sodium-cooled fast reactors. It describes requirements to build such a system and the technical challenges faced in its development at all levels (simulation, user interface, etc.). An example comparing results from two different simulation suites for a single assembly in a light-water reactor is presented, along with a detailed discussion of the system’s requirements and design

  5. Diffusion in Altered Tonalite Sample Using Time Domain Diffusion Simulations in Tomographic Images Combined with Lab-scale Diffusion Experiments

    Science.gov (United States)

    Voutilainen, M.; Sardini, P.; Togneri, L.; Siitari-Kauppi, M.; Timonen, J.

    2010-12-01

    In this work an effect of rock heterogeneity on diffusion was investigated. Time domain diffusion simulations were used to compare behavior of diffusion in homogeneous and heterogeneous 3D media. Tomographic images were used as heterogeneous rock media. One altered tonalite sample from Sievi, Finland, was chosen as test case for introduced analysis procedure. Effective diffusion coefficient of tonalite sample was determined with lab-scale experiments and the same coefficient was used also for homogeneous media. Somewhat technically complicated mathematical solution for analysis of through diffusion experiment is shortly described. Computed tomography (CT) is already quite widely used in many geological, petrological, and paleontological applications when the three-dimensional (3D) structure of the material is of interest, and is an excellent method for gaining information especially about its heterogeneity, grain size, or porosity. In addition to offering means for quantitative characterization, CT provides a lot of qualitative information [1]. A through -diffusion laboratory experiment using radioactive tracer was fitted using the Time Domain Diffusion (TDD) method. This rapid particle tracking method allows simulation of the heterogeneous diffusion based on pore-scale images and local values of diffusivities [2]. As a result we found out that heterogeneity has only a small effect to diffusion coefficient and in-diffusion profile for used geometry. Also direction dependency was tested and was found to be negligible. Whereas significant difference between generally accepted value and value obtained from simulations for constant m in Archie’s law was found. [1] Voutilainen, M., Siitari-Kauppi, M., Sardini, P., and Timonen, J., (2010). On pore-space characterization of an altered tonalite by X-ray µCT and the 14C-PMMA method (in progress). [2] Sardini, P., Robinet, J., Siitari-Kauppi, M., Delay, F., and Hellmuth, K-H, (2007). On direct simulation of heterogeneous

  6. Multi-agent systems simulation and applications

    CERN Document Server

    Uhrmacher, Adelinde M

    2009-01-01

    Methodological Guidelines for Modeling and Developing MAS-Based SimulationsThe intersection of agents, modeling, simulation, and application domains has been the subject of active research for over two decades. Although agents and simulation have been used effectively in a variety of application domains, much of the supporting research remains scattered in the literature, too often leaving scientists to develop multi-agent system (MAS) models and simulations from scratch. Multi-Agent Systems: Simulation and Applications provides an overdue review of the wide ranging facets of MAS simulation, i

  7. Web Syndication Approaches for Sharing Primary Data in "Small Science" Domains

    Directory of Open Access Journals (Sweden)

    Eric C Kansa

    2010-06-01

    Full Text Available In some areas of science, sophisticated web services and semantics underlie "cyberinfrastructure". However, in "small science" domains, especially in field sciences such as archaeology, conservation, and public health, datasets often resist standardization. Publishing data in the small sciences should embrace this diversity rather than attempt to corral research into "universal" (domain standards. A growing ecosystem of increasingly powerful Web syndication based approaches for sharing data on the public Web can offer a viable approach. Atom Feed based services can be used with scientific collections to identify and create linkages across different datasets, even across disciplinary boundaries without shared domain standards.

  8. Measuring the Benefits of Public Chargers and Improving Infrastructure Deployments Using Advanced Simulation Tools: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Wood, Eric; Neubauer. Jeremy; Burton, Evan

    2015-02-01

    With support from the U.S. Department of Energy's Vehicle Technologies Office, the National Renewable Energy Laboratory developed BLAST-V -- the Battery Lifetime Analysis and Simulation Tool for Vehicles. The addition of high-resolution spatial-temporal travel histories enables BLAST-V to investigate user-defined infrastructure rollouts of publically accessible charging infrastructure, as well as quantify impacts on vehicle and station owners in terms of improved vehicle utility and station throughput. This paper presents simulation outputs from BLAST-V that quantify the utility improvements of multiple distinct rollouts of publically available Level 2 electric vehicle supply equipment (EVSE) in the Seattle, Washington, metropolitan area. Publically available data on existing Level 2 EVSE are also used as an input to BLAST-V. The resulting vehicle utility is compared to a number of mock rollout scenarios. Discussion focuses on the estimated number of Level 2 stations necessary to substantially increase vehicle utility and how stations can be strategically sited to maximize their potential benefit to prospective electric vehicle owners.

  9. Monte Carlo studies of domain growth in two dimensions

    International Nuclear Information System (INIS)

    Yaldram, K.; Ahsan Khan, M.

    1983-07-01

    Monte Carlo simulations have been carried out to study the effect of temperature on the kinetics of domain growth. The concept of ''spatial entropy'' is introduced. It is shown that ''spatial entropy'' of the domain can be used to give a measure of the roughening of the domain. Most of the roughening is achieved during the initial time (t< or approx. 10 Monte Carlo cycles), the rate of roughening being greater for higher temperatures. For later times the roughening of the domain for different temperatures proceeds at essentially the same rate. (author)

  10. Effect of membrane microheterogeneity and domain size on fluorescence resonance energy transfer.

    Science.gov (United States)

    Towles, Kevin B; Brown, Angela C; Wrenn, Steven P; Dan, Nily

    2007-07-15

    Studies of multicomponent membranes suggest lateral inhomogeneity in the form of membrane domains, but the size of small (nanoscale) domains in situ cannot be determined with current techniques. In this article, we present a model that enables extraction of membrane domain size from time-resolved fluorescence resonance energy transfer (FRET) data. We expand upon a classic approach to the infinite phase separation limit and formulate a model that accounts for the presence of disklike domains of finite dimensions within a two-dimensional infinite planar bilayer. The model was tested against off-lattice Monte Carlo calculations of a model membrane in the liquid-disordered (l(d)) and liquid-ordered (l(o)) coexistence regime. Simulated domain size was varied from 5 to 50 nm, and two fluorophores, preferentially partitioning into opposite phases, were randomly mixed to obtain the simulated time-resolved FRET data. The Monte Carlo data show clear differences in the efficiency of energy transfer as a function of domain size. The model fit of the data yielded good agreement for the domain size, especially in cases where the domain diameter is membrane domains using time-resolved FRET.

  11. Finite-Difference Frequency-Domain Method in Nanophotonics

    DEFF Research Database (Denmark)

    Ivinskaya, Aliaksandra

    Optics and photonics are exciting, rapidly developing fields building their success largely on use of more and more elaborate artificially made, nanostructured materials. To further advance our understanding of light-matter interactions in these complicated artificial media, numerical modeling...... is often indispensable. This thesis presents the development of rigorous finite-difference method, a very general tool to solve Maxwell’s equations in arbitrary geometries in three dimensions, with an emphasis on the frequency-domain formulation. Enhanced performance of the perfectly matched layers...... is obtained through free space squeezing technique, and nonuniform orthogonal grids are built to greatly improve the accuracy of simulations of highly heterogeneous nanostructures. Examples of the use of the finite-difference frequency-domain method in this thesis range from simulating localized modes...

  12. Nesting Large-Eddy Simulations Within Mesoscale Simulations for Wind Energy Applications

    Science.gov (United States)

    Lundquist, J. K.; Mirocha, J. D.; Chow, F. K.; Kosovic, B.; Lundquist, K. A.

    2008-12-01

    With increasing demand for more accurate atmospheric simulations for wind turbine micrositing, for operational wind power forecasting, and for more reliable turbine design, simulations of atmospheric flow with resolution of tens of meters or higher are required. These time-dependent large-eddy simulations (LES) account for complex terrain and resolve individual atmospheric eddies on length scales smaller than turbine blades. These small-domain high-resolution simulations are possible with a range of commercial and open- source software, including the Weather Research and Forecasting (WRF) model. In addition to "local" sources of turbulence within an LES domain, changing weather conditions outside the domain can also affect flow, suggesting that a mesoscale model provide boundary conditions to the large-eddy simulations. Nesting a large-eddy simulation within a mesoscale model requires nuanced representations of turbulence. Our group has improved the Weather and Research Forecating model's (WRF) LES capability by implementing the Nonlinear Backscatter and Anisotropy (NBA) subfilter stress model following Kosoviæ (1997) and an explicit filtering and reconstruction technique to compute the Resolvable Subfilter-Scale (RSFS) stresses (following Chow et al, 2005). We have also implemented an immersed boundary method (IBM) in WRF to accommodate complex terrain. These new models improve WRF's LES capabilities over complex terrain and in stable atmospheric conditions. We demonstrate approaches to nesting LES within a mesoscale simulation for farms of wind turbines in hilly regions. Results are sensitive to the nesting method, indicating that care must be taken to provide appropriate boundary conditions, and to allow adequate spin-up of turbulence in the LES domain. This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  13. Calculation of nonzero-temperature Casimir forces in the time domain

    International Nuclear Information System (INIS)

    Pan, Kai; Reid, M. T. Homer; McCauley, Alexander P.; Rodriguez, Alejandro W.; White, Jacob K.; Johnson, Steven G.

    2011-01-01

    We show how to compute Casimir forces at nonzero temperatures with time-domain electromagnetic simulations, for example, using a finite-difference time-domain (FDTD) method. Compared to our previous zero-temperature time-domain method, only a small modification is required, but we explain that some care is required to properly capture the zero-frequency contribution. We validate the method against analytical and numerical frequency-domain calculations, and show a surprising high-temperature disappearance of a nonmonotonic behavior previously demonstrated in a pistonlike geometry.

  14. Simulation of compressible viscous flow in time-dependent domains

    Czech Academy of Sciences Publication Activity Database

    Česenek, J.; Feistauer, M.; Horáček, Jaromír; Kučera, V.; Prokopova, J.

    2013-01-01

    Roč. 219, č. 13 (2013), s. 7139-7150 ISSN 0096-3003 R&D Projects: GA ČR(CZ) GAP101/11/0207 Institutional support: RVO:61388998 Keywords : time dependent domain * ALE method * semi-implicit time discretization * shock indicator Subject RIV: BI - Acoustics Impact factor: 1.600, year: 2013

  15. Switching Operation Simulations in a Large Offshore Wind Farm with Use of Parametric Variation and Frequency Domain Severity Factor

    DEFF Research Database (Denmark)

    Holdyk, Andrzej; Holbøll, Joachim; Arana, Ivan

    2012-01-01

    Transient voltages resulting from switching operations depend on an interaction between the breaker, the transformer, cables and a neighbourhood grid and imply a risk for the transformer and other components. In this paper the Frequency Domain Severity Factor (FDSF) is used to assess the severity...... of electrical stress imposed on wind turbine transformers by voltage waveforms produced during switching operations. The method is implemented in Matlab together with automatic and systematic variation of parameters. Simulations of a radial energization are performed on a 90MVA offshore wind farm model...

  16. Reminiscence of CFD simulation; CFD simulation no omoide

    Energy Technology Data Exchange (ETDEWEB)

    Shimamoto, Y. [University of Shiga Prefecture, Shiga (Japan)

    1998-12-01

    Upon graduation from university, the author began studying internal combustion engines, and has been engaged in the numerical analysis of gas flows for 45 years. His graduation study involved the measurement of velocity distribution at the turbine nozzle outlet in the subsonic domain. When he was in the internal engine laboratory of the graduate school, Mentor Fujio Nagao presented him with an essay of E. Jenny on the characteristic curve method, that is, a writing on the numerical analysis of gas flows in the exhaust system of a pulse operation engine. From that time onward, he has been involved with numerical simulation in this field. Some seniors of his gave him various advice about his way too much inclined toward numerical calculation. But the author believes that, as far as one is interested in numerical analysis and does not refrain from touching things, new discoveries related to engineering will occur at the same probability, whether one is absorbed in experiment or in simulation. In the study of simulation, although the engineers concerned are supposed to make propositions on practical programs for prediction that may be applicable to various fields well as to seek for new schemes, it is desired that cooperative studies between industries and universities will become real that are open to the public. (NEDO)

  17. Luminescence dose reconstruction using personal objects and material available in the environment and public domain

    International Nuclear Information System (INIS)

    Goeksu, H. Y.

    2006-01-01

    There is a growing concern in the public about accidental radiation exposures due to the ageing of the nuclear power industry, illegal dumping of nuclear waste, or terrorist activities which may increase the health risks to individuals or large numbers of public. In cases where no direct radiation monitoring data are available, luminescence dose reconstruction obtained using material from the immediate environment of population or persons can be used to validate values obtained from the numerical simulations. In recent years, especially after the Chernobyl accident, techniques and methodology of luminescence dose reconstruction using fired building material have advanced to such an extent that radiation from anthropogenic sources as low as 10 mGy can be resolved within two years after the event. It was demonstrated that luminescence measurements using bricks combined with Monte-Carlo simulations of photon transport for a given source geometry and distribution can provide quantities to derive doses for populations or groups of people living in contaminated areas that can be used for epidemiological studies. In this presentation, recent approaches in luminescence dose reconstruction using un-fired building materials such as concrete and silica brick will be reviewed and the possible use of personal artefacts such as telephone chip cards or prosthetic and restorative teeth will be discussed. The review will include the results of the joint efforts of the international team supported by the EU at the Chernobyl affected territories, areas affected due to activities of Plutonium production facilities in Southern Urals (Russia), and settlements around the Semipalatinsk nuclear bomb test sites

  18. Integration of NMR And SAXS with Atomistic Simulations for Characterizing the Structure and Dynamics of Multi-Domain Proteins

    Science.gov (United States)

    Debiec, Karl Thomas

    In the seven decades since the first atomic-level structures of biomolecules were determined, the development and application of novel research methods has led to an advanced understanding of biological functions at the molecular level. In addition to experimental methods, key advances have been spurred by computer simulations, which provide an in silico representation of accumulated prior knowledge of biomolecular structure and dynamics. These models can be used both (i) as a complement to experimental results, filling in the gaps where experimental information is not accessible, and (ii) as complete representations, directing future research. Critically, the validity of either application depends on the accuracy of the models used. In this work, I aspired to combine computational and experimental methods to characterize the structure and dynamics of the flexibly linked two-domain protein MoCVNH3. In Chapter 1 I describe my motivation, and the suspected simulation artifacts observed in our preliminary simulations, which led me to investigate how accurately simulation models represent salt bridge interactions. Chapter 2 details my comparison of current models ("force fields"), for which significant variation but consistent overstabilization of salt bridges was discovered. This work motivated the development of a new force field, AMBER ff15ipq, which corrects, to some degree, the overstabilization and introduces extensive improvements, described in Chapter 3. Finally, in Chapter 4, I applied this new force field in simulations of MoCVNH3, for which I collected extensive experimental data leading to the determination of a structural ensemble. I validated the simulations against the experimental data set, and identified further directions for improvement. Overall, the work presented here demonstrates the power of integrating experimental and computational methods.

  19. Computational Studies of the Active and Inactive Regulatory Domains of Response Regulator PhoP Using Molecular Dynamics Simulations.

    Science.gov (United States)

    Qing, Xiao-Yu; Steenackers, Hans; Venken, Tom; De Maeyer, Marc; Voet, Arnout

    2017-11-01

    The response regulator PhoP is part of the PhoP/PhoQ two-component system, which is responsible for regulating the expression of multiple genes involved in controlling virulence, biofilm formation, and resistance to antimicrobial peptides. Therefore, modulating the transcriptional function of the PhoP protein is a promising strategy for developing new antimicrobial agents. There is evidence suggesting that phosphorylation-mediated dimerization in the regulatory domain of PhoP is essential for its transcriptional function. Disruption or stabilization of protein-protein interactions at the dimerization interface may inhibit or enhance the expression of PhoP-dependent genes. In this study, we performed molecular dynamics simulations on the active and inactive dimers and monomers of the PhoP regulatory domains, followed by pocket-detecting screenings and a quantitative hot-spot analysis in order to assess the druggability of the protein. Consistent with prior hypothesis, the calculation of the binding free energy shows that phosphorylation enhances dimerization of PhoP. Furthermore, we have identified two different putative binding sites at the dimerization active site (the α4-β5-α5 face) with energetic "hot-spot" areas, which could be used to search for modulators of protein-protein interactions. This study delivers insight into the dynamics and druggability of the dimerization interface of the PhoP regulatory domain, and may serve as a basis for the rational identification of new antimicrobial drugs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Time-domain simulation of constitutive relations for nonlinear acoustics including relaxation for frequency power law attenuation media modeling

    Science.gov (United States)

    Jiménez, Noé; Camarena, Francisco; Redondo, Javier; Sánchez-Morcillo, Víctor; Konofagou, Elisa E.

    2015-10-01

    We report a numerical method for solving the constitutive relations of nonlinear acoustics, where multiple relaxation processes are included in a generalized formulation that allows the time-domain numerical solution by an explicit finite differences scheme. Thus, the proposed physical model overcomes the limitations of the one-way Khokhlov-Zabolotskaya-Kuznetsov (KZK) type models and, due to the Lagrangian density is implicitly included in the calculation, the proposed method also overcomes the limitations of Westervelt equation in complex configurations for medical ultrasound. In order to model frequency power law attenuation and dispersion, such as observed in biological media, the relaxation parameters are fitted to both exact frequency power law attenuation/dispersion media and also empirically measured attenuation of a variety of tissues that does not fit an exact power law. Finally, a computational technique based on artificial relaxation is included to correct the non-negligible numerical dispersion of the finite difference scheme, and, on the other hand, improve stability trough artificial attenuation when shock waves are present. This technique avoids the use of high-order finite-differences schemes leading to fast calculations. The present algorithm is especially suited for practical configuration where spatial discontinuities are present in the domain (e.g. axisymmetric domains or zero normal velocity boundary conditions in general). The accuracy of the method is discussed by comparing the proposed simulation solutions to one dimensional analytical and k-space numerical solutions.

  1. Conformational dynamics and ligand binding in the multi-domain protein PDC109.

    Directory of Open Access Journals (Sweden)

    Hyun Jin Kim

    2010-02-01

    Full Text Available PDC109 is a modular multi-domain protein with two fibronectin type II (Fn2 repeats joined by a linker. It plays a major role in bull sperm binding to the oviductal epithelium through its interactions with phosphorylcholines (PhCs, a head group of sperm cell membrane lipids. The crystal structure of the PDC109-PhC complex shows that each PhC binds to the corresponding Fn2 domain, while the two domains are on the same face of the protein. Long timescale explicit solvent molecular dynamics (MD simulations of PDC109, in the presence and absence of PhC, suggest that PhC binding strongly correlates with the relative orientation of choline-phospholipid binding sites of the two Fn2 domains; unless the two domains tightly bind PhCs, they tend to change their relative orientation by deforming the flexible linker. The effective PDC109-PhC association constant of 28 M(-1, estimated from their potential of mean force is consistent with the experimental result. Principal component analysis of the long timescale MD simulations was compared to the significantly less expensive normal mode analysis of minimized structures. The comparison indicates that difference between relative domain motions of PDC109 with bound and unbound PhC is captured by the first principal component in the principal component analysis as well as the three lowest normal modes in the normal mode analysis. The present study illustrates the use of detailed MD simulations to clarify the energetics of specific ligand-domain interactions revealed by a static crystallographic model, as well as their influence on relative domain motions in a multi-domain protein.

  2. Safety Domain Measurement for Vessels in an Overtaking Situation

    Directory of Open Access Journals (Sweden)

    Hua-Zhi Hsu

    2014-12-01

    Full Text Available Marine traffic engineering has been pushed to the limits due to a rising demand in the shipping business. Merchant ships are growing dramatically, both in numbers and in size. To keep pace with current developments, automation seems to be one viable option when it comes to keeping ships running with fewer seafarers available. The aim of this paper is to monitor a modern day mariners’ performance while working in a tense situation. The objective is to define the size of the safety domain whilst overtaking a vessel. The approach was to assess the ship's domain area within a 3 nm wide traffic separation scheme by using a ship handling simulator. From the simulation results, an overtaking domain was determined as 1.36 nm long and 0.4 nm wide. Safety domains in real-life situations were experienced on a much smaller scale compared to the previous findings. The working load for this particular operation is expected to be stressful and highly skilled orientated.

  3. HuPSON: the human physiology simulation ontology.

    Science.gov (United States)

    Gündel, Michaela; Younesi, Erfan; Malhotra, Ashutosh; Wang, Jiali; Li, Hui; Zhang, Bijun; de Bono, Bernard; Mevissen, Heinz-Theodor; Hofmann-Apitius, Martin

    2013-11-22

    Large biomedical simulation initiatives, such as the Virtual Physiological Human (VPH), are substantially dependent on controlled vocabularies to facilitate the exchange of information, of data and of models. Hindering these initiatives is a lack of a comprehensive ontology that covers the essential concepts of the simulation domain. We propose a first version of a newly constructed ontology, HuPSON, as a basis for shared semantics and interoperability of simulations, of models, of algorithms and of other resources in this domain. The ontology is based on the Basic Formal Ontology, and adheres to the MIREOT principles; the constructed ontology has been evaluated via structural features, competency questions and use case scenarios.The ontology is freely available at: http://www.scai.fraunhofer.de/en/business-research-areas/bioinformatics/downloads.html (owl files) and http://bishop.scai.fraunhofer.de/scaiview/ (browser). HuPSON provides a framework for a) annotating simulation experiments, b) retrieving relevant information that are required for modelling, c) enabling interoperability of algorithmic approaches used in biomedical simulation, d) comparing simulation results and e) linking knowledge-based approaches to simulation-based approaches. It is meant to foster a more rapid uptake of semantic technologies in the modelling and simulation domain, with particular focus on the VPH domain.

  4. Flexible time domain averaging technique

    Science.gov (United States)

    Zhao, Ming; Lin, Jing; Lei, Yaguo; Wang, Xiufeng

    2013-09-01

    Time domain averaging(TDA) is essentially a comb filter, it cannot extract the specified harmonics which may be caused by some faults, such as gear eccentric. Meanwhile, TDA always suffers from period cutting error(PCE) to different extent. Several improved TDA methods have been proposed, however they cannot completely eliminate the waveform reconstruction error caused by PCE. In order to overcome the shortcomings of conventional methods, a flexible time domain averaging(FTDA) technique is established, which adapts to the analyzed signal through adjusting each harmonic of the comb filter. In this technique, the explicit form of FTDA is first constructed by frequency domain sampling. Subsequently, chirp Z-transform(CZT) is employed in the algorithm of FTDA, which can improve the calculating efficiency significantly. Since the signal is reconstructed in the continuous time domain, there is no PCE in the FTDA. To validate the effectiveness of FTDA in the signal de-noising, interpolation and harmonic reconstruction, a simulated multi-components periodic signal that corrupted by noise is processed by FTDA. The simulation results show that the FTDA is capable of recovering the periodic components from the background noise effectively. Moreover, it can improve the signal-to-noise ratio by 7.9 dB compared with conventional ones. Experiments are also carried out on gearbox test rigs with chipped tooth and eccentricity gear, respectively. It is shown that the FTDA can identify the direction and severity of the eccentricity gear, and further enhances the amplitudes of impulses by 35%. The proposed technique not only solves the problem of PCE, but also provides a useful tool for the fault symptom extraction of rotating machinery.

  5. Analysis of Macro-micro Simulation Models for Service-Oriented Public Platform: Coordination of Networked Services and Measurement of Public Values

    Science.gov (United States)

    Kinoshita, Yumiko

    When service sectors are a major driver for the growth of the world economy, we are challenged to implement service-oriented infrastructure as e-Gov platform to achieve further growth and innovation for both developed and developing countries. According to recent trends in service industry, it is clarified that main factors for the growth of service sectors are investment into knowledge, trade, and the enhanced capacity of micro, small, and medium-sized enterprises (MSMEs). In addition, the design and deployment of public service platform require appropriate evaluation methodology. Reflecting these observations, this paper proposes macro-micro simulation approach to assess public values (PV) focusing on MSMEs. Linkage aggregate variables (LAVs) are defined to show connection between macro and micro impacts of public services. As a result, the relationship of demography, business environment, macro economy, and socio-economic impact are clarified and their values are quantified from the behavioral perspectives of citizens and firms.

  6. Opening of energy markets: consequences on the missions of public utility and of security of supplies in the domain of electric power and gas

    International Nuclear Information System (INIS)

    2001-01-01

    This conference was jointly organized by the International Energy Agency (IEA) and the French ministry of economy, finances, and industry (general direction of energy and raw materials, DGEMP). It was organized in 6 sessions dealing with: 1 - the public utility in the domain of energy: definition of the public utility missions, experience feedback about liberalized markets, public utility obligation and pricing regulation; 2 - the new US energy policy and the lessons learnt from the California crisis; 3 - the security of electric power supplies: concepts of security of supplies, opinion of operators, security of power supplies versus liberalization and investments; 4 - security of gas supplies: markets liberalization and investments, long-term contracts and security of supplies; 5 - debate: how to integrate the objectives of public utility and of security of supplies in a competing market; 6 - conclusions. This document brings together the available talks and transparencies presented at the conference. (J.S.)

  7. Hydrological model performance and parameter estimation in the wavelet-domain

    Directory of Open Access Journals (Sweden)

    B. Schaefli

    2009-10-01

    Full Text Available This paper proposes a method for rainfall-runoff model calibration and performance analysis in the wavelet-domain by fitting the estimated wavelet-power spectrum (a representation of the time-varying frequency content of a time series of a simulated discharge series to the one of the corresponding observed time series. As discussed in this paper, calibrating hydrological models so as to reproduce the time-varying frequency content of the observed signal can lead to different results than parameter estimation in the time-domain. Therefore, wavelet-domain parameter estimation has the potential to give new insights into model performance and to reveal model structural deficiencies. We apply the proposed method to synthetic case studies and a real-world discharge modeling case study and discuss how model diagnosis can benefit from an analysis in the wavelet-domain. The results show that for the real-world case study of precipitation – runoff modeling for a high alpine catchment, the calibrated discharge simulation captures the dynamics of the observed time series better than the results obtained through calibration in the time-domain. In addition, the wavelet-domain performance assessment of this case study highlights the frequencies that are not well reproduced by the model, which gives specific indications about how to improve the model structure.

  8. A simulation study of the impact of the public-private partnership strategy on the performance of transport infrastructure.

    Science.gov (United States)

    Huang, Zhengfeng; Zheng, Pengjun; Ma, Yanqiang; Li, Xuan; Xu, Wenjun; Zhu, Wanlu

    2016-01-01

    The choice of investment strategy has a great impact on the performance of transport infrastructure. Positive projects such as the "Subway plus Property" model in Hong Kong have created sustainable financial profits for the public transport projects. Owing to a series of public debt and other constraints, public-private partnership (PPP) was introduced as an innovative investment model to address this issue and help develop transport infrastructure. Yet, few studies provide a deeper understanding of relationships between PPP strategy and the performance of such transport projects (particularly the whole transport system). This paper defines the research scope as a regional network of freeway. With a popular PPP model, travel demand prediction method, and relevant parameters as input, agents in a simulation framework can simulate the choice of PPP freeway over time. The simulation framework can be used to analyze the relationship between the PPP strategy and performance of the regional freeway network. This study uses the Freeway Network of Yangtze River Delta (FN-YRD) in China as the context. The results demonstrate the value of using simulation models of complex transportation systems to help decision makers choose the right PPP projects. Such a tool is viewed as particularly important given the ongoing transformation of functions of the Chinese transportation sector, including franchise rights of transport projects, and freeway charging mechanism.

  9. Validation process of simulation model

    International Nuclear Information System (INIS)

    San Isidro, M. J.

    1998-01-01

    It is presented a methodology on empirical validation about any detailed simulation model. This king of validation it is always related with an experimental case. The empirical validation has a residual sense, because the conclusions are based on comparisons between simulated outputs and experimental measurements. This methodology will guide us to detect the fails of the simulation model. Furthermore, it can be used a guide in the design of posterior experiments. Three steps can be well differentiated: Sensitivity analysis. It can be made with a DSA, differential sensitivity analysis, and with a MCSA, Monte-Carlo sensitivity analysis. Looking the optimal domains of the input parameters. It has been developed a procedure based on the Monte-Carlo methods and Cluster techniques, to find the optimal domains of these parameters. Residual analysis. This analysis has been made on the time domain and on the frequency domain, it has been used the correlation analysis and spectral analysis. As application of this methodology, it is presented the validation carried out on a thermal simulation model on buildings, Esp., studying the behavior of building components on a Test Cell of LECE of CIEMAT. (Author) 17 refs

  10. On the influence of simulated SST warming on rainfall projections in the Indo-Pacific domain: an AGCM study

    Science.gov (United States)

    Zhang, Huqiang; Zhao, Y.; Moise, A.; Ye, H.; Colman, R.; Roff, G.; Zhao, M.

    2018-02-01

    Significant uncertainty exists in regional climate change projections, particularly for rainfall and other hydro-climate variables. In this study, we conduct a series of Atmospheric General Circulation Model (AGCM) experiments with different future sea surface temperature (SST) warming simulated by a range of coupled climate models. They allow us to assess the extent to which uncertainty from current coupled climate model rainfall projections can be attributed to their simulated SST warming. Nine CMIP5 model-simulated global SST warming anomalies have been super-imposed onto the current SSTs simulated by the Australian climate model ACCESS1.3. The ACCESS1.3 SST-forced experiments closely reproduce rainfall means and interannual variations as in its own fully coupled experiments. Although different global SST warming intensities explain well the inter-model difference in global mean precipitation changes, at regional scales the SST influence vary significantly. SST warming explains about 20-25% of the patterns of precipitation changes in each of the four/five models in its rainfall projections over the oceans in the Indo-Pacific domain, but there are also a couple of models in which different SST warming explains little of their precipitation pattern changes. The influence is weaker again for rainfall changes over land. Roughly similar levels of contribution can be attributed to different atmospheric responses to SST warming in these models. The weak SST influence in our study could be due to the experimental setup applied: superimposing different SST warming anomalies onto the same SSTs simulated for current climate by ACCESS1.3 rather than directly using model-simulated past and future SSTs. Similar modelling and analysis from other modelling groups with more carefully designed experiments are needed to tease out uncertainties caused by different SST warming patterns, different SST mean biases and different model physical/dynamical responses to the same underlying

  11. Climiate Resilience Screening Index and Domain Scores

    Data.gov (United States)

    U.S. Environmental Protection Agency — CRSI and related-domain scores for all 50 states and 3135 counties in the U.S. This dataset is not publicly accessible because: They are already available within the...

  12. Regional climate model sensitivity to domain size

    Science.gov (United States)

    Leduc, Martin; Laprise, René

    2009-05-01

    Regional climate models are increasingly used to add small-scale features that are not present in their lateral boundary conditions (LBC). It is well known that the limited area over which a model is integrated must be large enough to allow the full development of small-scale features. On the other hand, integrations on very large domains have shown important departures from the driving data, unless large scale nudging is applied. The issue of domain size is studied here by using the “perfect model” approach. This method consists first of generating a high-resolution climatic simulation, nicknamed big brother (BB), over a large domain of integration. The next step is to degrade this dataset with a low-pass filter emulating the usual coarse-resolution LBC. The filtered nesting data (FBB) are hence used to drive a set of four simulations (LBs for Little Brothers), with the same model, but on progressively smaller domain sizes. The LB statistics for a climate sample of four winter months are compared with BB over a common region. The time average (stationary) and transient-eddy standard deviation patterns of the LB atmospheric fields generally improve in terms of spatial correlation with the reference (BB) when domain gets smaller. The extraction of the small-scale features by using a spectral filter allows detecting important underestimations of the transient-eddy variability in the vicinity of the inflow boundary, which can penalize the use of small domains (less than 100 × 100 grid points). The permanent “spatial spin-up” corresponds to the characteristic distance that the large-scale flow needs to travel before developing small-scale features. The spin-up distance tends to grow in size at higher levels in the atmosphere.

  13. Regional climate model sensitivity to domain size

    Energy Technology Data Exchange (ETDEWEB)

    Leduc, Martin [Universite du Quebec a Montreal, Canadian Regional Climate Modelling and Diagnostics (CRCMD) Network, ESCER Centre, Montreal (Canada); UQAM/Ouranos, Montreal, QC (Canada); Laprise, Rene [Universite du Quebec a Montreal, Canadian Regional Climate Modelling and Diagnostics (CRCMD) Network, ESCER Centre, Montreal (Canada)

    2009-05-15

    Regional climate models are increasingly used to add small-scale features that are not present in their lateral boundary conditions (LBC). It is well known that the limited area over which a model is integrated must be large enough to allow the full development of small-scale features. On the other hand, integrations on very large domains have shown important departures from the driving data, unless large scale nudging is applied. The issue of domain size is studied here by using the ''perfect model'' approach. This method consists first of generating a high-resolution climatic simulation, nicknamed big brother (BB), over a large domain of integration. The next step is to degrade this dataset with a low-pass filter emulating the usual coarse-resolution LBC. The filtered nesting data (FBB) are hence used to drive a set of four simulations (LBs for Little Brothers), with the same model, but on progressively smaller domain sizes. The LB statistics for a climate sample of four winter months are compared with BB over a common region. The time average (stationary) and transient-eddy standard deviation patterns of the LB atmospheric fields generally improve in terms of spatial correlation with the reference (BB) when domain gets smaller. The extraction of the small-scale features by using a spectral filter allows detecting important underestimations of the transient-eddy variability in the vicinity of the inflow boundary, which can penalize the use of small domains (less than 100 x 100 grid points). The permanent ''spatial spin-up'' corresponds to the characteristic distance that the large-scale flow needs to travel before developing small-scale features. The spin-up distance tends to grow in size at higher levels in the atmosphere. (orig.)

  14. Transcript structure and domain display: a customizable transcript visualization tool.

    Science.gov (United States)

    Watanabe, Kenneth A; Ma, Kaiwang; Homayouni, Arielle; Rushton, Paul J; Shen, Qingxi J

    2016-07-01

    Transcript Structure and Domain Display (TSDD) is a publicly available, web-based program that provides publication quality images of transcript structures and domains. TSDD is capable of producing transcript structures from GFF/GFF3 and BED files. Alternatively, the GFF files of several model organisms have been pre-loaded so that users only needs to enter the locus IDs of the transcripts to be displayed. Visualization of transcripts provides many benefits to researchers, ranging from evolutionary analysis of DNA-binding domains to predictive function modeling. TSDD is freely available for non-commercial users at http://shenlab.sols.unlv.edu/shenlab/software/TSD/transcript_display.html : jeffery.shen@unlv.nevada.edu. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  15. Quantifying information transfer by protein domains: Analysis of the Fyn SH2 domain structure

    Directory of Open Access Journals (Sweden)

    Serrano Luis

    2008-10-01

    Full Text Available Abstract Background Efficient communication between distant sites within a protein is essential for cooperative biological response. Although often associated with large allosteric movements, more subtle changes in protein dynamics can also induce long-range correlations. However, an appropriate formalism that directly relates protein structural dynamics to information exchange between functional sites is still lacking. Results Here we introduce a method to analyze protein dynamics within the framework of information theory and show that signal transduction within proteins can be considered as a particular instance of communication over a noisy channel. In particular, we analyze the conformational correlations between protein residues and apply the concept of mutual information to quantify information exchange. Mapping out changes of mutual information on the protein structure then allows visualizing how distal communication is achieved. We illustrate the approach by analyzing information transfer by the SH2 domain of Fyn tyrosine kinase, obtained from Monte Carlo dynamics simulations. Our analysis reveals that the Fyn SH2 domain forms a noisy communication channel that couples residues located in the phosphopeptide and specificity binding sites and a number of residues at the other side of the domain near the linkers that connect the SH2 domain to the SH3 and kinase domains. We find that for this particular domain, communication is affected by a series of contiguous residues that connect distal sites by crossing the core of the SH2 domain. Conclusion As a result, our method provides a means to directly map the exchange of biological information on the structure of protein domains, making it clear how binding triggers conformational changes in the protein structure. As such it provides a structural road, next to the existing attempts at sequence level, to predict long-range interactions within protein structures.

  16. Finite Difference Time Domain (FDTD) Simulations Using Graphics Processors

    National Research Council Canada - National Science Library

    Adams, Samuel; Payne, Jason; Boppana, Rajendra

    2007-01-01

    .... This paper shows how GPUs can be used to greatly speedup FDTD simulations. The main objective is to leverage GPU processing power for FDTD update calculations and complete computationally expensive simulations in reasonable time...

  17. Domain configuration and magnetization switching in arrays of permalloy nanostripes

    International Nuclear Information System (INIS)

    Iglesias-Freire, Ó.; Jaafar, M.; Pérez, L.; Abril, O. de; Vázquez, M.; Asenjo, A.

    2014-01-01

    The proximity effect in the collective behavior of arrays of magnetic nanostripes is currently a subject of intensive research. The imperative of reducing the size and distances between elements in order to achieve higher storage capacity, faster access to the information as well as low energy consumption, brings consequences about the isolated behavior of the elements and devices. Parallel to each other permalloy nanostripes with high aspect ratio have been prepared by the nanolithography technique. The evolution of the closure domains and the magnetization direction in individual nanostructures has been imaged under applied magnetic fields using Variable Field Magnetic Force Microscopy. Moreover, the magnetostatic interactions between neighboring elements and the proximity effects in arrays of such nanostructures have been quantitatively analyzed by Magnetic Force Microscopy and micromagnetic simulations. The agreement between simulations and the experimental results allows us to conclude the relevance of those interactions depending on the geometry characteristics. In particular, results suggest that the magnetostatic coupling between adjacent nanostripes vanishes for separation distances higher than 500 nm. - Highlights: • A shape anisotropy-induced single domain remanent state is present in the stripes. Closure domains are formed under external fields. • Separation distances between neighboring stripes (500 nm) are enough to overcome the magnetostatic coupling and avoid a multi-stripe character. • Micromagnetic simulations predict critical distances of around 500 nm for the onset of magnetostatic coupling between neighboring elements. • Simulations predict stripes with a small longitudinal separation to behave as single elements, with domain walls “jumping” between them

  18. Domain configuration and magnetization switching in arrays of permalloy nanostripes

    Energy Technology Data Exchange (ETDEWEB)

    Iglesias-Freire, Ó., E-mail: aasenjo@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, CSIC, Sor Juana Inés de la Cruz 3, Madrid 28049 (Spain); Jaafar, M. [Instituto de Ciencia de Materiales de Madrid, CSIC, Sor Juana Inés de la Cruz 3, Madrid 28049 (Spain); Dpto. Física de la Materia Condensada, Universidad Autónoma de Madrid, Cantoblanco 28049 (Spain); Pérez, L. [Dpto. Física de Materiales, Universidad Complutense de Madrid, Madrid 28040 (Spain); Abril, O. de [Dpto. Física e Instalaciones Aplicadas a la Edificación, al Medio Ambiente y al Urbanismo, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Vázquez, M.; Asenjo, A. [Instituto de Ciencia de Materiales de Madrid, CSIC, Sor Juana Inés de la Cruz 3, Madrid 28049 (Spain)

    2014-04-15

    The proximity effect in the collective behavior of arrays of magnetic nanostripes is currently a subject of intensive research. The imperative of reducing the size and distances between elements in order to achieve higher storage capacity, faster access to the information as well as low energy consumption, brings consequences about the isolated behavior of the elements and devices. Parallel to each other permalloy nanostripes with high aspect ratio have been prepared by the nanolithography technique. The evolution of the closure domains and the magnetization direction in individual nanostructures has been imaged under applied magnetic fields using Variable Field Magnetic Force Microscopy. Moreover, the magnetostatic interactions between neighboring elements and the proximity effects in arrays of such nanostructures have been quantitatively analyzed by Magnetic Force Microscopy and micromagnetic simulations. The agreement between simulations and the experimental results allows us to conclude the relevance of those interactions depending on the geometry characteristics. In particular, results suggest that the magnetostatic coupling between adjacent nanostripes vanishes for separation distances higher than 500 nm. - Highlights: • A shape anisotropy-induced single domain remanent state is present in the stripes. Closure domains are formed under external fields. • Separation distances between neighboring stripes (500 nm) are enough to overcome the magnetostatic coupling and avoid a multi-stripe character. • Micromagnetic simulations predict critical distances of around 500 nm for the onset of magnetostatic coupling between neighboring elements. • Simulations predict stripes with a small longitudinal separation to behave as single elements, with domain walls “jumping” between them.

  19. Domain patterns and hysteresis in phase-transforming solids: analysis and numerical simulations of a sharp interface dissipative model via phase-field approximation

    Czech Academy of Sciences Publication Activity Database

    DeSimone, A.; Kružík, Martin

    2013-01-01

    Roč. 8, č. 2 (2013), s. 481-499 ISSN 1556-1801 R&D Projects: GA ČR(CZ) GAP201/12/0671 Institutional support: RVO:67985556 Keywords : hysteresis * shape memory Subject RIV: BA - General Mathematics Impact factor: 0.952, year: 2013 http://library.utia.cas.cz/separaty/2013/MTR/kruzik-domain patterns and hysteresis in phase-transforming solids analysis and numerical simulations of a sharp interface dissipative model via phase-field approximation.pdf

  20. Finite-Difference Time-Domain Simulation of Light Propagation in 2D Periodic and Quasi-Periodic Photonic Structures

    Directory of Open Access Journals (Sweden)

    N. Dadashzadeh

    2013-09-01

    Full Text Available Ultra-short pulse is a promising technology for achieving ultra-high data rate transmission which is required to follow the increased demand of data transport over an optical communication system. Therefore, the propagation of such type of pulses and the effects that it may suffer during its transmission through an optical waveguide has received a great deal of attention in the recent years. We provide an overview of recent theoretical developments in a numerical modeling of Maxwell's equations to analyze the propagation of short laser pulses in photonic structures. The process of short light pulse propagation through 2D periodic and quasi-periodic photonic structures is simulated based on Finite-Difference Time-Domain calculations of Maxwell’s equations.

  1. Open boundaries for particle beams within fit-simulations

    International Nuclear Information System (INIS)

    Balk, M.C.; Schuhmann, R.; Weiland, T.

    2006-01-01

    A method is proposed to simulate open boundary conditions for charged particle beams with v< c in time domain or frequency domain within the Finite Integration Technique (FIT). Inside the calculation domain the moving charged particles are represented by a line current. Further, the simulated field components at the boundary of the calculation domain have to be modified for an undisturbed transmission of the space-charge field. This can be realised by a 'scattered field' formulation. The method is verified by several calculations

  2. ARTS, the Atmospheric Radiative Transfer Simulator - version 2.2, the planetary toolbox edition

    Science.gov (United States)

    Buehler, Stefan A.; Mendrok, Jana; Eriksson, Patrick; Perrin, Agnès; Larsson, Richard; Lemke, Oliver

    2018-04-01

    This article describes the latest stable release (version 2.2) of the Atmospheric Radiative Transfer Simulator (ARTS), a public domain software for radiative transfer simulations in the thermal spectral range (microwave to infrared). The main feature of this release is a planetary toolbox that allows simulations for the planets Venus, Mars, and Jupiter, in addition to Earth. This required considerable model adaptations, most notably in the area of gaseous absorption calculations. Other new features are also described, notably radio link budgets (including the effect of Faraday rotation that changes the polarization state) and the treatment of Zeeman splitting for oxygen spectral lines. The latter is relevant, for example, for the various operational microwave satellite temperature sensors of the Advanced Microwave Sounding Unit (AMSU) family.

  3. Kinetics of slow domain growth in complex systems

    International Nuclear Information System (INIS)

    Lindgard, P.-A.; Castan, T.

    1989-01-01

    The domain growth after a quench to very low and to finite temperatures T is analyzed by scaling theory and Monte Carlo simulation. The model studied has continuous variables, non-conserved order parameter and has two kinds of domain walls: sharp, straight stacking faults and broad curved soliton-like walls. For quenches to higher temperatures the growth exponent is found to approach the classical Allen-Cahn exponent n = 1/2. (A.C.A.S.) [pt

  4. Fluctuation and dipolar interaction effects on the pinning of domain walls

    International Nuclear Information System (INIS)

    Chui, S.T.

    2001-01-01

    We discuss the effect of the dipolar interaction on the pinning of domain walls. Domain walls are usually pinned near the boundaries between grains. Magnetic charges accumulated at the domain wall make the wall more unstable and easier to depin. We discuss how the grain-orientation and thermal fluctuations affect these magnetic charges and hence the depinning of the domain walls. Our results are illustrated by finite temperature Monte Carlo simulation on periodic arrays of large cells separated by walls consisting of faces of pyramids

  5. Parallel finite elements with domain decomposition and its pre-processing

    International Nuclear Information System (INIS)

    Yoshida, A.; Yagawa, G.; Hamada, S.

    1993-01-01

    This paper describes a parallel finite element analysis using a domain decomposition method, and the pre-processing for the parallel calculation. Computer simulations are about to replace experiments in various fields, and the scale of model to be simulated tends to be extremely large. On the other hand, computational environment has drastically changed in these years. Especially, parallel processing on massively parallel computers or computer networks is considered to be promising techniques. In order to achieve high efficiency on such parallel computation environment, large granularity of tasks, a well-balanced workload distribution are key issues. It is also important to reduce the cost of pre-processing in such parallel FEM. From the point of view, the authors developed the domain decomposition FEM with the automatic and dynamic task-allocation mechanism and the automatic mesh generation/domain subdivision system for it. (author)

  6. Open boundaries for particle beams within fit-simulations

    Energy Technology Data Exchange (ETDEWEB)

    Balk, M.C. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany)]. E-mail: balk@temf.tu-darmstadt.de; Schuhmann, R. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany); Weiland, T. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany)

    2006-03-01

    A method is proposed to simulate open boundary conditions for charged particle beams with vdomain or frequency domain within the Finite Integration Technique (FIT). Inside the calculation domain the moving charged particles are represented by a line current. Further, the simulated field components at the boundary of the calculation domain have to be modified for an undisturbed transmission of the space-charge field. This can be realised by a 'scattered field' formulation. The method is verified by several calculations.

  7. Transparency and Documentation in Simulations of Infectious Disease Outbreaks: Towards Evidence-Based Public Health Decisions and Communications

    Science.gov (United States)

    Ekberg, Joakim; Timpka, Toomas; Morin, Magnus; Jenvald, Johan; Nyce, James M.; Gursky, Elin A.; Eriksson, Henrik

    Computer simulations have emerged as important tools in the preparation for outbreaks of infectious disease. To support the collaborative planning and responding to the outbreaks, reports from simulations need to be transparent (accessible) with regard to the underlying parametric settings. This paper presents a design for generation of simulation reports where the background settings used in the simulation models are automatically visualized. We extended the ontology-management system Protégé to tag different settings into categories, and included these in report generation in parallel to the simulation outcomes. The report generator takes advantage of an XSLT specification and collects the documentation of the particular simulation settings into abridged XMLs including also summarized results. We conclude that even though inclusion of critical background settings in reports may not increase the accuracy of infectious disease simulations, it can prevent misunderstandings and less than optimal public health decisions.

  8. Structural, stability, dynamic and binding properties of the ALS-causing T46I mutant of the hVAPB MSP domain as revealed by NMR and MD simulations.

    Directory of Open Access Journals (Sweden)

    Shixiong Lua

    Full Text Available T46I is the second mutation on the hVAPB MSP domain which was recently identified from non-Brazilian kindred to cause a familial amyotrophic lateral sclerosis (ALS. Here using CD, NMR and molecular dynamics (MD simulations, we characterized the structure, stability, dynamics and binding capacity of the T46I-MSP domain. The results reveal: 1 unlike P56S which we previously showed to completely eliminate the native MSP structure, T46I leads to no significant disruption of the native secondary and tertiary structures, as evidenced from its far-UV CD spectrum, as well as Cα and Cβ NMR chemical shifts. 2 Nevertheless, T46I does result in a reduced thermodynamic stability and loss of the cooperative urea-unfolding transition. As such, the T46I-MSP domain is more prone to aggregation than WT at high protein concentrations and temperatures in vitro, which may become more severe in the crowded cellular environments. 3 T46I only causes a 3-fold affinity reduction to the Nir2 peptide, but a significant elimination of its binding to EphA4. 4 EphA4 and Nir2 peptide appear to have overlapped binding interfaces on the MSP domain, which strongly implies that two signaling networks may have a functional interplay in vivo. 5 As explored by both H/D exchange and MD simulations, the MSP domain is very dynamic, with most loop residues and many residues on secondary structures highly fluctuated or/and exposed to bulk solvent. Although T46I does not alter overall dynamics, it does trigger increased dynamics of several local regions of the MSP domain which are implicated in binding to EphA4 and Nir2 peptide. Our study provides the structural and dynamic understanding of the T46I-causing ALS; and strongly highlights the possibility that the interplay of two signaling networks mediated by the FFAT-containing proteins and Eph receptors may play a key role in ALS pathogenesis.

  9. Accurate calibration of the velocity-dependent one-scale model for domain walls

    International Nuclear Information System (INIS)

    Leite, A.M.M.; Martins, C.J.A.P.; Shellard, E.P.S.

    2013-01-01

    We study the asymptotic scaling properties of standard domain wall networks in several cosmological epochs. We carry out the largest field theory simulations achieved to date, with simulation boxes of size 2048 3 , and confirm that a scale-invariant evolution of the network is indeed the attractor solution. The simulations are also used to obtain an accurate calibration for the velocity-dependent one-scale model for domain walls: we numerically determine the two free model parameters to have the values c w =0.34±0.16 and k w =0.98±0.07, which are of higher precision than (but in agreement with) earlier estimates.

  10. Accurate calibration of the velocity-dependent one-scale model for domain walls

    Energy Technology Data Exchange (ETDEWEB)

    Leite, A.M.M., E-mail: up080322016@alunos.fc.up.pt [Centro de Astrofisica, Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal); Ecole Polytechnique, 91128 Palaiseau Cedex (France); Martins, C.J.A.P., E-mail: Carlos.Martins@astro.up.pt [Centro de Astrofisica, Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal); Shellard, E.P.S., E-mail: E.P.S.Shellard@damtp.cam.ac.uk [Department of Applied Mathematics and Theoretical Physics, Centre for Mathematical Sciences, University of Cambridge, Wilberforce Road, Cambridge CB3 0WA (United Kingdom)

    2013-01-08

    We study the asymptotic scaling properties of standard domain wall networks in several cosmological epochs. We carry out the largest field theory simulations achieved to date, with simulation boxes of size 2048{sup 3}, and confirm that a scale-invariant evolution of the network is indeed the attractor solution. The simulations are also used to obtain an accurate calibration for the velocity-dependent one-scale model for domain walls: we numerically determine the two free model parameters to have the values c{sub w}=0.34{+-}0.16 and k{sub w}=0.98{+-}0.07, which are of higher precision than (but in agreement with) earlier estimates.

  11. 22nd International Conference on Domain Decomposition Methods

    CERN Document Server

    Gander, Martin; Halpern, Laurence; Krause, Rolf; Pavarino, Luca

    2016-01-01

    These are the proceedings of the 22nd International Conference on Domain Decomposition Methods, which was held in Lugano, Switzerland. With 172 participants from over 24 countries, this conference continued a long-standing tradition of internationally oriented meetings on Domain Decomposition Methods. The book features a well-balanced mix of established and new topics, such as the manifold theory of Schwarz Methods, Isogeometric Analysis, Discontinuous Galerkin Methods, exploitation of modern HPC architectures, and industrial applications. As the conference program reflects, the growing capabilities in terms of theory and available hardware allow increasingly complex non-linear and multi-physics simulations, confirming the tremendous potential and flexibility of the domain decomposition concept.

  12. Quantifying information transfer by protein domains: Analysis of the Fyn SH2 domain structure

    DEFF Research Database (Denmark)

    Lenaerts, Tom; Ferkinghoff-Borg, Jesper; Stricher, Francois

    2008-01-01

    instance of communication over a noisy channel. In particular, we analyze the conformational correlations between protein residues and apply the concept of mutual information to quantify information exchange. Mapping out changes of mutual information on the protein structure then allows visualizing how...... distal communication is achieved. We illustrate the approach by analyzing information transfer by the SH2 domain of Fyn tyrosine kinase, obtained from Monte Carlo dynamics simulations. Our analysis reveals that the Fyn SH2 domain forms a noisy communication channel that couples residues located......Background: Efficient communication between distant sites within a protein is essential for cooperative biological response. Although often associated with large allosteric movements, more subtle changes in protein dynamics can also induce long-range correlations. However, an appropriate formalism...

  13. Optical network control plane for multi-domain networking

    DEFF Research Database (Denmark)

    Manolova, Anna Vasileva

    This thesis focuses on multi-domain routing for traffice engineering and survivability support in optical transport networks under the Generalized Multi-Protocol Label Switching (GMPLS) control framework. First, different extensions to the Border Gateway Protocol for multi-domain Traffic...... process are not enough for efficient TE in mesh multi-domain networks. Enhancing the protocol with multi-path dissemination capability, combined with the employment of an end-to-end TE metric proves to be a highly efficient solution. Simulation results show good performance characteristics of the proposed...... is not as essential for improved network performance as the length of the provided paths. Second, the issue of multi-domain survivability support is analyzed. An AS-disjoint paths is beneficial not only for resilience support, but also for facilitating adequate network reactions to changes in the network, which...

  14. Parallel Object Oriented MD Simulation Program for Long Time Simulations of Metallic Glasses and Undercooled Liquids

    Science.gov (United States)

    Böddeker, B.; Teichler, H.

    The MD simulation program TABB is motivated by the need of long time simulations for the investigation of slow processes near the glass transition of glass forming alloys. TABB is written in C++ with a high degree of flexibility: TABB allows the use of any short ranged pair potentials or EAM potentials, by generating and using a spline representation of all functions and their derivatives. TABB supports several numerical integration algorithms like the Runge-Kotta or the modified Gear-predictor-corrector algorithm of order five. The boundary conditions can be chosen to resemble the geometry of bulk materials or films. The simulation box length or the pressure can be fixed for each dimension separately. TABB may be used in isokinetic, isoenergeric or canonic (with random forces) mode. TABB contains a simple instruction interpreter to easily control the parameters and options during the simulation. The same source code can be compiled either for workstations or for parallel computers. The main optimization goal of TABB is to allow long time simulations of medium or small sized systems. To make this possible, much attention is spent on the optimized communication between the nodes. TABB uses a domain decomposition procedure. To use many nodes with a small system, the domain size has to be small compared to the range of particle interactions. In the limit of many nodes for only few atoms, the bottle neck of communication is the latency time. TABB minimizes the number of pairs of domains containing atoms that interact between these domains. This procedure minimizes the need of communication calls between pairs of nodes. TABB decides automatically, to how many, and to which directions the decomposition shall be applied. E.g., in the case of one dimensional domain decomposition, the simulation box is only split into "slabs" along a selected direction. The three dimensional domain decomposition is best with respect to the number of interacting domains only for simulations

  15. CELLS v1.0: updated and parallelized version of an electrical scheme to simulate multiple electrified clouds and flashes over large domains

    Directory of Open Access Journals (Sweden)

    C. Barthe

    2012-01-01

    Full Text Available The paper describes the fully parallelized electrical scheme CELLS which is suitable to simulate explicitly electrified storm systems on parallel computers. Our motivation here is to show that a cloud electricity scheme can be developed for use on large grids with complex terrain. Large computational domains are needed to perform real case meteorological simulations with many independent convective cells.

    The scheme computes the bulk electric charge attached to each cloud particle and hydrometeor. Positive and negative ions are also taken into account. Several parametrizations of the dominant non-inductive charging process are included and an inductive charging process as well. The electric field is obtained by inverting the Gauss equation with an extension to terrain-following coordinates. The new feature concerns the lightning flash scheme which is a simplified version of an older detailed sequential scheme. Flashes are composed of a bidirectional leader phase (vertical extension from the triggering point and a phase obeying a fractal law (with horizontal extension on electrically charged zones. The originality of the scheme lies in the way the branching phase is treated to get a parallel code.

    The complete electrification scheme is tested for the 10 July 1996 STERAO case and for the 21 July 1998 EULINOX case. Flash characteristics are analysed in detail and additional sensitivity experiments are performed for the STERAO case. Although the simulations were run for flat terrain conditions, they show that the model behaves well on multiprocessor computers. This opens a wide area of application for this electrical scheme with the next objective of running real meterological case on large domains.

  16. Psychometric characteristics of a public-domain self-report measure of vocational interests: the Oregon Vocational Interest Scales.

    Science.gov (United States)

    Pozzebon, Julie A; Visser, Beth A; Ashton, Michael C; Lee, Kibeom; Goldberg, Lewis R

    2010-03-01

    We investigated the psychometric properties of the Oregon Vocational Interest Scales (ORVIS), a brief public-domain alternative to commercial inventories, in a large community sample and in a college sample. In both samples, we examined the factor structure, scale intercorrelations, and personality correlates of the ORVIS, and in the community sample, we also examined the correlations of the ORVIS scales with cognitive abilities and with the scales of a longer, proprietary interest survey. In both samples, all 8 scales-Leadership, Organization, Altruism, Creativity, Analysis, Producing, Adventuring, and Erudition-showed wide variation in scores, high internal-consistency reliabilities, and a pattern of high convergent and low discriminant correlations with the scales of the proprietary interest survey. Overall, the results support the construct validity of the scales, which are recommended for use in research on vocational interests and other individual differences.

  17. La apropiación del dominio público y las posibilidades de acceso a los bienes culturales | The appropriation of the public domain and the possibilities of access to cultural goods

    Directory of Open Access Journals (Sweden)

    Joan Ramos Toledano

    2017-06-01

    Full Text Available Resumen: Las normas de propiedad intelectual y copyright prevén un periodo de protección otorgando unos derechos económicos exclusivos y temporales. Pasado un plazo determinado, las obras protegidas entran en lo que se denomina dominio público. Éste suele ser considerado como el momento en el que los bienes culturales pasan a estar bajo el dominio y control de la sociedad en conjunto. El presente trabajo pretende argumentar que, dado nuestro actual sistema económico, en realidad el dominio público funciona más como una posibilidad de negocio para determinadas empresas que como una verdadera opción para que el público pueda acceder a las obras.   Abstract: The legislation of continental intellectual property and copyright provide for a period of protection granting exclusive and temporary economic rights. After a certain period, protected works enter into what is called the public domain. This is often considered as the moment in which the cultural goods come under the control and domain of society as a whole. The present paper pretends to argue that, given our current economic system, the public domain actually functions more as a business opportunity for certain companies than as a real option for the public to access artistic and intellectual works.

  18. Magnetic hysteresis and domain wall dynamics in single chain magnets with antiferromagnetic interchain coupling

    Energy Technology Data Exchange (ETDEWEB)

    Bukharov, A A; Ovchinnikov, A S; Baranov, N V [Department of Physics, Ural State University, Ekaterinburg, 620083 (Russian Federation); Inoue, K [Institute for Advanced Materials Research, Hiroshima University, Hiroshima (Japan)

    2010-11-03

    Using Monte Carlo simulations we investigate magnetic hysteresis in two- and three-dimensional systems of weakly antiferromagnetically coupled spin chains based on a scenario of domain wall (kink) motion within the chains. By adapting the model of walkers to simulate the domain wall dynamics and using the Ising-like dipole-dipole model, we study the effects of interchain coupling, temperature and anisotropy axis direction on hysteresis curves.

  19. Scalable Domain Decomposed Monte Carlo Particle Transport

    Energy Technology Data Exchange (ETDEWEB)

    O' Brien, Matthew Joseph [Univ. of California, Davis, CA (United States)

    2013-12-05

    In this dissertation, we present the parallel algorithms necessary to run domain decomposed Monte Carlo particle transport on large numbers of processors (millions of processors). Previous algorithms were not scalable, and the parallel overhead became more computationally costly than the numerical simulation.

  20. Selected ICAR Data from the SAPA-Project: Development and Initial Validation of a Public-Domain Measure

    Directory of Open Access Journals (Sweden)

    David M. Condon

    2016-01-01

    Full Text Available These data were collected during the initial evaluation of the International Cognitive Ability Resource (ICAR project. ICAR is an international collaborative effort to develop open-source public-domain tools for cognitive ability assessment, including tools that can be administered in non-proctored environments (e.g., online administration and those which are based on automatic item generation algorithms. These data provide initial validation of the first four ICAR item types as reported in Condon & Revelle [1]. The 4 item types contain a total of 60 items: 9 Letter and Number Series items, 11 Matrix Reasoning items, 16 Verbal Reasoning items and 24 Three-dimensional Rotation items. Approximately 97,000 individuals were administered random subsets of these 60 items using the Synthetic Aperture Personality Assessment method between August 18, 2010 and May 20, 2013. The data are available in rdata and csv formats and are accompanied by documentation stored as a text file. Re-use potential includes a wide range of structural and item-level analyses.

  1. Atomic resolution imaging of ferroelectric domains

    International Nuclear Information System (INIS)

    Bursill, L.A.

    1997-01-01

    Electron optical principles involved in obtaining atomic resolution images of ferroelectric domains are reviewed, including the methods available to obtain meaningful interpretation and analysis of the image detail in terms of the atomic structures. Recent work is concerned with establishing the relationship between the essentially static chemical nanodomains and the spatial and temporal fluctuations of the nanoscale polar domains present in the relaxor class of materials, including lead scandium tantalate (PST) and lead magnesium niobate (PMN). Correct interpretation of the images required use of Next Nearest Neighbour Ising model simulations for the chemical domain textures upon which we must superimpose the polar domain textures; an introduction to this work is presented. A thorough analysis of the atomic scale chemical inhomogeneities, based upon the HRTEM results, has lead to an improved formulation of the theory of the dielectric response of PMN and PST, which is capable to predict the observed temperature and frequency dependence. HRTEM may be combined with solid state and statistical physics principles to provide a deeper understanding of structure/property relationships. 15 refs., 6 figs

  2. Ubiquitin domain proteins in disease

    DEFF Research Database (Denmark)

    Klausen, Louise Kjær; Schulze, Andrea; Seeger, Michael

    2007-01-01

    The human genome encodes several ubiquitin-like (UBL) domain proteins (UDPs). Members of this protein family are involved in a variety of cellular functions and many are connected to the ubiquitin proteasome system, an essential pathway for protein degradation in eukaryotic cells. Despite...... and cancer. Publication history: Republished from Current BioData's Targeted Proteins database (TPdb; http://www.targetedproteinsdb.com)....

  3. Magnetization reversal in ferromagnetic spirals via domain wall motion

    Science.gov (United States)

    Schumm, Ryan D.; Kunz, Andrew

    2016-11-01

    Domain wall dynamics have been investigated in a variety of ferromagnetic nanostructures for potential applications in logic, sensing, and recording. We present a combination of analytic and simulated results describing the reliable field driven motion of a domain wall through the arms of a ferromagnetic spiral nanowire. The spiral geometry is capable of taking advantage of the benefits of both straight and circular wires. Measurements of the in-plane components of the spirals' magnetization can be used to determine the angular location of the domain wall, impacting the magnetoresistive applications dependent on the domain wall location. The spirals' magnetization components are found to depend on the spiral parameters: the initial radius and spacing between spiral arms, along with the domain wall location. The magnetization is independent of the parameters of the rotating field used to move the domain wall, and therefore the model is valid for current induced domain wall motion as well. The speed of the domain wall is found to depend on the frequency of the rotating driving field, and the domain wall speeds can be reliably varied over several orders of magnitude. We further demonstrate a technique capable of injecting multiple domain walls and show the reliable and unidirectional motion of domain walls through the arms of the spiral.

  4. Fictitious domain methods for elliptic problems with general boundary conditions with an application to the numerical simulation of two phase flows; Methodes de domaine fictif pour des problemes elliptiques avec conditions aux limites generales en vue de la simulation numerique d'ecoulements diphasiques

    Energy Technology Data Exchange (ETDEWEB)

    Ramiere, I

    2006-09-15

    This work is dedicated to the introduction of two original fictitious domain methods for the resolution of elliptic problems (mainly convection-diffusion problems) with general and eventually mixed boundary conditions: Dirichlet, Robin or Neumann. The originality lies in the approximation of the immersed boundary by an approximate interface derived from the fictitious domain Cartesian mesh, which is generally not boundary-fitted to the physical domain. The same generic numerical scheme is used to impose the embedded boundary conditions. Hence, these methods require neither a surface mesh of the immersed boundary nor the local modification of the numerical scheme. We study two modelling of the immersed boundary. In the first one, called spread interface, the approximate immersed boundary is the union of the cells crossed by the physical immersed boundary. In the second one, called thin interface, the approximate immersed boundary lies on sides of mesh cells. Additional algebraic transmission conditions linking both flux and solution jumps through the thin approximate interface are introduced. The fictitious problem to solve as well as the treatment of the embedded boundary conditions are detailed for the two methods. A Q1 finite element scheme is implemented for the numerical validation of the spread interface approach while a new cell-centered finite volume scheme is derived for the thin interface approach with immersed jumps. Each method is then combined to multilevel local mesh refinement algorithms (with solution or flux residual) to increase the precision of the solution in the vicinity of the immersed interface. A convergence analysis of a Q1 finite element method with non-boundary fitted meshes is also presented. This study proves the convergence rates of the present methods. Among the various industrial applications, the simulation on a model of heat exchanger in french nuclear power plants enables us to appreciate the performances of the fictitious domain

  5. Decaying quasi-two-dimensional viscous flow on a square domain

    DEFF Research Database (Denmark)

    Konijnenberg, J.A. van de; Flor, J.B.; Heijst, G.J.F. van

    1998-01-01

    A comparison is made between experimental, numerical and analytical results for the two-dimensional flow on a square domain. The experiments concern the flow at the interface of a two-layer stratified fluid, evoked by either stirring the fluid with a rake, or by injecting additional fluid...... at the interface. Two numerical simulations were performed with initial conditions and boundary conditions that correspond approximately with those met in the experiments. The analytical results concern the calculation of the lowest modes of a decaying Stokes flow on a square domain. At late times...... relationship between vorticity and stream function in the experiments and the simulations. (C) 1998 American Institute of Physics....

  6. Frequency domain Monte Carlo simulation method for cross power spectral density driven by periodically pulsed spallation neutron source using complex-valued weight Monte Carlo

    International Nuclear Information System (INIS)

    Yamamoto, Toshihiro

    2014-01-01

    Highlights: • The cross power spectral density in ADS has correlated and uncorrelated components. • A frequency domain Monte Carlo method to calculate the uncorrelated one is developed. • The method solves the Fourier transformed transport equation. • The method uses complex-valued weights to solve the equation. • The new method reproduces well the CPSDs calculated with time domain MC method. - Abstract: In an accelerator driven system (ADS), pulsed spallation neutrons are injected at a constant frequency. The cross power spectral density (CPSD), which can be used for monitoring the subcriticality of the ADS, is composed of the correlated and uncorrelated components. The uncorrelated component is described by a series of the Dirac delta functions that occur at the integer multiples of the pulse repetition frequency. In the present paper, a Monte Carlo method to solve the Fourier transformed neutron transport equation with a periodically pulsed neutron source term has been developed to obtain the CPSD in ADSs. Since the Fourier transformed flux is a complex-valued quantity, the Monte Carlo method introduces complex-valued weights to solve the Fourier transformed equation. The Monte Carlo algorithm used in this paper is similar to the one that was developed by the author of this paper to calculate the neutron noise caused by cross section perturbations. The newly-developed Monte Carlo algorithm is benchmarked to the conventional time domain Monte Carlo simulation technique. The CPSDs are obtained both with the newly-developed frequency domain Monte Carlo method and the conventional time domain Monte Carlo method for a one-dimensional infinite slab. The CPSDs obtained with the frequency domain Monte Carlo method agree well with those with the time domain method. The higher order mode effects on the CPSD in an ADS with a periodically pulsed neutron source are discussed

  7. SIMULATED PERFORMANCE OF TIMESCALE METRICS FOR APERIODIC LIGHT CURVES

    Energy Technology Data Exchange (ETDEWEB)

    Findeisen, Krzysztof; Hillenbrand, Lynne [Cahill Center for Astronomy and Astrophysics, California Institute of Technology, MC 249-17, Pasadena, CA 91125 (United States); Cody, Ann Marie, E-mail: krzys@astro.caltech.edu [Spitzer Science Center, California Institute of Technology, MC 314-6, Pasadena, CA 91125 (United States)

    2015-01-10

    Aperiodic variability is a characteristic feature of young stars, massive stars, and active galactic nuclei. With the recent proliferation of time-domain surveys, it is increasingly essential to develop methods to quantify and analyze aperiodic variability. We develop three timescale metrics that have been little used in astronomy—Δm-Δt plots, peak-finding, and Gaussian process regression—and present simulations comparing their effectiveness across a range of aperiodic light curve shapes, characteristic timescales, observing cadences, and signal to noise ratios. We find that Gaussian process regression is easily confused by noise and by irregular sampling, even when the model being fit reflects the process underlying the light curve, but that Δm-Δt plots and peak-finding can coarsely characterize timescales across a broad region of parameter space. We make public the software we used for our simulations, both in the spirit of open research and to allow others to carry out analogous simulations for their own observing programs.

  8. SIMULATED PERFORMANCE OF TIMESCALE METRICS FOR APERIODIC LIGHT CURVES

    International Nuclear Information System (INIS)

    Findeisen, Krzysztof; Hillenbrand, Lynne; Cody, Ann Marie

    2015-01-01

    Aperiodic variability is a characteristic feature of young stars, massive stars, and active galactic nuclei. With the recent proliferation of time-domain surveys, it is increasingly essential to develop methods to quantify and analyze aperiodic variability. We develop three timescale metrics that have been little used in astronomy—Δm-Δt plots, peak-finding, and Gaussian process regression—and present simulations comparing their effectiveness across a range of aperiodic light curve shapes, characteristic timescales, observing cadences, and signal to noise ratios. We find that Gaussian process regression is easily confused by noise and by irregular sampling, even when the model being fit reflects the process underlying the light curve, but that Δm-Δt plots and peak-finding can coarsely characterize timescales across a broad region of parameter space. We make public the software we used for our simulations, both in the spirit of open research and to allow others to carry out analogous simulations for their own observing programs

  9. Sensitivity study of heavy precipitation in Limited Area Model climate simulations: influence of the size of the domain and the use of the spectral nudging technique

    Science.gov (United States)

    Colin, Jeanne; Déqué, Michel; Radu, Raluca; Somot, Samuel

    2010-10-01

    We assess the impact of two sources of uncertainties in a limited area model (LAM) on the representation of intense precipitation: the size of the domain of integration and the use of the spectral nudging technique (driving of the large-scale within the domain of integration). We work in a perfect-model approach where the LAM is driven by a general circulation model (GCM) run at the same resolution and sharing the same physics and dynamics as the LAM. A set of three 50 km resolution simulations run over Western Europe with the LAM ALADIN-Climate and the GCM ARPEGE-Climate are performed to address this issue. Results are consistent with previous studies regarding the seasonal-mean fields. Furthermore, they show that neither the use of the spectral nudging nor the choice of a small domain are detrimental to the modelling of heavy precipitation in the present experiment.

  10. Laser induced local modification of magnetic domain in Co/Pt multilayer

    International Nuclear Information System (INIS)

    Talapatra, A.; Mohanty, J.

    2016-01-01

    Manipulation of magnetic system by the use of laser has drawn the attention of contemporary research. We demonstrate here the modification of magnetic domain in perpendicularly magnetized Co/Pt multilayer by using ultrashort laser pulse. The as-prepared sample shows an out-of-plane saturation magnetic field of 803.4 mT and almost zero remanence with a labyrinth-like domain pattern at room temperature. Atomistic simulation showed that interaction with femto-second laser results in demagnetization of the material in 200 fs followed by a slower recovery. As it indicates a net loss in magnetization, so magnetic force microscopy is carried out to investigate the equilibrium state after the system is relaxed. Demagnetized random domains appeared at the centre of the laser spot with having a rim at the boundary which signifies a deterministic switching with respect to the neighbouring area. Rotation of domains at the central area with the application of small transverse field (100 mT) proves the region to be magnetically weaker. Systematic 3D micromagnetic simulation has been performed to model the laser induced change by selective reduction of anisotropy which is discussed in detail. This shows shrinking of domains to a near circular pattern to minimize the magnetostatic energy. 50% reduction in anisotropy energy is observed with increasing the total energy of the system and a sharp increase in demagnetization energy also takes place simultaneously. This also satisfies the anisotropy in domain rotation with the application of transverse field. - Highlights: • Laser induced magnetization dynamics. • Local manipulation of magnetic domains. • Deterministic switching of domains with laser. • Modeling magnetic domain structure with local anisotropy distribution.

  11. Laser induced local modification of magnetic domain in Co/Pt multilayer

    Energy Technology Data Exchange (ETDEWEB)

    Talapatra, A., E-mail: ph13p1001@iith.ac.in; Mohanty, J., E-mail: jmohanty@iith.ac.in

    2016-11-15

    Manipulation of magnetic system by the use of laser has drawn the attention of contemporary research. We demonstrate here the modification of magnetic domain in perpendicularly magnetized Co/Pt multilayer by using ultrashort laser pulse. The as-prepared sample shows an out-of-plane saturation magnetic field of 803.4 mT and almost zero remanence with a labyrinth-like domain pattern at room temperature. Atomistic simulation showed that interaction with femto-second laser results in demagnetization of the material in 200 fs followed by a slower recovery. As it indicates a net loss in magnetization, so magnetic force microscopy is carried out to investigate the equilibrium state after the system is relaxed. Demagnetized random domains appeared at the centre of the laser spot with having a rim at the boundary which signifies a deterministic switching with respect to the neighbouring area. Rotation of domains at the central area with the application of small transverse field (100 mT) proves the region to be magnetically weaker. Systematic 3D micromagnetic simulation has been performed to model the laser induced change by selective reduction of anisotropy which is discussed in detail. This shows shrinking of domains to a near circular pattern to minimize the magnetostatic energy. 50% reduction in anisotropy energy is observed with increasing the total energy of the system and a sharp increase in demagnetization energy also takes place simultaneously. This also satisfies the anisotropy in domain rotation with the application of transverse field. - Highlights: • Laser induced magnetization dynamics. • Local manipulation of magnetic domains. • Deterministic switching of domains with laser. • Modeling magnetic domain structure with local anisotropy distribution.

  12. Europlexus: a domain decomposition method in explicit dynamics

    International Nuclear Information System (INIS)

    Faucher, V.; Hariddh, Bung; Combescure, A.

    2003-01-01

    Explicit time integration methods are used in structural dynamics to simulate fast transient phenomena, such as impacts or explosions. A very fine analysis is required in the vicinity of the loading areas but extending the same method, and especially the same small time-step, to the whole structure frequently yields excessive calculation times. We thus perform a dual Schur domain decomposition, to divide the global problem into several independent ones, to which is added a reduced size interface problem, to ensure connections between sub-domains. Each sub-domain is given its own time-step and its own mesh fineness. Non-matching meshes at the interfaces are handled. An industrial example demonstrates the interest of our approach. (authors)

  13. Computational analysis of phosphopeptide binding to the polo-box domain of the mitotic kinase PLK1 using molecular dynamics simulation.

    Directory of Open Access Journals (Sweden)

    David J Huggins

    2010-08-01

    Full Text Available The Polo-Like Kinase 1 (PLK1 acts as a central regulator of mitosis and is over-expressed in a wide range of human tumours where high levels of expression correlate with a poor prognosis. PLK1 comprises two structural elements, a kinase domain and a polo-box domain (PBD. The PBD binds phosphorylated substrates to control substrate phosphorylation by the kinase domain. Although the PBD preferentially binds to phosphopeptides, it has a relatively broad sequence specificity in comparison with other phosphopeptide binding domains. We analysed the molecular determinants of recognition by performing molecular dynamics simulations of the PBD with one of its natural substrates, CDC25c. Predicted binding free energies were calculated using a molecular mechanics, Poisson-Boltzmann surface area approach. We calculated the per-residue contributions to the binding free energy change, showing that the phosphothreonine residue and the mainchain account for the vast majority of the interaction energy. This explains the very broad sequence specificity with respect to other sidechain residues. Finally, we considered the key role of bridging water molecules at the binding interface. We employed inhomogeneous fluid solvation theory to consider the free energy of water molecules on the protein surface with respect to bulk water molecules. Such an analysis highlights binding hotspots created by elimination of water molecules from hydrophobic surfaces. It also predicts that a number of water molecules are stabilized by the presence of the charged phosphate group, and that this will have a significant effect on the binding affinity. Our findings suggest a molecular rationale for the promiscuous binding of the PBD and highlight a role for bridging water molecules at the interface. We expect that this method of analysis will be very useful for probing other protein surfaces to identify binding hotspots for natural binding partners and small molecule inhibitors.

  14. Using Crisis Simulations in Public Relations Education

    Science.gov (United States)

    Veil, Shari R.

    2010-01-01

    Objectives: Students will demonstrate research, decision making, team building, and public speaking skills, while applying issues management and crisis communication concepts in a realistic setting. Courses: Introduction to Public Relations, Public Relations Cases, Crisis Communication.

  15. Multiple hypothesis tracking for the cyber domain

    Science.gov (United States)

    Schwoegler, Stefan; Blackman, Sam; Holsopple, Jared; Hirsch, Michael J.

    2011-09-01

    This paper discusses how methods used for conventional multiple hypothesis tracking (MHT) can be extended to domain-agnostic tracking of entities from non-kinematic constraints such as those imposed by cyber attacks in a potentially dense false alarm background. MHT is widely recognized as the premier method to avoid corrupting tracks with spurious data in the kinematic domain but it has not been extensively applied to other problem domains. The traditional approach is to tightly couple track maintenance (prediction, gating, filtering, probabilistic pruning, and target confirmation) with hypothesis management (clustering, incompatibility maintenance, hypothesis formation, and Nassociation pruning). However, by separating the domain specific track maintenance portion from the domain agnostic hypothesis management piece, we can begin to apply the wealth of knowledge gained from ground and air tracking solutions to the cyber (and other) domains. These realizations led to the creation of Raytheon's Multiple Hypothesis Extensible Tracking Architecture (MHETA). In this paper, we showcase MHETA for the cyber domain, plugging in a well established method, CUBRC's INFormation Engine for Real-time Decision making, (INFERD), for the association portion of the MHT. The result is a CyberMHT. We demonstrate the power of MHETA-INFERD using simulated data. Using metrics from both the tracking and cyber domains, we show that while no tracker is perfect, by applying MHETA-INFERD, advanced nonkinematic tracks can be captured in an automated way, perform better than non-MHT approaches, and decrease analyst response time to cyber threats.

  16. A three-dimensional polarization domain retrieval method from electron diffraction data

    International Nuclear Information System (INIS)

    Pennington, Robert S.; Koch, Christoph T.

    2015-01-01

    We present an algorithm for retrieving three-dimensional domains of picometer-scale shifts in atomic positions from electron diffraction data, and apply it to simulations of ferroelectric polarization in BaTiO 3 . Our algorithm successfully and correctly retrieves polarization domains in which the Ti atom positions differ by less than 3 pm (0.4% of the unit cell diagonal distance) with 5 and 10 nm depth resolution along the beam direction, and we also retrieve unit cell strain, corresponding to tetragonal-to-cubic unit cell distortions, for 10 nm domains. Experimental applicability is also discussed. - Highlights: • We show a retrieval method for ferroelectric polarization from TEM diffraction data. • Simulated strain and polarization variations along the beam direction are retrieved. • This method can be used for 3D strain and polarization mapping without specimen tilt

  17. Investigating the spectral characteristics of backscattering from heterogeneous spheroidal nuclei using broadband finite-difference time-domain simulations

    Science.gov (United States)

    Chao, Guo-Shan; Sung, Kung-Bin

    2010-02-01

    Backscattered light spectra have been used to extract size distribution of cell nuclei in epithelial tissues for noninvasive detection of precancerous lesions. In existing experimental studies, size estimation is achieved by assuming nuclei as homogeneous spheres or spheroids and fitting the measured data with models based on Mie theory. However, the validity of simplifying nuclei as homogeneous spheres has not been thoroughly examined. In this study, we investigate the spectral characteristics of backscattering from models of spheroidal nuclei under plane wave illumination using three-dimensional finite-difference time-domain (FDTD) simulation. A modulated Gaussian pulse is used to obtain wavelength dependent scattering intensity with a single FDTD run. The simulated model of nuclei consists of a nucleolus and randomly distributed chromatin condensation in homogeneous cytoplasm and nucleoplasm. The results show that backscattering spectra from spheroidal nuclei have similar oscillating patterns to those from homogeneous spheres with the diameter equal to the projective length of the spheroidal nucleus along the propagation direction. The strength of backscattering is enhanced in heterogeneous spheroids as compared to homogeneous spheroids. The degree of which backscattering spectra of heterogeneous nuclei deviate from Mie theory is highly dependent on the distribution of chromatin/nucleolus but not sensitive to nucleolar size, refractive index fluctuation or chromatin density.

  18. Formalizing Knowledge in Multi-Scale Agent-Based Simulations.

    Science.gov (United States)

    Somogyi, Endre; Sluka, James P; Glazier, James A

    2016-10-01

    Multi-scale, agent-based simulations of cellular and tissue biology are increasingly common. These simulations combine and integrate a range of components from different domains. Simulations continuously create, destroy and reorganize constituent elements causing their interactions to dynamically change. For example, the multi-cellular tissue development process coordinates molecular, cellular and tissue scale objects with biochemical, biomechanical, spatial and behavioral processes to form a dynamic network. Different domain specific languages can describe these components in isolation, but cannot describe their interactions. No current programming language is designed to represent in human readable and reusable form the domain specific knowledge contained in these components and interactions. We present a new hybrid programming language paradigm that naturally expresses the complex multi-scale objects and dynamic interactions in a unified way and allows domain knowledge to be captured, searched, formalized, extracted and reused.

  19. Extrapolation of Inter Domain Communications and Substrate Binding Cavity of Camel HSP70 1A: A Molecular Modeling and Dynamics Simulation Study.

    Directory of Open Access Journals (Sweden)

    Saurabh Gupta

    Full Text Available Heat shock protein 70 (HSP70 is an important chaperone, involved in protein folding, refolding, translocation and complex remodeling reactions under normal as well as stress conditions. However, expression of HSPA1A gene in heat and cold stress conditions associates with other chaperons and perform its function. Experimental structure for Camel HSP70 protein (cHSP70 has not been reported so far. Hence, we constructed 3D models of cHSP70 through multi- template comparative modeling with HSP110 protein of S. cerevisiae (open state and with HSP70 protein of E. coli 70kDa DnaK (close state and relaxed them for 100 nanoseconds (ns using all-atom Molecular Dynamics (MD Simulation. Two stable conformations of cHSP70 with Substrate Binding Domain (SBD in open and close states were obtained. The collective mode analysis of different transitions of open state to close state and vice versa was examined via Principal Component Analysis (PCA and Minimum Distance Matrix (MDM. The results provide mechanistic representation of the communication between Nucleotide Binding Domain (NBD and SBD to identify the role of sub domains in conformational change mechanism, which leads the chaperone cycle of cHSP70. Further, residues present in the chaperon functioning site were also identified through protein-peptide docking. This study provides an overall insight into the inter domain communication mechanism and identification of the chaperon binding cavity, which explains the underlying mechanism involved during heat and cold stress conditions in camel.

  20. Accuracy of three-dimensional seismic ground response analysis in time domain using nonlinear numerical simulations

    Science.gov (United States)

    Liang, Fayun; Chen, Haibing; Huang, Maosong

    2017-07-01

    To provide appropriate uses of nonlinear ground response analysis for engineering practice, a three-dimensional soil column with a distributed mass system and a time domain numerical analysis were implemented on the OpenSees simulation platform. The standard mesh of a three-dimensional soil column was suggested to be satisfied with the specified maximum frequency. The layered soil column was divided into multiple sub-soils with a different viscous damping matrix according to the shear velocities as the soil properties were significantly different. It was necessary to use a combination of other one-dimensional or three-dimensional nonlinear seismic ground analysis programs to confirm the applicability of nonlinear seismic ground motion response analysis procedures in soft soil or for strong earthquakes. The accuracy of the three-dimensional soil column finite element method was verified by dynamic centrifuge model testing under different peak accelerations of the earthquake. As a result, nonlinear seismic ground motion response analysis procedures were improved in this study. The accuracy and efficiency of the three-dimensional seismic ground response analysis can be adapted to the requirements of engineering practice.

  1. Routing protocol extension for resilient GMPLS multi-domain networks

    DEFF Research Database (Denmark)

    Manolova, Anna Vasileva; Ruepp, Sarah Renée; Romeral, Ricardo

    2010-01-01

    This paper evaluates the performance of multi-domain networks under the Generalized Multi-Protocol Label Switching control framework in case of a single inter-domain link failure. We propose and evaluate a routing protocol extension for the Border Gateway Protocol, which allows domains to obtain...... two Autonomous System disjoint paths and use them efficiently under failure conditions. Three main applications for the protocol extension are illustrated: reducing traffic loss on existing connections by xploiting pre-selected backup paths derived with our proposal, applying multi-domain restoration...... as survivability mechanism in case of single link failure, and employing proper failure notification mechanisms for routing of future connection requests under routing protocol re-convergence. Via simulations we illustrate the benefits of utilizing the proposed routing protocol extension for networks employing...

  2. Characteristics of scientific web publications

    DEFF Research Database (Denmark)

    Thorlund Jepsen, Erik; Seiden, Piet; Ingwersen, Peter Emil Rerup

    2004-01-01

    were generated based on specifically selected domain topics that are searched for in three publicly accessible search engines (Google, AllTheWeb, and AltaVista). A sample of the retrieved hits was analyzed with regard to how various publication attributes correlated with the scientific quality...... of the content and whether this information could be employed to harvest, filter, and rank Web publications. The attributes analyzed were inlinks, outlinks, bibliographic references, file format, language, search engine overlap, structural position (according to site structure), and the occurrence of various...... types of metadata. As could be expected, the ranked output differs between the three search engines. Apparently, this is caused by differences in ranking algorithms rather than the databases themselves. In fact, because scientific Web content in this subject domain receives few inlinks, both Alta...

  3. Altering critical depinning current via domain wall pile-up in magnetic nanowires

    International Nuclear Information System (INIS)

    Geng, Liwei D.; Jin, Yongmei M.

    2015-01-01

    An important role of domain wall pile-up in current-driven domain wall depinning in magnetic nanowires is revealed using micromagnetic simulations. It is found that the critical current for domain wall depinning can be substantially reduced and conveniently tuned by controlling domain wall number in the pile-up at pinning site, in analogy to dislocation pile-up responsible for Hall–Petch effect in mechanical strength. Domain wall pinning and depinning at an s-shape bend is considered, and the effects of curvature and current crowding in magnetic circuit on domain wall behaviors are discussed. - Highlights: • Advance fundamental knowledge of current-driven domain wall phenomena. • Provide a novel approach to drastically reduce the critical depinning current. • Solve an outstanding problem of effective control of domain wall pinning/depinning. • Report appealing new findings of magnetic domain wall pile-up mechanism. • Overcome the limitations of materials properties for domain wall-based devices

  4. Assessment of perceptual diffuseness in the time domain

    DEFF Research Database (Denmark)

    Garcia, Julian Martinez-Villalba; Jeong, Cheol-Ho; Brunskog, Jonas

    2017-01-01

    This study proposes a numerical and experimental framework for evaluating the perceptual aspect of the diffuse field condition with intended final use in music auditoria. Multiple Impulse Responses are simulated based on the time domain Poisson process with increasing reflection density. Different...

  5. Scalable Domain Decomposition Preconditioners for Heterogeneous Elliptic Problems

    Directory of Open Access Journals (Sweden)

    Pierre Jolivet

    2014-01-01

    Full Text Available Domain decomposition methods are, alongside multigrid methods, one of the dominant paradigms in contemporary large-scale partial differential equation simulation. In this paper, a lightweight implementation of a theoretically and numerically scalable preconditioner is presented in the context of overlapping methods. The performance of this work is assessed by numerical simulations executed on thousands of cores, for solving various highly heterogeneous elliptic problems in both 2D and 3D with billions of degrees of freedom. Such problems arise in computational science and engineering, in solid and fluid mechanics. While focusing on overlapping domain decomposition methods might seem too restrictive, it will be shown how this work can be applied to a variety of other methods, such as non-overlapping methods and abstract deflation based preconditioners. It is also presented how multilevel preconditioners can be used to avoid communication during an iterative process such as a Krylov method.

  6. Response to a widespread, unauthorized dispersal of radioactive waste in the public domain

    International Nuclear Information System (INIS)

    Wenslawski, F.A.; North, H.S.

    1979-01-01

    In March 1976 State of Nevada radiological health officials became aware that radioactive items destined for disposal at a radioactive waste burial facility near Beatty, Nevada had instead been distributed to wide segments of the public domain. Because the facility was jointly licensed by the State of Nevada and the Federal Nuclear Regulatory Commission, both agencies quickly responded. It was learned that over a period of several years a practice existed at the disposal facility of opening containers, removing contents and allowing employees to take items of worth or fancy. Numerous items such as hand tools, electric motors, laboratory instruments, shipping containers, etc., had received widespread and uncontrolled distribution in the town of Beatty as well as lesser distributions to other locations. Because the situation might have had the potential for a significant health and safety impact, a comprehensive recovery operation was conducted. During the course of seven days of intense effort, thirty-five individuals became involved in a comprehensive door by door survey and search of the town. Aerial surveys were performed using a helicopter equipped with sensitive radiation detectors, while ground level scans were conducted using a van containing similar instrumentation. Aerial reconnaissance photographs were taken, a special town meeting was held and numerous persons were interviewed. The recovery effort resulted in a retrieval of an estimated 20 to 25 pickup truck loads of radioactively contaminated equipment as well as several loads of large items returned on a 40-foot flatbed trailer

  7. Use of media and public-domain Internet sources for detection and assessment of plant health threats.

    Science.gov (United States)

    Thomas, Carla S; Nelson, Noele P; Jahn, Gary C; Niu, Tianchan; Hartley, David M

    2011-09-05

    Event-based biosurveillance is a recognized approach to early warning and situational awareness of emerging health threats. In this study, we build upon previous human and animal health work to develop a new approach to plant pest and pathogen surveillance. We show that monitoring public domain electronic media for indications and warning of epidemics and associated social disruption can provide information about the emergence and progression of plant pest infestation or disease outbreak. The approach is illustrated using a case study, which describes a plant pest and pathogen epidemic in China and Vietnam from February 2006 to December 2007, and the role of ducks in contributing to zoonotic virus spread in birds and humans. This approach could be used as a complementary method to traditional plant pest and pathogen surveillance to aid global and national plant protection officials and political leaders in early detection and timely response to significant biological threats to plant health, economic vitality, and social stability. This study documents the inter-relatedness of health in human, animal, and plant populations and emphasizes the importance of plant health surveillance.

  8. Stochastic lattice model of synaptic membrane protein domains.

    Science.gov (United States)

    Li, Yiwei; Kahraman, Osman; Haselwandter, Christoph A

    2017-05-01

    Neurotransmitter receptor molecules, concentrated in synaptic membrane domains along with scaffolds and other kinds of proteins, are crucial for signal transmission across chemical synapses. In common with other membrane protein domains, synaptic domains are characterized by low protein copy numbers and protein crowding, with rapid stochastic turnover of individual molecules. We study here in detail a stochastic lattice model of the receptor-scaffold reaction-diffusion dynamics at synaptic domains that was found previously to capture, at the mean-field level, the self-assembly, stability, and characteristic size of synaptic domains observed in experiments. We show that our stochastic lattice model yields quantitative agreement with mean-field models of nonlinear diffusion in crowded membranes. Through a combination of analytic and numerical solutions of the master equation governing the reaction dynamics at synaptic domains, together with kinetic Monte Carlo simulations, we find substantial discrepancies between mean-field and stochastic models for the reaction dynamics at synaptic domains. Based on the reaction and diffusion properties of synaptic receptors and scaffolds suggested by previous experiments and mean-field calculations, we show that the stochastic reaction-diffusion dynamics of synaptic receptors and scaffolds provide a simple physical mechanism for collective fluctuations in synaptic domains, the molecular turnover observed at synaptic domains, key features of the observed single-molecule trajectories, and spatial heterogeneity in the effective rates at which receptors and scaffolds are recycled at the cell membrane. Our work sheds light on the physical mechanisms and principles linking the collective properties of membrane protein domains to the stochastic dynamics that rule their molecular components.

  9. Radiative transfer with scattering for domain-decomposed 3D MHD simulations of cool stellar atmospheres : numerical methods and application to the quiet, non-magnetic, surface of a solar-type star

    NARCIS (Netherlands)

    Hayek, W.; Asplund, M.; Carlsson, M.; Trampedach, R.; Collet, R.; Gudiksen, B.V.; Hansteen, V.H.; Leenaarts, J.|info:eu-repo/dai/nl/304837946

    2010-01-01

    Aims. We present the implementation of a radiative transfer solver with coherent scattering in the new BIFROST code for radiative magneto-hydrodynamical (MHD) simulations of stellar surface convection. The code is fully parallelized using MPI domain decomposition, which allows for large grid sizes

  10. Transverse field-induced nucleation pad switching modes during domain wall injection

    Energy Technology Data Exchange (ETDEWEB)

    Bryan, M. T.; Fry, P. W.; Schrefl, T.; Gibbs, M. R. J.; Allwood, D. A.; Im, M.-Y.; Fischer, P.

    2010-03-12

    We have used magnetic transmission X-ray microscopy (M-TXM) to image in-field magnetization configurations of patterned Ni{sub 80}Fe{sub 20} domain wall 'injection pads' and attached planar nanowires. Comparison with micromagnetic simulations suggests that the evolution of magnetic domains in rectangular injection pads depends on the relative orientation of closure domains in the remanent state. The magnetization reversal pathway is also altered by the inclusion of transverse magnetic fields. These different modes explain previous results of domain wall injection into nanowires. Even more striking was the observation of domain walls injecting halfway across the width of wider (>400 nm wide) wires but over wire lengths of several micrometers. These extended Neel walls can interact with adjacent nanowires and cause a switching in the side of the wire undergoing reversal as the domain wall continues to expand.

  11. A role for chromatin topology in imprinted domain regulation.

    Science.gov (United States)

    MacDonald, William A; Sachani, Saqib S; White, Carlee R; Mann, Mellissa R W

    2016-02-01

    Recently, many advancements in genome-wide chromatin topology and nuclear architecture have unveiled the complex and hidden world of the nucleus, where chromatin is organized into discrete neighbourhoods with coordinated gene expression. This includes the active and inactive X chromosomes. Using X chromosome inactivation as a working model, we utilized publicly available datasets together with a literature review to gain insight into topologically associated domains, lamin-associated domains, nucleolar-associating domains, scaffold/matrix attachment regions, and nucleoporin-associated chromatin and their role in regulating monoallelic expression. Furthermore, we comprehensively review for the first time the role of chromatin topology and nuclear architecture in the regulation of genomic imprinting. We propose that chromatin topology and nuclear architecture are important regulatory mechanisms for directing gene expression within imprinted domains. Furthermore, we predict that dynamic changes in chromatin topology and nuclear architecture play roles in tissue-specific imprint domain regulation during early development and differentiation.

  12. RF feedback simulation for the PEP-II B Factory

    International Nuclear Information System (INIS)

    Tighe, R.

    1994-06-01

    A model, of the beam and RF system for PEP-11 has been developed to allow both time-domain simulation and frequency-domain analysis of the complete system. The model includes the full set of feedback loops and nonlinear elements such as the beam and klystron. The model may be used to predict beam and feedback stability in the presence of nonlinearities through time-domain simulation as well as system frequency response about a given operating point

  13. Application of Numerical Dispersion Compensation of the Yee-FDTD Algorithm on Elongated Domains

    DEFF Research Database (Denmark)

    Franek, Ondrej; Zhang, Shuai; Olesen, Kim

    2017-01-01

    A postprocessing method to compensate for the numerical dispersion of the Yee-FDTD scheme is presented. The method makes use of frequency domain deconvolution of the erroneous phase shift from the obtained results and can be applied on certain specific conditions, such as for simulations on elong......A postprocessing method to compensate for the numerical dispersion of the Yee-FDTD scheme is presented. The method makes use of frequency domain deconvolution of the erroneous phase shift from the obtained results and can be applied on certain specific conditions, such as for simulations...

  14. Shape of isolated domains in lithium tantalate single crystals at elevated temperatures

    International Nuclear Information System (INIS)

    Shur, V. Ya.; Akhmatkhanov, A. R.; Baturin, I. S.; Chezganov, D. S.; Lobov, A. I.; Smirnov, M. M.

    2013-01-01

    The shape of isolated domains has been investigated in congruent lithium tantalate (CLT) single crystals at elevated temperatures and analyzed in terms of kinetic approach. The obtained temperature dependence of the growing domain shape in CLT including circular shape at temperatures above 190 °C has been attributed to increase of relative input of isotropic ionic conductivity. The observed nonstop wall motion and independent domain growth after merging in CLT as opposed to stoichiometric lithium tantalate have been attributed to difference in wall orientation. The computer simulation has confirmed applicability of the kinetic approach to the domain shape explanation

  15. Simulations of Ground-Water Flow, Transport, Age, and Particle Tracking near York, Nebraska, for a Study of Transport of Anthropogenic and Natural Contaminants (TANC) to Public-Supply Wells

    Science.gov (United States)

    Clark, Brian R.; Landon, Matthew K.; Kauffman, Leon J.; Hornberger, George Z.

    2008-01-01

    Contamination of public-supply wells has resulted in public-health threats and negative economic effects for communities that must treat contaminated water or find alternative water supplies. To investigate factors controlling vulnerability of public-supply wells to anthropogenic and natural contaminants using consistent and systematic data collected in a variety of principal aquifer settings in the United States, a study of Transport of Anthropogenic and Natural Contaminants to public-supply wells was begun in 2001 as part of the U.S. Geological Survey National Water-Quality Assessment Program. The area simulated by the ground-water flow model described in this report was selected for a study of processes influencing contaminant distribution and transport along the direction of ground-water flow towards a public-supply well in southeastern York, Nebraska. Ground-water flow is simulated for a 60-year period from September 1, 1944, to August 31, 2004. Steady-state conditions are simulated prior to September 1, 1944, and represent conditions prior to use of ground water for irrigation. Irrigation, municipal, and industrial wells were simulated using the Multi-Node Well package of the modular three-dimensional ground-water flow model code, MODFLOW-2000, which allows simulation of flow and solutes through wells that are simulated in multiple nodes or layers. Ground-water flow, age, and transport of selected tracers were simulated using the Ground-Water Transport process of MODFLOW-2000. Simulated ground-water age was compared to interpreted ground-water age in six monitoring wells in the unconfined aquifer. The tracer chlorofluorocarbon-11 was simulated directly using Ground-Water Transport for comparison with concentrations measured in six monitoring wells and one public supply well screened in the upper confined aquifer. Three alternative model simulations indicate that simulation results are highly sensitive to the distribution of multilayer well bores where leakage

  16. Fictitious domain methods for elliptic problems with general boundary conditions with an application to the numerical simulation of two phase flows

    International Nuclear Information System (INIS)

    Ramiere, I.

    2006-09-01

    This work is dedicated to the introduction of two original fictitious domain methods for the resolution of elliptic problems (mainly convection-diffusion problems) with general and eventually mixed boundary conditions: Dirichlet, Robin or Neumann. The originality lies in the approximation of the immersed boundary by an approximate interface derived from the fictitious domain Cartesian mesh, which is generally not boundary-fitted to the physical domain. The same generic numerical scheme is used to impose the embedded boundary conditions. Hence, these methods require neither a surface mesh of the immersed boundary nor the local modification of the numerical scheme. We study two modelling of the immersed boundary. In the first one, called spread interface, the approximate immersed boundary is the union of the cells crossed by the physical immersed boundary. In the second one, called thin interface, the approximate immersed boundary lies on sides of mesh cells. Additional algebraic transmission conditions linking both flux and solution jumps through the thin approximate interface are introduced. The fictitious problem to solve as well as the treatment of the embedded boundary conditions are detailed for the two methods. A Q1 finite element scheme is implemented for the numerical validation of the spread interface approach while a new cell-centered finite volume scheme is derived for the thin interface approach with immersed jumps. Each method is then combined to multilevel local mesh refinement algorithms (with solution or flux residual) to increase the precision of the solution in the vicinity of the immersed interface. A convergence analysis of a Q1 finite element method with non-boundary fitted meshes is also presented. This study proves the convergence rates of the present methods. Among the various industrial applications, the simulation on a model of heat exchanger in french nuclear power plants enables us to appreciate the performances of the fictitious domain

  17. Beyond cross-domain learning: Multiple-domain nonnegative matrix factorization

    KAUST Repository

    Wang, Jim Jing-Yan; Gao, Xin

    2014-01-01

    Traditional cross-domain learning methods transfer learning from a source domain to a target domain. In this paper, we propose the multiple-domain learning problem for several equally treated domains. The multiple-domain learning problem assumes that samples from different domains have different distributions, but share the same feature and class label spaces. Each domain could be a target domain, while also be a source domain for other domains. A novel multiple-domain representation method is proposed for the multiple-domain learning problem. This method is based on nonnegative matrix factorization (NMF), and tries to learn a basis matrix and coding vectors for samples, so that the domain distribution mismatch among different domains will be reduced under an extended variation of the maximum mean discrepancy (MMD) criterion. The novel algorithm - multiple-domain NMF (MDNMF) - was evaluated on two challenging multiple-domain learning problems - multiple user spam email detection and multiple-domain glioma diagnosis. The effectiveness of the proposed algorithm is experimentally verified. © 2013 Elsevier Ltd. All rights reserved.

  18. Beyond cross-domain learning: Multiple-domain nonnegative matrix factorization

    KAUST Repository

    Wang, Jim Jing-Yan

    2014-02-01

    Traditional cross-domain learning methods transfer learning from a source domain to a target domain. In this paper, we propose the multiple-domain learning problem for several equally treated domains. The multiple-domain learning problem assumes that samples from different domains have different distributions, but share the same feature and class label spaces. Each domain could be a target domain, while also be a source domain for other domains. A novel multiple-domain representation method is proposed for the multiple-domain learning problem. This method is based on nonnegative matrix factorization (NMF), and tries to learn a basis matrix and coding vectors for samples, so that the domain distribution mismatch among different domains will be reduced under an extended variation of the maximum mean discrepancy (MMD) criterion. The novel algorithm - multiple-domain NMF (MDNMF) - was evaluated on two challenging multiple-domain learning problems - multiple user spam email detection and multiple-domain glioma diagnosis. The effectiveness of the proposed algorithm is experimentally verified. © 2013 Elsevier Ltd. All rights reserved.

  19. A pseudo-spectral method for the simulation of poro-elastic seismic wave propagation in 2D polar coordinates using domain decomposition

    Energy Technology Data Exchange (ETDEWEB)

    Sidler, Rolf, E-mail: rsidler@gmail.com [Center for Research of the Terrestrial Environment, University of Lausanne, CH-1015 Lausanne (Switzerland); Carcione, José M. [Istituto Nazionale di Oceanografia e di Geofisica Sperimentale (OGS), Borgo Grotta Gigante 42c, 34010 Sgonico, Trieste (Italy); Holliger, Klaus [Center for Research of the Terrestrial Environment, University of Lausanne, CH-1015 Lausanne (Switzerland)

    2013-02-15

    We present a novel numerical approach for the comprehensive, flexible, and accurate simulation of poro-elastic wave propagation in 2D polar coordinates. An important application of this method and its extensions will be the modeling of complex seismic wave phenomena in fluid-filled boreholes, which represents a major, and as of yet largely unresolved, computational problem in exploration geophysics. In view of this, we consider a numerical mesh, which can be arbitrarily heterogeneous, consisting of two or more concentric rings representing the fluid in the center and the surrounding porous medium. The spatial discretization is based on a Chebyshev expansion in the radial direction and a Fourier expansion in the azimuthal direction and a Runge–Kutta integration scheme for the time evolution. A domain decomposition method is used to match the fluid–solid boundary conditions based on the method of characteristics. This multi-domain approach allows for significant reductions of the number of grid points in the azimuthal direction for the inner grid domain and thus for corresponding increases of the time step and enhancements of computational efficiency. The viability and accuracy of the proposed method has been rigorously tested and verified through comparisons with analytical solutions as well as with the results obtained with a corresponding, previously published, and independently benchmarked solution for 2D Cartesian coordinates. Finally, the proposed numerical solution also satisfies the reciprocity theorem, which indicates that the inherent singularity associated with the origin of the polar coordinate system is adequately handled.

  20. Implementation of domain decomposition and data decomposition algorithms in RMC code

    International Nuclear Information System (INIS)

    Liang, J.G.; Cai, Y.; Wang, K.; She, D.

    2013-01-01

    The applications of Monte Carlo method in reactor physics analysis is somewhat restricted due to the excessive memory demand in solving large-scale problems. Memory demand in MC simulation is analyzed firstly, it concerns geometry data, data of nuclear cross-sections, data of particles, and data of tallies. It appears that tally data is dominant in memory cost and should be focused on in solving the memory problem. Domain decomposition and tally data decomposition algorithms are separately designed and implemented in the reactor Monte Carlo code RMC. Basically, the domain decomposition algorithm is a strategy of 'divide and rule', which means problems are divided into different sub-domains to be dealt with separately and some rules are established to make sure the whole results are correct. Tally data decomposition consists in 2 parts: data partition and data communication. Two algorithms with differential communication synchronization mechanisms are proposed. Numerical tests have been executed to evaluate performance of the new algorithms. Domain decomposition algorithm shows potentials to speed up MC simulation as a space parallel method. As for tally data decomposition algorithms, memory size is greatly reduced

  1. Containment Domains: A Scalable, Efficient and Flexible Resilience Scheme for Exascale Systems

    Directory of Open Access Journals (Sweden)

    Jinsuk Chung

    2013-01-01

    Full Text Available This paper describes and evaluates a scalable and efficient resilience scheme based on the concept of containment domains. Containment domains are a programming construct that enable applications to express resilience needs and to interact with the system to tune and specialize error detection, state preservation and restoration, and recovery schemes. Containment domains have weak transactional semantics and are nested to take advantage of the machine and application hierarchies and to enable hierarchical state preservation, restoration and recovery. We evaluate the scalability and efficiency of containment domains using generalized trace-driven simulation and analytical analysis and show that containment domains are superior to both checkpoint restart and redundant execution approaches.

  2. Assessment of spanwise domain size effect on the transitional flow past an airfoil

    KAUST Repository

    Zhang, Wei

    2015-10-19

    In most large-eddy and direct numerical simulations of flow past an isolated airfoil, the flow is assumed periodic in the spanwise direction. The size of the spanwise domain is an important geometrical parameter determining whether the turbulent flow is fully developed, and whether the separation and transition patterns are accurately modeled. In the present study, we investigate the incompressible flow past an isolated NACA0012 airfoil at the angle of attack of 5 degrees and Reynolds number 5 × 104. The spanwise domain size Lz, represented by the aspect ratio AR=Lz/C where C is the airfoil chord length, is varied in the range 0.1−0.80.1−0.8. The effect of varying the normalized spanwise domain size AR is examined via direct numerical simulation (DNS) on several aspects of the turbulent flow quantities including the time-averaged and time-dependent behavior as well as the spanwise variation of the selected statistical quantities. DNS results reveal that different aspect ratios result in close predictions of the time-averaged aerodynamic quantities, and the velocity field except for a slight difference in the separation bubble. Smaller aspect ratios tend to underpredict the turbulent fluctuations near the separation point but overpredict them inside the separation bubble. Large differences are observed for multiple statistical quantities near the reattachment point, especially the turbulent kinetic energy budget terms. The leading edge separation is notably three-dimensional for simulation at AR=0.8, while remaining quasi-2D for smaller aspect ratios. The spanwise two-point correlation coefficient shows significant dependence on the position of the probe and the velocity component analyzed: small aspect ratios do not produce uncorrelated results for all the velocity components. The simulation results demonstrate that examining only a few statistical quantities may result in a misleading conclusion regarding the sufficiency of the spanwise domain size. Reliable

  3. Assessment of spanwise domain size effect on the transitional flow past an airfoil

    KAUST Repository

    Zhang, Wei; Samtaney, Ravi

    2015-01-01

    In most large-eddy and direct numerical simulations of flow past an isolated airfoil, the flow is assumed periodic in the spanwise direction. The size of the spanwise domain is an important geometrical parameter determining whether the turbulent flow is fully developed, and whether the separation and transition patterns are accurately modeled. In the present study, we investigate the incompressible flow past an isolated NACA0012 airfoil at the angle of attack of 5 degrees and Reynolds number 5 × 104. The spanwise domain size Lz, represented by the aspect ratio AR=Lz/C where C is the airfoil chord length, is varied in the range 0.1−0.80.1−0.8. The effect of varying the normalized spanwise domain size AR is examined via direct numerical simulation (DNS) on several aspects of the turbulent flow quantities including the time-averaged and time-dependent behavior as well as the spanwise variation of the selected statistical quantities. DNS results reveal that different aspect ratios result in close predictions of the time-averaged aerodynamic quantities, and the velocity field except for a slight difference in the separation bubble. Smaller aspect ratios tend to underpredict the turbulent fluctuations near the separation point but overpredict them inside the separation bubble. Large differences are observed for multiple statistical quantities near the reattachment point, especially the turbulent kinetic energy budget terms. The leading edge separation is notably three-dimensional for simulation at AR=0.8, while remaining quasi-2D for smaller aspect ratios. The spanwise two-point correlation coefficient shows significant dependence on the position of the probe and the velocity component analyzed: small aspect ratios do not produce uncorrelated results for all the velocity components. The simulation results demonstrate that examining only a few statistical quantities may result in a misleading conclusion regarding the sufficiency of the spanwise domain size. Reliable

  4. Wavefield Extrapolation in Pseudo-depth Domain

    KAUST Repository

    Ma, Xuxin

    2011-12-11

    Wave-equation based seismic migration and inversion tools are widely used by the energy industry to explore hydrocarbon and mineral resources. By design, most of these techniques simulate wave propagation in a space domain with the vertical axis being depth measured from the surface. Vertical depth is popular because it is a straightforward mapping of the subsurface space. It is, however, not computationally cost-effective because the wavelength changes with local elastic wave velocity, which in general increases with depth in the Earth. As a result, the sampling per wavelength also increases with depth. To avoid spatial aliasing in deep fast media, the seismic wave is oversampled in shallow slow media and therefore increase the total computation cost. This issue is effectively tackled by using the vertical time axis instead of vertical depth. This is because in a vertical time representation, the "wavelength" is essentially time period for vertical rays. This thesis extends the vertical time axis to the pseudo-depth axis, which features distance unit while preserving the properties of the vertical time representation. To explore the potentials of doing wave-equation based imaging in the pseudo-depth domain, a Partial Differential Equation (PDE) is derived to describe acoustic wave in this new domain. This new PDE is inherently anisotropic because the use of a constant vertical velocity to convert between depth and vertical time. Such anisotropy results in lower reflection coefficients compared with conventional space domain modeling results. This feature is helpful to suppress the low wavenumber artifacts in reverse-time migration images, which are caused by the widely used cross-correlation imaging condition. This thesis illustrates modeling acoustic waves in both conventional space domain and pseudo-depth domain. The numerical tool used to model acoustic waves is built based on the lowrank approximation of Fourier integral operators. To investigate the potential

  5. Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes

    International Nuclear Information System (INIS)

    Guzman, Horacio V.; Junghans, Christoph; Kremer, Kurt; Stuehn, Torsten

    2017-01-01

    Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a permanent development of new simulation methods and optimization algorithms. In computational terms, those methods require parallelization schemes that make a productive use of computational resources for each simulation and from its genesis. Here, we introduce the heterogeneous domain decomposition approach, which is a combination of an heterogeneity-sensitive spatial domain decomposition with an a priori rearrangement of subdomain walls. Within this approach and paper, the theoretical modeling and scaling laws for the force computation time are proposed and studied as a function of the number of particles and the spatial resolution ratio. We also show the new approach capabilities, by comparing it to both static domain decomposition algorithms and dynamic load-balancing schemes. Specifically, two representative molecular systems have been simulated and compared to the heterogeneous domain decomposition proposed in this work. Finally, these two systems comprise an adaptive resolution simulation of a biomolecule solvated in water and a phase-separated binary Lennard-Jones fluid.

  6. Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes

    Science.gov (United States)

    Guzman, Horacio V.; Junghans, Christoph; Kremer, Kurt; Stuehn, Torsten

    2017-11-01

    Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a permanent development of new simulation methods and optimization algorithms. In computational terms, those methods require parallelization schemes that make a productive use of computational resources for each simulation and from its genesis. Here, we introduce the heterogeneous domain decomposition approach, which is a combination of an heterogeneity-sensitive spatial domain decomposition with an a priori rearrangement of subdomain walls. Within this approach, the theoretical modeling and scaling laws for the force computation time are proposed and studied as a function of the number of particles and the spatial resolution ratio. We also show the new approach capabilities, by comparing it to both static domain decomposition algorithms and dynamic load-balancing schemes. Specifically, two representative molecular systems have been simulated and compared to the heterogeneous domain decomposition proposed in this work. These two systems comprise an adaptive resolution simulation of a biomolecule solvated in water and a phase-separated binary Lennard-Jones fluid.

  7. Reply to "Domain-growth kinetics of systems with soft walls''

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.; Præstgaard, Eigil

    1988-01-01

    On the basis of computer-simulation results for three different models with soft domain walls it is argued that the zero-temperature domain-growth kinetics falls in a separate universality class characterized by a kinetic growth exponent n≃0.25. However, for finite temperatures there is a distinct...... crossover to Lifshitz-Allen-Cahn kinetics n=0.50, thus suggesting that the soft-wall and hard-wall universality classes become identical at finite temperatures....

  8. Regular periodical public disclosure obligations of public companies

    Directory of Open Access Journals (Sweden)

    Marjanski Vladimir

    2011-01-01

    Full Text Available Public companies in the capacity of capital market participants have the obligation to inform the public on their legal and financial status, their general business operations, as well as on the issuance of securities and other financial instruments. Such obligations may be divided into two groups: The first group consists of regular periodical public disclosures, such as the publication of financial reports (annual, semi-annual and quarterly, and the management's reports on the public company's business operations. The second group comprises the obligation of occasional (ad hoc public disclosure. The thesis analyses the obligation of public companies to inform the public in course of their regular reporting. The new Capital Market Law based on two EU Directives (the Transparency Directive and the Directive on Public Disclosure of Inside Information and the Definition of Market Manipulation regulates such obligation of public companies in substantially more detail than the prior Law on the Market of Securities and Other Financial Instruments (hereinafter: ZTHV. Due to the above the ZTHV's provisions are compared to the new solutions within the domain of regular periodical disclosure of the Capital Market Law.

  9. Domain decomposition methods for the neutron diffusion problem

    International Nuclear Information System (INIS)

    Guerin, P.; Baudron, A. M.; Lautard, J. J.

    2010-01-01

    The neutronic simulation of a nuclear reactor core is performed using the neutron transport equation, and leads to an eigenvalue problem in the steady-state case. Among the deterministic resolution methods, simplified transport (SPN) or diffusion approximations are often used. The MINOS solver developed at CEA Saclay uses a mixed dual finite element method for the resolution of these problems. and has shown his efficiency. In order to take into account the heterogeneities of the geometry, a very fine mesh is generally required, and leads to expensive calculations for industrial applications. In order to take advantage of parallel computers, and to reduce the computing time and the local memory requirement, we propose here two domain decomposition methods based on the MINOS solver. The first approach is a component mode synthesis method on overlapping sub-domains: several Eigenmodes solutions of a local problem on each sub-domain are taken as basis functions used for the resolution of the global problem on the whole domain. The second approach is an iterative method based on a non-overlapping domain decomposition with Robin interface conditions. At each iteration, we solve the problem on each sub-domain with the interface conditions given by the solutions on the adjacent sub-domains estimated at the previous iteration. Numerical results on parallel computers are presented for the diffusion model on realistic 2D and 3D cores. (authors)

  10. Domain Decomposition strategy for pin-wise full-core Monte Carlo depletion calculation with the reactor Monte Carlo Code

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Jingang; Wang, Kan; Qiu, Yishu [Dept. of Engineering Physics, LiuQing Building, Tsinghua University, Beijing (China); Chai, Xiao Ming; Qiang, Sheng Long [Science and Technology on Reactor System Design Technology Laboratory, Nuclear Power Institute of China, Chengdu (China)

    2016-06-15

    Because of prohibitive data storage requirements in large-scale simulations, the memory problem is an obstacle for Monte Carlo (MC) codes in accomplishing pin-wise three-dimensional (3D) full-core calculations, particularly for whole-core depletion analyses. Various kinds of data are evaluated and quantificational total memory requirements are analyzed based on the Reactor Monte Carlo (RMC) code, showing that tally data, material data, and isotope densities in depletion are three major parts of memory storage. The domain decomposition method is investigated as a means of saving memory, by dividing spatial geometry into domains that are simulated separately by parallel processors. For the validity of particle tracking during transport simulations, particles need to be communicated between domains. In consideration of efficiency, an asynchronous particle communication algorithm is designed and implemented. Furthermore, we couple the domain decomposition method with MC burnup process, under a strategy of utilizing consistent domain partition in both transport and depletion modules. A numerical test of 3D full-core burnup calculations is carried out, indicating that the RMC code, with the domain decomposition method, is capable of pin-wise full-core burnup calculations with millions of depletion regions.

  11. The finite-difference time-domain method for electromagnetics with Matlab simulations

    CERN Document Server

    Elsherbeni, Atef Z

    2016-01-01

    This book introduces the powerful Finite-Difference Time-Domain method to students and interested researchers and readers. An effective introduction is accomplished using a step-by-step process that builds competence and confidence in developing complete working codes for the design and analysis of various antennas and microwave devices.

  12. Structure-based design of ligands for protein basic domains: Application to the HIV-1 Tat protein

    Science.gov (United States)

    Filikov, Anton V.; James, Thomas L.

    1998-05-01

    A methodology has been developed for designing ligands to bind a flexible basic protein domain where the structure of the domain is essentially known. It is based on an empirical binding free energy function developed for highly charged complexes and on Monte Carlo simulations in internal coordinates with both the ligand and the receptor being flexible. HIV-1 encodes a transactivating regulatory protein called Tat. Binding of the basic domain of Tat to TAR RNA is required for efficient transcription of the viral genome. The structure of a biologically active peptide containing the Tat basic RNA-binding domain is available from NMR studies. The goal of the current project is to design a ligand which will bind to that basic domain and potentially inhibit the TAR-Tat interaction. The basic domain contains six arginine and two lysine residues. Our strategy was to design a ligand for arginine first and then a superligand for the basic domain by joining arginine ligands with a linker. Several possible arginine ligands were obtained by searching the Available Chemicals Directory with DOCK 3.5 software. Phytic acid, which can potentially bind multiple arginines, was chosen as a building block for the superligand. Calorimetric binding studies of several compounds to methylguanidine and Arg-/Lys-containing peptides were performed. The data were used to develop an empirical binding free energy function for prediction of affinity of the ligands for the Tat basic domain. Modeling of the conformations of the complexes with both the superligand and the basic domain being flexible has been carried out via Biased Probability Monte Carlo (BPMC) simulations in internal coordinates (ICM 2.6 suite of programs). The simulations used parameters to ensure correct folding, i.e., consistent with the experimental NMR structure of a 25-residue Tat peptide, from a random starting conformation. Superligands for the basic domain were designed by joining together two molecules of phytic acid with

  13. Structural refinement of the hERG1 pore and voltage-sensing domains with ROSETTA-membrane and molecular dynamics simulations.

    Science.gov (United States)

    Subbotina, Julia; Yarov-Yarovoy, Vladimir; Lees-Miller, James; Durdagi, Serdar; Guo, Jiqing; Duff, Henry J; Noskov, Sergei Yu

    2010-11-01

    The hERG1 gene (Kv11.1) encodes a voltage-gated potassium channel. Mutations in this gene lead to one form of the Long QT Syndrome (LQTS) in humans. Promiscuous binding of drugs to hERG1 is known to alter the structure/function of the channel leading to an acquired form of the LQTS. Expectably, creation and validation of reliable 3D model of the channel have been a key target in molecular cardiology and pharmacology for the last decade. Although many models were built, they all were limited to pore domain. In this work, a full model of the hERG1 channel is developed which includes all transmembrane segments. We tested a template-driven de-novo design with ROSETTA-membrane modeling using side-chain placements optimized by subsequent molecular dynamics (MD) simulations. Although backbone templates for the homology modeled parts of the pore and voltage sensors were based on the available structures of KvAP, Kv1.2 and Kv1.2-Kv2.1 chimera channels, the missing parts are modeled de-novo. The impact of several alignments on the structure of the S4 helix in the voltage-sensing domain was also tested. Herein, final models are evaluated for consistency to the reported structural elements discovered mainly on the basis of mutagenesis and electrophysiology. These structural elements include salt bridges and close contacts in the voltage-sensor domain; and the topology of the extracellular S5-pore linker compared with that established by toxin foot-printing and nuclear magnetic resonance studies. Implications of the refined hERG1 model to binding of blockers and channels activators (potent new ligands for channel activations) are discussed. © 2010 Wiley-Liss, Inc.

  14. Magnetostatic coupling of 90 domain walls in FeNi/Cu/Co trilayers

    Energy Technology Data Exchange (ETDEWEB)

    Kurde, Julia; Miguel, Jorge; Kuch, Wolfgang [Freie Universitaet, Berlin (Germany); Bayer, Daniela; Aeschlimann, Martin [Technische Universitaet, Kaiserslautern (Germany); Sanchez-Barriga, Jaime; Kronast, Florian; Duerr, Herrmann A. [Helmholtz-Zentrum Berlin fuer Materialien und Energie (Germany)

    2011-07-01

    The magnetic interlayer coupling of FeNi/Cu/Co trilayered microstructures has been studied by means of X-ray magnetic circular dichroism in combination with photoelectron emission microscopy (XMCD-PEEM). We find that a parallel coupling between magnetic domains coexists with a non-parallel coupling between magnetic domain walls of each ferromagnetic layer. We attribute the non-parallel coupling of the two magnetic layers to local magnetic stray fields arising at domain walls in the magnetically harder Co layer. In the magnetically softer FeNi layer non-ordinary domain walls such as 270 and 90 domain walls with overshoot of the magnetization either inwards or outwards relative to the turning direction of the Co magnetization are identified. Micromagnetic simulations reveal that in the absence of magnetocrystalline anisotropy, both types of overshooting domain walls are energetically equivalent. However, if a uniaxial in-plane anisotropy is present, the relative orientation of the domain walls with respect to the anisotropy axis determines which of these domain walls is energetically favorable.

  15. A time domain phase-gradient based ISAR autofocus algorithm

    CSIR Research Space (South Africa)

    Nel, W

    2011-10-01

    Full Text Available . Results on simulated and measured data show that the algorithm performs well. Unlike many other ISAR autofocus techniques, the algorithm does not make use of several computationally intensive iterations between the data and image domains as part...

  16. Use of Web 2.0 Technologies for Public Outreach on a Simulated Mars Mission

    Science.gov (United States)

    Shiro, B.; Palaia, J.; Ferrone, K.

    2009-12-01

    Recent advances in social media and internet communications have revolutionized the ways people interact and disseminate information. Astronauts are already starting to take advantage of these tools by blogging and tweeting from space, and almost all NASA missions now have presences on the major social networking sites. One priority for future human explorers on Mars will be communicating their experiences to the people back on Earth. During July 2009, a six-member crew of volunteers carried out a simulated Mars mission at the Flashline Mars Arctic Research Station (FMARS) on Devon Island in the Canadian Arctic. Living in a habitat, conducting EVAs wearing spacesuits, and observing communication delays with “Earth,” the crew endured restrictions similar to those that will be faced by future human Mars explorers. Throughout the expedition, crewmembers posted regular blog entries, reports, photos, videos, and updates to their website and social media outlets Twitter, Facebook, YouTube, and Picasa Web Albums. During the sixteen EVAs of their field science research campaign, FMARS crewmembers collected GPS track information and took geotagged photos using GPS-enabled cameras. They combined their traverse GPS tracks with photo location information into KML/KMZ files that website visitors can view in Google Maps or Google Earth. Although the crew observed a strict 20-minute communication delay with “Earth” to simulate a real Mars mission, they broke this rule to conduct four very successful live webcasts with student groups using Skype since education and public outreach were important objectives of the endeavor. This presentation will highlight the use of Web 2.0 technologies for public outreach during the simulated Mars expedition and the implications for other remote scientific journeys. The author embarks on a "rover" to carry out an EVA near the FMARS Habitat. The satellite dish to the right of the structure was used for all communications with the remote

  17. Health domains for sale: the need for global health Internet governance.

    Science.gov (United States)

    Mackey, Tim Ken; Liang, Bryan A; Kohler, Jillian C; Attaran, Amir

    2014-03-05

    A debate on Internet governance for health, or "eHealth governance", is emerging with the impending award of a new dot-health (.health) generic top-level domain name (gTLD) along with a host of other health-related domains. This development is critical as it will shape the future of the health Internet, allowing largely unrestricted use of .health second-level domain names by future registrants, raising concerns about the potential for privacy, use and marketing of health-related information, credibility of online health content, and potential for Internet fraud and abuse. Yet, prospective .health gTLD applicants do not provide adequate safeguards for use of .health or related domains and have few or no ties to the global health community. If approved, one of these for-profit corporate applicants would effectively control the future of the .health address on the Internet with arguably no active oversight from important international public health stakeholders. This would represent a lost opportunity for the public health, medical, and broader health community in establishing a trusted, transparent and reliable source for health on the Internet. Countries, medical associations, civil society, and consumer advocates have objected to these applications on grounds that they do not meet the public interest. We argue that there is an immediate need for action to postpone awarding of the .health gTLD and other health-related gTLDs to address these concerns and ensure the appropriate development of sound eHealth governance rules, principles, and use. This would support the crucial need of ensuring access to quality and evidence-based sources of health information online, as well as establishing a safe and reliable space on the Internet for health. We believe, if properly governed, .health and other domains could represent such a promise in the future.

  18. Timetable-based simulation method for choice set generation in large-scale public transport networks

    DEFF Research Database (Denmark)

    Rasmussen, Thomas Kjær; Anderson, Marie Karen; Nielsen, Otto Anker

    2016-01-01

    The composition and size of the choice sets are a key for the correct estimation of and prediction by route choice models. While existing literature has posed a great deal of attention towards the generation of path choice sets for private transport problems, the same does not apply to public...... transport problems. This study proposes a timetable-based simulation method for generating path choice sets in a multimodal public transport network. Moreover, this study illustrates the feasibility of its implementation by applying the method to reproduce 5131 real-life trips in the Greater Copenhagen Area...... and to assess the choice set quality in a complex multimodal transport network. Results illustrate the applicability of the algorithm and the relevance of the utility specification chosen for the reproduction of real-life path choices. Moreover, results show that the level of stochasticity used in choice set...

  19. Fast time- and frequency-domain finite-element methods for electromagnetic analysis

    Science.gov (United States)

    Lee, Woochan

    Fast electromagnetic analysis in time and frequency domain is of critical importance to the design of integrated circuits (IC) and other advanced engineering products and systems. Many IC structures constitute a very large scale problem in modeling and simulation, the size of which also continuously grows with the advancement of the processing technology. This results in numerical problems beyond the reach of existing most powerful computational resources. Different from many other engineering problems, the structure of most ICs is special in the sense that its geometry is of Manhattan type and its dielectrics are layered. Hence, it is important to develop structure-aware algorithms that take advantage of the structure specialties to speed up the computation. In addition, among existing time-domain methods, explicit methods can avoid solving a matrix equation. However, their time step is traditionally restricted by the space step for ensuring the stability of a time-domain simulation. Therefore, making explicit time-domain methods unconditionally stable is important to accelerate the computation. In addition to time-domain methods, frequency-domain methods have suffered from an indefinite system that makes an iterative solution difficult to converge fast. The first contribution of this work is a fast time-domain finite-element algorithm for the analysis and design of very large-scale on-chip circuits. The structure specialty of on-chip circuits such as Manhattan geometry and layered permittivity is preserved in the proposed algorithm. As a result, the large-scale matrix solution encountered in the 3-D circuit analysis is turned into a simple scaling of the solution of a small 1-D matrix, which can be obtained in linear (optimal) complexity with negligible cost. Furthermore, the time step size is not sacrificed, and the total number of time steps to be simulated is also significantly reduced, thus achieving a total cost reduction in CPU time. The second contribution

  20. Modulation of catalytic activity in multi-domain protein tyrosine phosphatases.

    Directory of Open Access Journals (Sweden)

    Lalima L Madan

    Full Text Available Signaling mechanisms involving protein tyrosine phosphatases govern several cellular and developmental processes. These enzymes are regulated by several mechanisms which include variation in the catalytic turnover rate based on redox stimuli, subcellular localization or protein-protein interactions. In the case of Receptor Protein Tyrosine Phosphatases (RPTPs containing two PTP domains, phosphatase activity is localized in their membrane-proximal (D1 domains, while the membrane-distal (D2 domain is believed to play a modulatory role. Here we report our analysis of the influence of the D2 domain on the catalytic activity and substrate specificity of the D1 domain using two Drosophila melanogaster RPTPs as a model system. Biochemical studies reveal contrasting roles for the D2 domain of Drosophila Leukocyte antigen Related (DLAR and Protein Tyrosine Phosphatase on Drosophila chromosome band 99A (PTP99A. While D2 lowers the catalytic activity of the D1 domain in DLAR, the D2 domain of PTP99A leads to an increase in the catalytic activity of its D1 domain. Substrate specificity, on the other hand, is cumulative, whereby the individual specificities of the D1 and D2 domains contribute to the substrate specificity of these two-domain enzymes. Molecular dynamics simulations on structural models of DLAR and PTP99A reveal a conformational rationale for the experimental observations. These studies reveal that concerted structural changes mediate inter-domain communication resulting in either inhibitory or activating effects of the membrane distal PTP domain on the catalytic activity of the membrane proximal PTP domain.

  1. Time-Domain Simulations of Transient Species in Experimentally Relevant Environments

    Energy Technology Data Exchange (ETDEWEB)

    Ueltschi, Tyler W.; Fischer, Sean A.; Apra, Edoardo; Tarnovsky, Alexander N.; Govind, Niranjan; El-Khoury, Patrick Z.; Hess, Wayne P.

    2016-02-04

    Simulating the spectroscopic properties of short-lived thermal and photochemical reaction intermediates and products is a challenging task, as these species often feature atypical molecular and electronic structures. The complex environments in which such species typically reside in practice add further complexity to the problem. Herein, we tackle this problem in silico using ab initio molecular dynamics (AIMD) simulations, employing iso-CHBr3, namely H(Br)C-Br-Br, as a prototypical system. This species was chosen because it features both a non-conventional C-Br-Br bonding pattern, as well as a strong dependence of its spectral features on the local environment in which it resides, as illustrated in recent experimental reports. The spectroscopic properties of iso-CHBr3 were measured by several groups that captured this transient intermediate in the photochemistry of CHBr3 in the gas phase, in rare gas matrices at 5K, and in solution under ambient laboratory conditions. We simulate the UV-Vis and IR spectra of iso-CHBr3 in all three media, including a Ne cluster (64 atoms) and a methylcyclohexane cage (14 solvent molecules) representative of the matrix isolated and solvated species. We exclusively perform fully quantum mechanical static and dynamic simulations. By comparing our condensed phase simulations to their experimental analogues, we stress the importance of (i) conformational sampling, even at cryogenic temperatures, and (ii) using a fully quantum mechanical description of both solute and bath to properly account for the experimental observables.

  2. Simulating propagation of decoupled elastic waves using low-rank approximate mixed-domain integral operators for anisotropic media

    KAUST Repository

    Cheng, Jiubing; Alkhalifah, Tariq Ali; Wu, Zedong; Zou, Peng; Wang, Chenlong

    2016-01-01

    In elastic imaging, the extrapolated vector fields are decoupled into pure wave modes, such that the imaging condition produces interpretable images. Conventionally, mode decoupling in anisotropic media is costly because the operators involved are dependent on the velocity, and thus they are not stationary. We have developed an efficient pseudospectral approach to directly extrapolate the decoupled elastic waves using low-rank approximate mixed-domain integral operators on the basis of the elastic displacement wave equation. We have applied k-space adjustment to the pseudospectral solution to allow for a relatively large extrapolation time step. The low-rank approximation was, thus, applied to the spectral operators that simultaneously extrapolate and decompose the elastic wavefields. Synthetic examples on transversely isotropic and orthorhombic models showed that our approach has the potential to efficiently and accurately simulate the propagations of the decoupled quasi-P and quasi-S modes as well as the total wavefields for elastic wave modeling, imaging, and inversion.

  3. Simulating propagation of decoupled elastic waves using low-rank approximate mixed-domain integral operators for anisotropic media

    KAUST Repository

    Cheng, Jiubing

    2016-03-15

    In elastic imaging, the extrapolated vector fields are decoupled into pure wave modes, such that the imaging condition produces interpretable images. Conventionally, mode decoupling in anisotropic media is costly because the operators involved are dependent on the velocity, and thus they are not stationary. We have developed an efficient pseudospectral approach to directly extrapolate the decoupled elastic waves using low-rank approximate mixed-domain integral operators on the basis of the elastic displacement wave equation. We have applied k-space adjustment to the pseudospectral solution to allow for a relatively large extrapolation time step. The low-rank approximation was, thus, applied to the spectral operators that simultaneously extrapolate and decompose the elastic wavefields. Synthetic examples on transversely isotropic and orthorhombic models showed that our approach has the potential to efficiently and accurately simulate the propagations of the decoupled quasi-P and quasi-S modes as well as the total wavefields for elastic wave modeling, imaging, and inversion.

  4. A Comparison of Students' Conceptual Understanding of Electric Circuits in Simulation Only and Simulation-Laboratory Contexts

    Science.gov (United States)

    Jaakkola, Tomi; Nurmi, Sami; Veermans, Koen

    2011-01-01

    The aim of this experimental study was to compare learning outcomes of students using a simulation alone (simulation environment) with outcomes of those using a simulation in parallel with real circuits (combination environment) in the domain of electricity, and to explore how learning outcomes in these environments are mediated by implicit (only…

  5. Domains and domain loss

    DEFF Research Database (Denmark)

    Haberland, Hartmut

    2005-01-01

    politicians and in the media, especially in the discussion whether some languages undergo ‘domain loss’ vis-à-vis powerful international languages like English. An objection that has been raised here is that domains, as originally conceived, are parameters of language choice and not properties of languages...

  6. A Fast, Efficient Domain Adaptation Technique for Cross-Domain Electroencephalography(EEG-Based Emotion Recognition

    Directory of Open Access Journals (Sweden)

    Xin Chai

    2017-05-01

    Full Text Available Electroencephalography (EEG-based emotion recognition is an important element in psychiatric health diagnosis for patients. However, the underlying EEG sensor signals are always non-stationary if they are sampled from different experimental sessions or subjects. This results in the deterioration of the classification performance. Domain adaptation methods offer an effective way to reduce the discrepancy of marginal distribution. However, for EEG sensor signals, both marginal and conditional distributions may be mismatched. In addition, the existing domain adaptation strategies always require a high level of additional computation. To address this problem, a novel strategy named adaptive subspace feature matching (ASFM is proposed in this paper in order to integrate both the marginal and conditional distributions within a unified framework (without any labeled samples from target subjects. Specifically, we develop a linear transformation function which matches the marginal distributions of the source and target subspaces without a regularization term. This significantly decreases the time complexity of our domain adaptation procedure. As a result, both marginal and conditional distribution discrepancies between the source domain and unlabeled target domain can be reduced, and logistic regression (LR can be applied to the new source domain in order to train a classifier for use in the target domain, since the aligned source domain follows a distribution which is similar to that of the target domain. We compare our ASFM method with six typical approaches using a public EEG dataset with three affective states: positive, neutral, and negative. Both offline and online evaluations were performed. The subject-to-subject offline experimental results demonstrate that our component achieves a mean accuracy and standard deviation of 80.46% and 6.84%, respectively, as compared with a state-of-the-art method, the subspace alignment auto-encoder (SAAE, which

  7. Improving the performance of DomainDiscovery of protein domain boundary assignment using inter-domain linker index

    Directory of Open Access Journals (Sweden)

    Zomaya Albert Y

    2006-12-01

    Full Text Available Abstract Background Knowledge of protein domain boundaries is critical for the characterisation and understanding of protein function. The ability to identify domains without the knowledge of the structure – by using sequence information only – is an essential step in many types of protein analyses. In this present study, we demonstrate that the performance of DomainDiscovery is improved significantly by including the inter-domain linker index value for domain identification from sequence-based information. Improved DomainDiscovery uses a Support Vector Machine (SVM approach and a unique training dataset built on the principle of consensus among experts in defining domains in protein structure. The SVM was trained using a PSSM (Position Specific Scoring Matrix, secondary structure, solvent accessibility information and inter-domain linker index to detect possible domain boundaries for a target sequence. Results Improved DomainDiscovery is compared with other methods by benchmarking against a structurally non-redundant dataset and also CASP5 targets. Improved DomainDiscovery achieves 70% accuracy for domain boundary identification in multi-domains proteins. Conclusion Improved DomainDiscovery compares favourably to the performance of other methods and excels in the identification of domain boundaries for multi-domain proteins as a result of introducing support vector machine with benchmark_2 dataset.

  8. Estimating the Cost of Providing Foundational Public Health Services.

    Science.gov (United States)

    Mamaril, Cezar Brian C; Mays, Glen P; Branham, Douglas Keith; Bekemeier, Betty; Marlowe, Justin; Timsina, Lava

    2017-12-28

    To estimate the cost of resources required to implement a set of Foundational Public Health Services (FPHS) as recommended by the Institute of Medicine. A stochastic simulation model was used to generate probability distributions of input and output costs across 11 FPHS domains. We used an implementation attainment scale to estimate costs of fully implementing FPHS. We use data collected from a diverse cohort of 19 public health agencies located in three states that implemented the FPHS cost estimation methodology in their agencies during 2014-2015. The average agency incurred costs of $48 per capita implementing FPHS at their current attainment levels with a coefficient of variation (CV) of 16 percent. Achieving full FPHS implementation would require $82 per capita (CV=19 percent), indicating an estimated resource gap of $34 per capita. Substantial variation in costs exists across communities in resources currently devoted to implementing FPHS, with even larger variation in resources needed for full attainment. Reducing geographic inequities in FPHS may require novel financing mechanisms and delivery models that allow health agencies to have robust roles within the health system and realize a minimum package of public health services for the nation. © Health Research and Educational Trust.

  9. Impact of spectral nudging and domain size in studies of RCM response to parameter modification

    Energy Technology Data Exchange (ETDEWEB)

    Separovic, Leo; Laprise, Rene [Universite du Quebec a Montreal, Centre pour l' Etude et la Simulation du Climat a l' Echelle Regionale (ESCER), Montreal, QC (Canada); Universite du Quebec a Montreal (UQAM), Montreal, QC (Canada); Elia, Ramon de [Universite du Quebec a Montreal, Centre pour l' Etude et la Simulation du Climat a l' Echelle Regionale (ESCER), Montreal, QC (Canada); Consortium Ouranos, Montreal, QC (Canada)

    2012-04-15

    The paper aims at finding an RCM configuration that facilitates studies devoted to quantifying RCM response to parameter modification. When using short integration times, the response of the time-averaged variables to RCM modification tend to be blurred by the noise originating in the lack of predictability of the instantaneous atmospheric states. Two ways of enhancing the signal-to-noise ratio are studied in this work: spectral nudging and reduction of the computational domain size. The approach followed consists in the analysis of the sensitivity of RCM-simulated seasonal averages to perturbations of two parameters controlling deep convection and stratiform condensation, perturbed one at a time. Sensitivity is analyzed within different simulation configurations obtained by varying domain size and using the spectral nudging option. For each combination of these factors multiple members of identical simulations that differ exclusively in initial conditions are also generated to provide robust estimates of the sensitivities (the signal) and sample the noise. Results show that the noise magnitude is decreased both by reduction of domain size and the spectral nudging. However, the reduction of domain size alters some sensitivity signals. When spectral nudging is used significant alterations of the signal are not found. (orig.)

  10. Columbia Public Health Core Curriculum: Short-Term Impact.

    Science.gov (United States)

    Begg, Melissa D; Fried, Linda P; Glover, Jim W; Delva, Marlyn; Wiggin, Maggie; Hooper, Leah; Saxena, Roheeni; de Pinho, Helen; Slomin, Emily; Walker, Julia R; Galea, Sandro

    2015-12-01

    We evaluated a transformed core curriculum for the Columbia University, Mailman School of Public Health (New York, New York) master of public health (MPH) degree. The curriculum, launched in 2012, aims to teach public health as it is practiced: in interdisciplinary teams, drawing on expertise from multiple domains to address complex health challenges. We collected evaluation data starting when the first class of students entered the program and ending with their graduation in May 2014. Students reported being very satisfied with and challenged by the rigorous curriculum and felt prepared to integrate concepts across varied domains and disciplines to solve public health problems. This novel interdisciplinary program could serve as a prototype for other schools that wish to reinvigorate MPH training.

  11. Going from microscopic to macroscopic on nonuniform growing domains.

    Science.gov (United States)

    Yates, Christian A; Baker, Ruth E; Erban, Radek; Maini, Philip K

    2012-08-01

    Throughout development, chemical cues are employed to guide the functional specification of underlying tissues while the spatiotemporal distributions of such chemicals can be influenced by the growth of the tissue itself. These chemicals, termed morphogens, are often modeled using partial differential equations (PDEs). The connection between discrete stochastic and deterministic continuum models of particle migration on growing domains was elucidated by Baker, Yates, and Erban [Bull. Math. Biol. 72, 719 (2010)] in which the migration of individual particles was modeled as an on-lattice position-jump process. We build on this work by incorporating a more physically reasonable description of domain growth. Instead of allowing underlying lattice elements to instantaneously double in size and divide, we allow incremental element growth and splitting upon reaching a predefined threshold size. Such a description of domain growth necessitates a nonuniform partition of the domain. We first demonstrate that an individual-based stochastic model for particle diffusion on such a nonuniform domain partition is equivalent to a PDE model of the same phenomenon on a nongrowing domain, providing the transition rates (which we derive) are chosen correctly and we partition the domain in the correct manner. We extend this analysis to the case where the domain is allowed to change in size, altering the transition rates as necessary. Through application of the master equation formalism we derive a PDE for particle density on this growing domain and corroborate our findings with numerical simulations.

  12. Modes of Interaction of Pleckstrin Homology Domains with Membranes: Toward a Computational Biochemistry of Membrane Recognition.

    Science.gov (United States)

    Naughton, Fiona B; Kalli, Antreas C; Sansom, Mark S P

    2018-02-02

    Pleckstrin homology (PH) domains mediate protein-membrane interactions by binding to phosphatidylinositol phosphate (PIP) molecules. The structural and energetic basis of selective PH-PIP interactions is central to understanding many cellular processes, yet the molecular complexities of the PH-PIP interactions are largely unknown. Molecular dynamics simulations using a coarse-grained model enables estimation of free-energy landscapes for the interactions of 12 different PH domains with membranes containing PIP 2 or PIP 3 , allowing us to obtain a detailed molecular energetic understanding of the complexities of the interactions of the PH domains with PIP molecules in membranes. Distinct binding modes, corresponding to different distributions of cationic residues on the PH domain, were observed, involving PIP interactions at either the "canonical" (C) and/or "alternate" (A) sites. PH domains can be grouped by the relative strength of their C- and A-site interactions, revealing that a higher affinity correlates with increased C-site interactions. These simulations demonstrate that simultaneous binding of multiple PIP molecules by PH domains contributes to high-affinity membrane interactions, informing our understanding of membrane recognition by PH domains in vivo. Copyright © 2017. Published by Elsevier Ltd.

  13. Domain reversal dynamics in ferromagnetic thin films of Co/Pd nanomultilayers

    International Nuclear Information System (INIS)

    Choe, Sug Bong; Kim, Dong Hyun; Shin, Sung Chul

    2002-01-01

    Domain reversal dynamics in ferromagnetic thin films has been quantitatively investigated by means of a magneto-optical microscope magnetometer (MOMM), capable of grabbing domain reversal patterns in real time under an applied magnetic field and of measuring local magnetic properties with 400-nm spatial resolution. The domain reversal behavior sensitively changed between wall-motion and nucleation-dominant behavior with changing multilayer structure of the Co-Pd multilayers. Quantitative analysis revealed that the contrasting reversal behavior was mainly caused by a sensitive change in wall-motion speed and that the reversal ratio of wall-motion speed over nucleation rate was a governing parameter for the contrasting domain reversal dynamics. The activation volumes of the wall-motion and nucleation processes were generally unequal, and the inequality was closely related with the domain dynamics. Based on a Monte-Carlo simulation, both the macroscopic magnetic properties and the local magnetic variation were responsible for the contrasting domain reversal behavior

  14. Simulation tools for robotics research and assessment

    Science.gov (United States)

    Fields, MaryAnne; Brewer, Ralph; Edge, Harris L.; Pusey, Jason L.; Weller, Ed; Patel, Dilip G.; DiBerardino, Charles A.

    2016-05-01

    The Robotics Collaborative Technology Alliance (RCTA) program focuses on four overlapping technology areas: Perception, Intelligence, Human-Robot Interaction (HRI), and Dexterous Manipulation and Unique Mobility (DMUM). In addition, the RCTA program has a requirement to assess progress of this research in standalone as well as integrated form. Since the research is evolving and the robotic platforms with unique mobility and dexterous manipulation are in the early development stage and very expensive, an alternate approach is needed for efficient assessment. Simulation of robotic systems, platforms, sensors, and algorithms, is an attractive alternative to expensive field-based testing. Simulation can provide insight during development and debugging unavailable by many other means. This paper explores the maturity of robotic simulation systems for applications to real-world problems in robotic systems research. Open source (such as Gazebo and Moby), commercial (Simulink, Actin, LMS), government (ANVEL/VANE), and the RCTA-developed RIVET simulation environments are examined with respect to their application in the robotic research domains of Perception, Intelligence, HRI, and DMUM. Tradeoffs for applications to representative problems from each domain are presented, along with known deficiencies and disadvantages. In particular, no single robotic simulation environment adequately covers the needs of the robotic researcher in all of the domains. Simulation for DMUM poses unique constraints on the development of physics-based computational models of the robot, the environment and objects within the environment, and the interactions between them. Most current robot simulations focus on quasi-static systems, but dynamic robotic motion places an increased emphasis on the accuracy of the computational models. In order to understand the interaction of dynamic multi-body systems, such as limbed robots, with the environment, it may be necessary to build component

  15. Minimizing patient waiting time in emergency department of public hospital using simulation optimization approach

    Science.gov (United States)

    Ibrahim, Ireen Munira; Liong, Choong-Yeun; Bakar, Sakhinah Abu; Ahmad, Norazura; Najmuddin, Ahmad Farid

    2017-04-01

    Emergency department (ED) is the main unit of a hospital that provides emergency treatment. Operating 24 hours a day with limited number of resources invites more problems to the current chaotic situation in some hospitals in Malaysia. Delays in getting treatments that caused patients to wait for a long period of time are among the frequent complaints against government hospitals. Therefore, the ED management needs a model that can be used to examine and understand resource capacity which can assist the hospital managers to reduce patients waiting time. Simulation model was developed based on 24 hours data collection. The model developed using Arena simulation replicates the actual ED's operations of a public hospital in Selangor, Malaysia. The OptQuest optimization in Arena is used to find the possible combinations of a number of resources that can minimize patients waiting time while increasing the number of patients served. The simulation model was modified for improvement based on results from OptQuest. The improvement model significantly improves ED's efficiency with an average of 32% reduction in average patients waiting times and 25% increase in the total number of patients served.

  16. Cross Domain Deterrence: Livermore Technical Report, 2014-2016

    Energy Technology Data Exchange (ETDEWEB)

    Barnes, Peter D. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Bahney, Ben [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Matarazzo, Celeste [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Markey, Michael [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Pearl, Jonathan [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2016-08-03

    Lawrence Livermore National Laboratory (LLNL) is an original collaborator on the project titled “Deterring Complex Threats: The Effects of Asymmetry, Interdependence, and Multi-polarity on International Strategy,” (CDD Project) led by the UC Institute on Global Conflict and Cooperation at UCSD under PIs Jon Lindsay and Erik Gartzke , and funded through the DoD Minerva Research Initiative. In addition to participating in workshops and facilitating interaction among UC social scientists, LLNL is leading the computational modeling effort and assisting with empirical case studies to probe the viability of analytic, modeling and data analysis concepts. This report summarizes LLNL work on the CDD Project to date, primarily in Project Years 1-2, corresponding to Federal fiscal year 2015. LLNL brings two unique domains of expertise to bear on this Project: (1) access to scientific expertise on the technical dimensions of emerging threat technology, and (2) high performance computing (HPC) expertise, required for analyzing the complexity of bargaining interactions in the envisioned threat models. In addition, we have a small group of researchers trained as social scientists who are intimately familiar with the International Relations research. We find that pairing simulation scientists, who are typically trained in computer science, with domain experts, social scientists in this case, is the most effective route to developing powerful new simulation tools capable of representing domain concepts accurately and answering challenging questions in the field.

  17. 2017 Emerging Technology Domains Risk Survey

    Science.gov (United States)

    2017-10-01

    REV-03.18.2016.0 2017 Emerging Technology Domains Risk Survey Daniel Klinedinst Joel Land Kyle O’Meara October 2017 TECHNICAL REPORT CMU/SEI...Distribution Statement A: Approved for Public Release. Distribution is Unlimited. List of Tables Table 1: New and Emerging Technologies 2 Table 2: Security...Impact of New and Emerging Technologies 4 Table 3: Severity Classifications and Impact Scores 5 CMU/SEI-2017-TR-008 | SOFTWARE ENGINEERING

  18. 2016 Emerging Technology Domains Risk Survey

    Science.gov (United States)

    2016-04-05

    measures upon which the CERT/CC based its recommendations and how each domain was triaged for importance. 6. Exploitation Examples details concepts or...Distribution Statement A: Approved for Public Release; Distribution is Unlimited 2 Methodology A measured approach to analysis is required when...only a few vehicles had access to a cellular Internet connection, and only at 3G speeds. Some vehicles already have LTE connections, and many

  19. Domain Wall Motion in Magnetic Nanostrips under the Influence of Rashba Field

    Directory of Open Access Journals (Sweden)

    Vito Puliafito

    2012-01-01

    Full Text Available Spin-orbit Rashba effect applies a torque on the magnetization of a ferromagnetic nanostrip in the case of structural inversion asymmetry, also affecting the steady domain wall motion induced by a spin-polarized current. This influence is here analytically studied in the framework of the extended Landau-Lifshitz-Gilbert equation, including the Rashba effect as an additive term of the effective field. Results of previous micromagnetic simulations and experiments have shown that this field yields an increased value of the Walker breakdown current together with an enlargement of the domain wall width. In order to analytically describe these results, the standard travelling wave ansatz for the steady domain wall motion is here adopted. Results of our investigations reveal the impossibility to reproduce, at the same time, the previous features and suggest the need of a more sophisticated model whose development requires, in turn, additional information to be extracted from ad hoc micromagnetic simulations.

  20. DRO: domain-based route optimization scheme for nested mobile networks

    Directory of Open Access Journals (Sweden)

    Chuang Ming-Chin

    2011-01-01

    Full Text Available Abstract The network mobility (NEMO basic support protocol is designed to support NEMO management, and to ensure communication continuity between nodes in mobile networks. However, in nested mobile networks, NEMO suffers from the pinball routing problem, which results in long packet transmission delays. To solve the problem, we propose a domain-based route optimization (DRO scheme that incorporates a domain-based network architecture and ad hoc routing protocols for route optimization. DRO also improves the intra-domain handoff performance, reduces the convergence time during route optimization, and avoids the out-of-sequence packet problem. A detailed performance analysis and simulations were conducted to evaluate the scheme. The results demonstrate that DRO outperforms existing mechanisms in terms of packet transmission delay (i.e., better route-optimization, intra-domain handoff latency, convergence time, and packet tunneling overhead.

  1. Using Sentence-Level Classifiers for Cross-Domain Sentiment Analysis

    Science.gov (United States)

    2014-09-01

    National Defence, 2014 © Sa Majesté la Reine (en droit du Canada), telle que représentée par le ministre de la Défense nationale, 2014 DRDC-RDDC...domain sentiment classification via spectral feature alignment. In Proceedings of the 19th international conference on World Wide Web, WWW ’10...Dennis, S. 5. DATE OF PUBLICATION (Month and year of publication of document.) September 2014 6a. NO. OF PAGES (Total containing information

  2. An Evaluation on Iran International Public Health Summer School in Relation to its Efficacy Based on Participants' Experience and Opinions.

    Science.gov (United States)

    Parnia, Aidin; Yamani, Nikoo; Zamani, Ahmadreza; Badihian, Shervin; Manouchehri, Navid; Fakhri, Maryam

    2017-01-01

    A serious challenge to educate health staff for public health is to appear encouraging enough to persuade them for learning issues on this field and implementing new educational methods and innovative ways. Iran International Public Health Summer School (IPHS) made an effort to provide medical sciences students with a fortune to get familiar with and involved in public health. This study intended to evaluate the efficacy of this event. This cross-sectional study was performed in March-April 2015 by the help of an electronic self-administered questionnaire filled out by 49 Iranian participants 6 months after IPHS2014. The questionnaire assessed the main goals in seven main domains: Interest, activities, and general knowledge in the field of public health, general skills, educational methods, educational and executive schedules, and general satisfaction. Average scores of all domains were >3 (the mean), and all were statistically significant. The highest average score belonged to educational methods (3.92) and the lowest was calculated for the item regarding participants' activities on public health (3.5). No significant difference was found between positive answers of individuals who were interested or active in public health prior to the event and those who had no background. We believe IPHS was a unique instance in Public Health Education in Iran. Considering the level of success of this program to reach its goals for both students' with or without any previous background on public health, it is recommended as a general model to be simulated in other developing countries.

  3. Numerical solutions of ordinary and partial differential equations in the frequency domain

    International Nuclear Information System (INIS)

    Hazi, G.; Por, G.

    1997-01-01

    Numerical problems during the noise simulation in a nuclear power plant are discussed. The solutions of ordinary and partial differential equations are studied in the frequency domain. Numerical methods by the transfer function method are applied. It is shown that the correctness of the numerical methods is limited for ordinary differential equations in the frequency domain. To overcome the difficulties, step-size selection is suggested. (author)

  4. Means of escape provisions and evacuation simulation of public building in Malaysia and Singapore

    Science.gov (United States)

    Samad, Muna Hanim Abdul; Taib, Nooriati; Ying, Choo Siew

    2017-10-01

    The Uniform Building By-law 1984 of Malaysia is the legal document governing fire safety requirements in buildings. Its prescriptive nature has made the requirements out dated from the viewpoint of current performance based approach in most developed countries. The means of escape provisions is a critical requirement to safeguard occupants' safety in fire especially in public buildings. As stipulated in the UBBL 1984, the means of escape provisions includes sufficient escape routes, travel distance, protection of escape routes, etc. designated as means to allow occupants to escape within a safe period of time. This research aims at investigating the effectiveness of those provisions in public buildings during evacuation process involving massive crowd during emergencies. This research includes a scenario-based study on evacuation processes using two software i.e. PyroSim, a crowd modelling software to conduct smoke study and Pathfinder to stimulate evacuation model of building in Malaysia and Singapore as comparative study. The results show that the buildings used as case study were designed according to Malaysian UBBL 1984 and Singapore Firecode, 2013 respectively provide relative safe means of escape. The simulations of fire and smoke and coupled with simulation of evacuation have demonstrated that although there are adequate exits designated according to fire requirements, the impact of the geometry of atriums on the behavior of fire and smoke have significant effect on escape time especially for unfamiliar user of the premises.

  5. Reclaiming public space: designing for public interaction with private devices

    DEFF Research Database (Denmark)

    Eriksson, Eva; Hansen, Thomas Riisgaard; Lykke-Olesen, Andreas

    2007-01-01

    . In this paper we explore the implications of interacting in public space and how technology can be rethought to not only act as personal devices, but be the tool to reclaim the right and possibility to interact in public spaces. We introduce information exchange, social support and regulation as three central......Public spaces are changing from being ungoverned places for interaction to be more formalized, controlled, less interactive, and designed places aimed at fulfilling a purpose. Simultaneously, new personal mobile technology aims at providing private individual spaces in the public domain...... aspects for reclaiming public space. The PhotoSwapper application is presented as an example of a system designed to integrate pervasive technology in a public setting. The system is strongly inspired by the activities at a traditional market place. Based on the design of the application we discuss four...

  6. Spectral element method for elastic and acoustic waves in frequency domain

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Linlin; Zhou, Yuanguo; Wang, Jia-Min; Zhuang, Mingwei [Institute of Electromagnetics and Acoustics, and Department of Electronic Science, Xiamen, 361005 (China); Liu, Na, E-mail: liuna@xmu.edu.cn [Institute of Electromagnetics and Acoustics, and Department of Electronic Science, Xiamen, 361005 (China); Liu, Qing Huo, E-mail: qhliu@duke.edu [Department of Electrical and Computer Engineering, Duke University, Durham, NC, 27708 (United States)

    2016-12-15

    Numerical techniques in time domain are widespread in seismic and acoustic modeling. In some applications, however, frequency-domain techniques can be advantageous over the time-domain approach when narrow band results are desired, especially if multiple sources can be handled more conveniently in the frequency domain. Moreover, the medium attenuation effects can be more accurately and conveniently modeled in the frequency domain. In this paper, we present a spectral-element method (SEM) in frequency domain to simulate elastic and acoustic waves in anisotropic, heterogeneous, and lossy media. The SEM is based upon the finite-element framework and has exponential convergence because of the use of GLL basis functions. The anisotropic perfectly matched layer is employed to truncate the boundary for unbounded problems. Compared with the conventional finite-element method, the number of unknowns in the SEM is significantly reduced, and higher order accuracy is obtained due to its spectral accuracy. To account for the acoustic-solid interaction, the domain decomposition method (DDM) based upon the discontinuous Galerkin spectral-element method is proposed. Numerical experiments show the proposed method can be an efficient alternative for accurate calculation of elastic and acoustic waves in frequency domain.

  7. Supporting interpretation of dynamic simulation. Application to chemical kinetic models; Aides a l`interpretation de simulations dynamiques. Application aux modeles de cinetique chimique

    Energy Technology Data Exchange (ETDEWEB)

    Braunschweig, B

    1998-04-22

    Numerous scientific and technical domains make constant use of dynamical simulations. Such simulators are put in the hands of a growing number of users. This phenomenon is due both to the extraordinary increase in computing performance, and to better graphical user interfaces which make simulation models easy to operate. But simulators are still computer programs which produce series of numbers from other series of numbers, even if they are displayed graphically. This thesis presents new interaction paradigms between a dynamical simulator and its user. The simulator produces a self-made interpretation of its results, thanks to a dedicated representation of its domain with objects. It shows dominant cyclic mechanisms identified by their instantaneous loop gain estimates, it uses a notion of episodes for splitting the simulation into homogeneous time intervals, and completes this by animations which rely on the graphical structure of the system. These new approaches are demonstrated with examples from chemical kinetics, because of the energic and exemplary characteristics of the encountered behaviors. They are implemented in the Spike software, Software Platform for Interactive Chemical Kinetics Experiments. Similar concepts are also shown in two other domains: interpretation of seismic wave propagation, and simulation of large projects. (author) 95 refs.

  8. Depiction of global trends in publications on mobile health

    Directory of Open Access Journals (Sweden)

    Shahla Foozonkhah

    2017-07-01

    Full Text Available Background: Variety of mobile health initiatives in different levels have been undertaken across many countries. Trends of these initiatives can be reflected in the research published in m-health domain. Aim: This paper aims to depict global trends in the published works on m-health topic. Materials and Methods: The Web of Science database was used to identify all relevant published papers on mobile health domain worldwide. The search was conducted on documents published from January 1898 to December 2014. The criteria for searching were set to be “mHealth” or “Mobile health” or “m health” or “m_health” or “m-health” in topics. Results: Findings revealed an increasing trend of citations and publications on m-health research since 2012. English was the first most predominant language of the publication. The US had the highest number of publication with 649 papers; however, the Netherlands ranked first after considering publication number in terms of countries population. “Studies in Health Technology and Informatics” was the source title with highest number of publications on mobile health topics. Conclusion: Trend of research observed in this study indicates the continuing growth is happening in mobile health domain. This may imply that the new model of health-care delivery is emerging. Further research is needed to specify directions of mobile health research. It is necessary to identify and prioritize the research gaps in this domain.

  9. Dislocation dynamics in non-convex domains using finite elements with embedded discontinuities

    Science.gov (United States)

    Romero, Ignacio; Segurado, Javier; LLorca, Javier

    2008-04-01

    The standard strategy developed by Van der Giessen and Needleman (1995 Modelling Simul. Mater. Sci. Eng. 3 689) to simulate dislocation dynamics in two-dimensional finite domains was modified to account for the effect of dislocations leaving the crystal through a free surface in the case of arbitrary non-convex domains. The new approach incorporates the displacement jumps across the slip segments of the dislocations that have exited the crystal within the finite element analysis carried out to compute the image stresses on the dislocations due to the finite boundaries. This is done in a simple computationally efficient way by embedding the discontinuities in the finite element solution, a strategy often used in the numerical simulation of crack propagation in solids. Two academic examples are presented to validate and demonstrate the extended model and its implementation within a finite element program is detailed in the appendix.

  10. Dislocation dynamics in non-convex domains using finite elements with embedded discontinuities

    International Nuclear Information System (INIS)

    Romero, Ignacio; Segurado, Javier; LLorca, Javier

    2008-01-01

    The standard strategy developed by Van der Giessen and Needleman (1995 Modelling Simul. Mater. Sci. Eng. 3 689) to simulate dislocation dynamics in two-dimensional finite domains was modified to account for the effect of dislocations leaving the crystal through a free surface in the case of arbitrary non-convex domains. The new approach incorporates the displacement jumps across the slip segments of the dislocations that have exited the crystal within the finite element analysis carried out to compute the image stresses on the dislocations due to the finite boundaries. This is done in a simple computationally efficient way by embedding the discontinuities in the finite element solution, a strategy often used in the numerical simulation of crack propagation in solids. Two academic examples are presented to validate and demonstrate the extended model and its implementation within a finite element program is detailed in the appendix

  11. Perfectly matched layer method in the finite-difference time-domain and frequency-domain calculations

    DEFF Research Database (Denmark)

    Shyroki, Dzmitry; Lavrinenko, Andrei

    2007-01-01

    A complex-coordinate method known under the guise of the perfectly matched layer (PML) method for treating unbounded domains in computational electrodynamics is related to similar techniques in fluid dynamics and classical quantum theory. It may also find use in electronic-structure finite......-difference simulations. Straightforward transfer of the PML formulation to other fields does not seem feasible, however, since it is a unique feature of electrodynamics - the natural invariance - that allows analytic trick of complex coordinate scaling to be represented as pure modification of local material parameters...

  12. Langevin equations with multiplicative noise: application to domain growth

    International Nuclear Information System (INIS)

    Sancho, J.M.; Hernandez-Machado, A.; Ramirez-Piscina, L.; Lacasta, A.M.

    1993-01-01

    Langevin equations of Ginzburg-Landau form with multiplicative noise, are proposed to study the effects of fluctuations in domain growth. These equations are derived from a coarse-grained methodology. The Cahn-Hilliard-Cook linear stability analysis predicts some effects in the transitory regime. We also derive numerical algorithms for the computer simulation of these equations. The numerical results corroborate the analytical productions of the linear analysis. We also present simulation results for spinodal decomposition at large times. (author). 28 refs, 2 figs

  13. Models for randomly distributed nanoscopic domains on spherical vesicles

    Science.gov (United States)

    Anghel, Vinicius N. P.; Bolmatov, Dima; Katsaras, John

    2018-06-01

    The existence of lipid domains in the plasma membrane of biological systems has proven controversial, primarily due to their nanoscopic size—a length scale difficult to interrogate with most commonly used experimental techniques. Scattering techniques have recently proven capable of studying nanoscopic lipid domains populating spherical vesicles. However, the development of analytical methods able of predicting and analyzing domain pair correlations from such experiments has not kept pace. Here, we developed models for the random distribution of monodisperse, circular nanoscopic domains averaged on the surface of a spherical vesicle. Specifically, the models take into account (i) intradomain correlations corresponding to form factors and interdomain correlations corresponding to pair distribution functions, and (ii) the analytical computation of interdomain correlations for cases of two and three domains on a spherical vesicle. In the case of more than three domains, these correlations are treated either by Monte Carlo simulations or by spherical analogs of the Ornstein-Zernike and Percus-Yevick (PY) equations. Importantly, the spherical analog of the PY equation works best in the case of nanoscopic size domains, a length scale that is mostly inaccessible by experimental approaches such as, for example, fluorescent techniques and optical microscopies. The analytical form factors and structure factors of nanoscopic domains populating a spherical vesicle provide a new and important framework for the quantitative analysis of experimental data from commonly studied phase-separated vesicles used in a wide range of biophysical studies.

  14. Ensembler: Enabling High-Throughput Molecular Simulations at the Superfamily Scale.

    Directory of Open Access Journals (Sweden)

    Daniel L Parton

    2016-06-01

    Full Text Available The rapidly expanding body of available genomic and protein structural data provides a rich resource for understanding protein dynamics with biomolecular simulation. While computational infrastructure has grown rapidly, simulations on an omics scale are not yet widespread, primarily because software infrastructure to enable simulations at this scale has not kept pace. It should now be possible to study protein dynamics across entire (superfamilies, exploiting both available structural biology data and conformational similarities across homologous proteins. Here, we present a new tool for enabling high-throughput simulation in the genomics era. Ensembler takes any set of sequences-from a single sequence to an entire superfamily-and shepherds them through various stages of modeling and refinement to produce simulation-ready structures. This includes comparative modeling to all relevant PDB structures (which may span multiple conformational states of interest, reconstruction of missing loops, addition of missing atoms, culling of nearly identical structures, assignment of appropriate protonation states, solvation in explicit solvent, and refinement and filtering with molecular simulation to ensure stable simulation. The output of this pipeline is an ensemble of structures ready for subsequent molecular simulations using computer clusters, supercomputers, or distributed computing projects like Folding@home. Ensembler thus automates much of the time-consuming process of preparing protein models suitable for simulation, while allowing scalability up to entire superfamilies. A particular advantage of this approach can be found in the construction of kinetic models of conformational dynamics-such as Markov state models (MSMs-which benefit from a diverse array of initial configurations that span the accessible conformational states to aid sampling. We demonstrate the power of this approach by constructing models for all catalytic domains in the human

  15. Control of domain wall pinning by localised focused Ga + ion irradiation on Au capped NiFe nanowires

    International Nuclear Information System (INIS)

    Burn, D. M.; Atkinson, D.

    2014-01-01

    Understanding domain wall pinning and propagation in nanowires are important for future spintronics and nanoparticle manipulation technologies. Here, the effects of microscopic local modification of the magnetic properties, induced by focused-ion-beam intermixing, in NiFe/Au bilayer nanowires on the pinning behavior of domain walls was investigated. The effects of irradiation dose and the length of the irradiated features were investigated experimentally. The results are considered in the context of detailed quasi-static micromagnetic simulations, where the ion-induced modification was represented as a local reduction of the saturation magnetization. Simulations show that domain wall pinning behavior depends on the magnitude of the magnetization change, the length of the modified region, and the domain wall structure. Comparative analysis indicates that reduced saturation magnetisation is not solely responsible for the experimentally observed pinning behavior.

  16. Anxiolytic-like effect of oxytocin in the simulated public speaking test.

    Science.gov (United States)

    de Oliveira, Danielle C G; Zuardi, Antonio W; Graeff, Frederico G; Queiroz, Regina H C; Crippa, José A S

    2012-04-01

    Oxytocin (OT) is known to be involved in anxiety, as well as cardiovascular and hormonal regulation. The objective of this study was to assess the acute effect of intranasally administered OT on subjective states, as well as cardiovascular and endocrine parameters, in healthy volunteers (n = 14) performing a simulated public speaking test. OT or placebo was administered intranasally 50 min before the test. Assessments were made across time during the experimental session: (1) baseline (-30 min); (2) pre-test (-15 min); (3) anticipation of the speech (50 min); (4) during the speech (1:03 h), post-test time 1 (1:26 h), and post-test time 2 (1:46 h). Subjective states were evaluated by self-assessment scales. Cortisol serum and plasma adrenocorticotropic hormone (ACTH) were measured. Additionally, heart rate, blood pressure, skin conductance, and the number of spontaneous fluctuations in skin conductance were measured. Compared with placebo, OT reduced the Visual Analogue Mood Scale (VAMS) anxiety index during the pre-test phase only, while increasing sedation at the pre-test, anticipation, and speech phases. OT also lowered the skin conductance level at the pre-test, anticipation, speech, and post-test 2 phases. Other parameters evaluated were not significantly affected by OT. The present results show that OT reduces anticipatory anxiety, but does not affect public speaking fear, suggesting that this hormone has anxiolytic properties.

  17. Radiative transport-based frequency-domain fluorescence tomography

    International Nuclear Information System (INIS)

    Joshi, Amit; Rasmussen, John C; Sevick-Muraca, Eva M; Wareing, Todd A; McGhee, John

    2008-01-01

    We report the development of radiative transport model-based fluorescence optical tomography from frequency-domain boundary measurements. The coupled radiative transport model for describing NIR fluorescence propagation in tissue is solved by a novel software based on the established Attila(TM) particle transport simulation platform. The proposed scheme enables the prediction of fluorescence measurements with non-contact sources and detectors at a minimal computational cost. An adjoint transport solution-based fluorescence tomography algorithm is implemented on dual grids to efficiently assemble the measurement sensitivity Jacobian matrix. Finally, we demonstrate fluorescence tomography on a realistic computational mouse model to locate nM to μM fluorophore concentration distributions in simulated mouse organs

  18. MULTILOOP PI CONTROLLER FOR ACHIEVING SIMULTANEOUS TIME AND FREQUENCY DOMAIN SPECIFICATIONS

    Directory of Open Access Journals (Sweden)

    M. SENTHILKUMAR

    2015-08-01

    Full Text Available Most of the controllers in control system are designed to satisfy either time domain or frequency domain specifications. This work presents the computation of a multiloop PI controller for achieving time and frequency domain specifications simultaneously. The desired time and frequency domain measures are to be specified initially to the design. To obtain the desired value of the performance measures the graphical relationship between the PI controller and the performance criteria is given. Thus by using graphical method a set of PI controller parameters to meet the desired performance measures are obtained in an effective and simpler way. The coupled tank has become a classic design of control engineering for multivariable process. The proposed control strategy has been implemented in the same coupled tank process and validated through simulation studies.

  19. IMS Intra- and Inter Domain End-to-End Resilience Analysis

    DEFF Research Database (Denmark)

    Kamyod, Chayapol; Nielsen, Rasmus Hjorth; Prasad, Neeli R.

    2013-01-01

    This paper evaluated resilience of the reference IMS based network topology in operation through the keys reliability parameters via OPNET. The reliability behaviors of communication within similar and across registered home IMS domains were simulated and compared. Besides, the reliability effects...

  20. Wind Energy System Time-domain (WEST) analyzers using hybrid simulation techniques

    Science.gov (United States)

    Hoffman, J. A.

    1979-01-01

    Two stand-alone analyzers constructed for real time simulation of the complex dynamic characteristics of horizontal-axis wind energy systems are described. Mathematical models for an aeroelastic rotor, including nonlinear aerodynamic and elastic loads, are implemented with high speed digital and analog circuitry. Models for elastic supports, a power train, a control system, and a rotor gimbal system are also included. Limited correlation efforts show good comparisons between results produced by the analyzers and results produced by a large digital simulation. The digital simulation results correlate well with test data.

  1. Public health program capacity for sustainability: a new framework.

    Science.gov (United States)

    Schell, Sarah F; Luke, Douglas A; Schooley, Michael W; Elliott, Michael B; Herbers, Stephanie H; Mueller, Nancy B; Bunger, Alicia C

    2013-02-01

    Public health programs can only deliver benefits if they are able to sustain activities over time. There is a broad literature on program sustainability in public health, but it is fragmented and there is a lack of consensus on core constructs. The purpose of this paper is to present a new conceptual framework for program sustainability in public health. This developmental study uses a comprehensive literature review, input from an expert panel, and the results of concept-mapping to identify the core domains of a conceptual framework for public health program capacity for sustainability. The concept-mapping process included three types of participants (scientists, funders, and practitioners) from several public health areas (e.g., tobacco control, heart disease and stroke, physical activity and nutrition, and injury prevention). The literature review identified 85 relevant studies focusing on program sustainability in public health. Most of the papers described empirical studies of prevention-oriented programs aimed at the community level. The concept-mapping process identified nine core domains that affect a program's capacity for sustainability: Political Support, Funding Stability, Partnerships, Organizational Capacity, Program Evaluation, Program Adaptation, Communications, Public Health Impacts, and Strategic Planning. Concept-mapping participants further identified 93 items across these domains that have strong face validity-89% of the individual items composing the framework had specific support in the sustainability literature. The sustainability framework presented here suggests that a number of selected factors may be related to a program's ability to sustain its activities and benefits over time. These factors have been discussed in the literature, but this framework synthesizes and combines the factors and suggests how they may be interrelated with one another. The framework presents domains for public health decision makers to consider when developing

  2. The domain theory: patterns for knowledge and software reuse

    National Research Council Canada - National Science Library

    Sutcliffe, Alistair

    2002-01-01

    ..., retrieval system, or any other means, without prior written permission of the publisher. Lawrence Erlbaum Associates, Inc., Publishers 10 Industrial Avenue Mahwah, New Jersey 07430 Library of Congress Cataloging-in-Publication Data Sutcliffe, Alistair, 1951- The domain theory : patterns for knowledge and software reuse / Alistair Sutcl...

  3. Monte-Carlo Simulation for PDC-Based Optical CDMA System

    Directory of Open Access Journals (Sweden)

    FAHIM AZIZ UMRANI

    2010-10-01

    Full Text Available This paper presents the Monte-Carlo simulation of Optical CDMA (Code Division Multiple Access systems, and analyse its performance in terms of the BER (Bit Error Rate. The spreading sequence chosen for CDMA is Perfect Difference Codes. Furthermore, this paper derives the expressions of noise variances from first principles to calibrate the noise for both bipolar (electrical domain and unipolar (optical domain signalling required for Monte-Carlo simulation. The simulated results conform to the theory and show that the receiver gain mismatch and splitter loss at the transceiver degrades the system performance.

  4. Imposing resolved turbulence in CFD simulations

    DEFF Research Database (Denmark)

    Gilling, L.; Sørensen, Niels N.

    2011-01-01

    In large‐eddy simulations, the inflow velocity field should contain resolved turbulence. This paper describes and analyzes two methods for imposing resolved turbulence in the interior of the domain in Computational Fluid Dynamics simulations. The intended application of the methods is to impose...

  5. Mechanical design of the third FnIII domain of tenascin-C.

    Science.gov (United States)

    Peng, Qing; Zhuang, Shulin; Wang, Meijia; Cao, Yi; Khor, Yuanai; Li, Hongbin

    2009-03-13

    By combining single-molecule atomic force microscopy (AFM), proline mutagenesis and steered molecular dynamics (SMD) simulations, we investigated the mechanical unfolding dynamics and mechanical design of the third fibronectin type III domain of tenascin-C (TNfn3) in detail. We found that the mechanical stability of TNfn3 is similar to that of other constituting FnIII domains of tenascin-C, and the unfolding process of TNfn3 is an apparent two-state process. By employing proline mutagenesis to block the formation of backbone hydrogen bonds and introduce structural disruption in beta sheet, we revealed that in addition to the important roles played by hydrophobic core packing, backbone hydrogen bonds in beta hairpins are also responsible for the overall mechanical stability of TNfn3. Furthermore, proline mutagenesis revealed that the mechanical design of TNfn3 is robust and the mechanical stability of TNfn3 is very resistant to structural disruptions caused by proline substitutions in beta sheets. Proline mutant F88P is one exception, as the proline mutation at position 88 reduced the mechanical stability of TNfn3 significantly and led to unfolding forces of < 20 pN. This result suggests that Phe88 is a weak point of the mechanical resistance for TNfn3. We used SMD simulations to understand the molecular details underlying the mechanical unfolding of TNfn3. The comparison between the AFM results and SMD simulations revealed similarities and discrepancies between the two. We compared the mechanical unfolding and design of TNfn3 and its structural homologue, the tenth FnIII domain from fibronectin. These results revealed the complexity underlying the mechanical design of FnIII domains and will serve as a starting point for systematically analyzing the mechanical architecture of other FnIII domains in tenascins-C, and will help to gain a better understanding of some of the complex features observed for the stretching of native tenascin-C.

  6. Influence of temperature on current-induced domain wall motion and its Walker breakdown

    International Nuclear Information System (INIS)

    Fan, Lvchao; Hu, Jingguo; Su, Yuanchang; Zhu, Jinrong

    2016-01-01

    The current-driven domain wall propagation along a thin ferromagnetic strip with thermal field is studied by means of micromagnetic simulations. The results show that the velocity of domain wall is almost independent of temperature until Walker breakdown happened. However the thermal field can suppress Walker breakdown and makes domain wall move faster. Further analysis indicates that the thermal field tends to keep the out-of-plane magnetic moment of the domain wall stay in high value, which can promote domain wall motion and suppress the Walker breakdown by breaking the period of domain wall transformation. - Highlights: • Influences of temperature on the displacement and the velocity of DW are shown. • The suppression of Walker breakdown by temperature is given. • The reason for suppressing Walker breakdown is analyzed. • The breaking transformation period of Walker breakdown by temperature is given.

  7. Molecular dynamics simulation reveals insights into the mechanism of unfolding by the A130T/V mutations within the MID1 zinc-binding Bbox1 domain.

    Directory of Open Access Journals (Sweden)

    Yunjie Zhao

    Full Text Available The zinc-binding Bbox1 domain in protein MID1, a member of the TRIM family of proteins, facilitates the ubiquitination of the catalytic subunit of protein phosphatase 2A and alpha4, a protein regulator of PP2A. The natural mutation of residue A130 to a valine or threonine disrupts substrate recognition and catalysis. While NMR data revealed the A130T mutant Bbox1 domain failed to coordinate both structurally essential zinc ions and resulted in an unfolded structure, the unfolding mechanism is unknown. Principle component analysis revealed that residue A130 served as a hinge point between the structured β-strand-turn-β-strand (β-turn-β and the lasso-like loop sub-structures that constitute loop1 of the ββα-RING fold that the Bbox1 domain adopts. Backbone RMSD data indicate significant flexibility and departure from the native structure within the first 5 ns of the molecular dynamics (MD simulation for the A130V mutant (>6 Å and after 30 ns for A130T mutant (>6 Å. Overall RMSF values were higher for the mutant structures and showed increased flexibility around residues 125 and 155, regions with zinc-coordinating residues. Simulated pKa values of the sulfhydryl group of C142 located near A130 suggested an increased in value to ~9.0, paralleling the increase in the apparent dielectric constants for the small cavity near residue A130. Protonation of the sulfhydryl group would disrupt zinc-coordination, directly contributing to unfolding of the Bbox1. Together, the increased motion of residues of loop 1, which contains four of the six zinc-binding cysteine residues, and the increased pKa of C142 could destabilize the structure of the zinc-coordinating residues and contribute to the unfolding.

  8. Resolving the Origins of Crystalline Anharmonicity Using Terahertz Time-Domain Spectroscopy and ab Initio Simulations.

    Science.gov (United States)

    Ruggiero, Michael T; Zeitler, J Axel

    2016-11-17

    Anharmonicity has been shown to be an important piece of the fundamental framework that dictates numerous observable phenomena. In particular, anharmonicity is the driving force of vibrational relaxation processes, mechanisms that are integral to the proper function of numerous chemical processes. However, elucidating its origins has proven difficult due to experimental and theoretical challenges, specifically related to separating the anharmonic contributions from other unrelated effects. While no one technique is particularly suited for providing a complete picture of anharmonicity, by combining multiple complementary methods such a characterization can be made. In this study the role of individual atomic interactions on the anharmonic properties of crystalline purine, the building block of many DNA and RNA nucleobases, is studied by experimental terahertz time-domain spectroscopy and first-principles density functional theory (DFT) and ab initio molecular dynamics simulations (AIMD). In particular, the detailed vibrational information provided by the DFT calculations is used to interpret the atomic origins of anharmonic-related effects as determined by the AIMD calculations, which are in good agreement with the experimental data. The results highlight that anharmonicity is especially pronounced in the intermolecular interactions, particularly along the amine hydrogen bond coordinate, and yields valuable insight into what is similarly observed complex biosystems and crystalline solids.

  9. Agent Based Simulation of Group Emotions Evolution and Strategy Intervention in Extreme Events

    Directory of Open Access Journals (Sweden)

    Bo Li

    2014-01-01

    Full Text Available Agent based simulation method has become a prominent approach in computational modeling and analysis of public emergency management in social science research. The group emotions evolution, information diffusion, and collective behavior selection make extreme incidents studies a complex system problem, which requires new methods for incidents management and strategy evaluation. This paper studies the group emotion evolution and intervention strategy effectiveness using agent based simulation method. By employing a computational experimentation methodology, we construct the group emotion evolution as a complex system and test the effects of three strategies. In addition, the events-chain model is proposed to model the accumulation influence of the temporal successive events. Each strategy is examined through three simulation experiments, including two make-up scenarios and a real case study. We show how various strategies could impact the group emotion evolution in terms of the complex emergence and emotion accumulation influence in extreme events. This paper also provides an effective method of how to use agent-based simulation for the study of complex collective behavior evolution problem in extreme incidents, emergency, and security study domains.

  10. An FFT-accelerated time-domain multiconductor transmission line simulator

    KAUST Repository

    Bagci, Hakan; Yilmaz, Ali E.; Michielssen, Eric

    2010-01-01

    simulator is amenable to hybridization, is fast Fourier transform (FFT)-accelerated, and is highly accurate: 1) It can easily be hybridized with TDIE-based field solvers (in a fully rigorous mathematical framework) for performing electromagnetic interference

  11. AMPLIFICAREA RELAłIEI AUDITULUI PUBLIC INTERN CU AUDITUL PUBLIC EXTERN

    Directory of Open Access Journals (Sweden)

    Ioan Alexandru Szabo

    2011-01-01

    Full Text Available The paper deals with the issue of functional relations between the structure of theinternal audit and external audit in the public domain. The introduction isaddressed to international standards and regulatory framework that stipulates theneed for consolidation of the cooperation relations between the two categories ofprofessionals, namely, internal auditors and external public auditors. The authoremphasizes the importance of developing and of signing the Protocol ofcooperation and collaboration between the two audit authorities that are the Courtof Accounts and The Public Finance that support the professional partnership. Thearticle also presents the terms of the Protocol signed between external audit andinternal audit in the public sector. Finally, it is concluded that the increasing therole of internal audit in the implementation and development of management andinternal control system within public entities, is conditioned by the functionality ofthe collaboration and cooperation relationships between the two audits.

  12. New Flutter Analysis Technique for Time-Domain Computational Aeroelasticity

    Science.gov (United States)

    Pak, Chan-Gi; Lung, Shun-Fat

    2017-01-01

    A new time-domain approach for computing flutter speed is presented. Based on the time-history result of aeroelastic simulation, the unknown unsteady aerodynamics model is estimated using a system identification technique. The full aeroelastic model is generated via coupling the estimated unsteady aerodynamic model with the known linear structure model. The critical dynamic pressure is computed and used in the subsequent simulation until the convergence of the critical dynamic pressure is achieved. The proposed method is applied to a benchmark cantilevered rectangular wing.

  13. Fully nonlinear time-domain simulation of a backward bent duct buoy floating wave energy converter using an acceleration potential method

    Directory of Open Access Journals (Sweden)

    Kyoung-Rok Lee

    2013-12-01

    Full Text Available A floating Oscillating Water Column (OWC wave energy converter, a Backward Bent Duct Buoy (BBDB, was simulated using a state-of-the-art, two-dimensional, fully-nonlinear Numerical Wave Tank (NWT technique. The hydrodynamic performance of the floating OWC device was evaluated in the time domain. The acceleration potential method, with a full-updated kernel matrix calculation associated with a mode decomposition scheme, was implemented to obtain accurate estimates of the hydrodynamic force and displacement of a freely floating BBDB. The developed NWT was based on the potential theory and the boundary element method with constant panels on the boundaries. The mixed Eulerian-Lagrangian (MEL approach was employed to capture the nonlinear free surfaces inside the chamber that interacted with a pneumatic pressure, induced by the time-varying airflow velocity at the air duct. A special viscous damping was applied to the chamber free surface to represent the viscous energy loss due to the BBDB's shape and motions. The viscous damping coefficient was properly selected using a comparison of the experimental data. The calculated surface elevation, inside and outside the chamber, with a tuned viscous damping correlated reasonably well with the experimental data for various incident wave conditions. The conservation of the total wave energy in the computational domain was confirmed over the entire range of wave frequencies.

  14. Exposure to simultaneous sedentary behavior domains and sociodemographic factors associated in public servants

    Directory of Open Access Journals (Sweden)

    Fernanda Cerveira Fronza

    2017-11-01

    Full Text Available DOI: http://dx.doi.org/10.5007/1980-0037.2017v19n4p469   Exposure to sedentary behavior may contribute to health problems. This study aimed to estimate the prevalence of exposure to simultaneous sedentary behavior domains and verify associated sociodemographic characteristics among technical and administrative servers of a Brazilian university. This is a cross-sectional epidemiological study carried out with 623 technical and administrative servers. Sedentary behavior was identified through a questionnaire in the following domains: commuting (active / passive, sitting time at work, daily time spent watching television and computer use (≥3 hours / day. Sociodemographic variables were age, sex and educational level. The prevalence of servers that had one, two, three and four simultaneous sedentary behavior was 28.4%, 43.2%, 22.5% and 4.3%, respectively. Women were more likely to have three sedentary behavior simultaneously (OR = 1.61, CI 95% = 1.02, 2.56. Servers with 9-11 years of schooling were less exposed to two (OR = 0.27, CI 95% = 0.17, 0.44, three (OR = 0.39, CI 95% = 0.23, 0.66 and four (OR = 0.22, CI 95% = 0.07; 0.69 sedentary behavior simultaneously and those over 12 years of schooling were less likely of having two (OR = 0.22, CI 95% = 0.10; 0.49 and three (OR = 0.15, CI 95% = 0.05, 0.46 sedentary behavior simultaneously. More than half of servers have two sedentary behavior during the week. Having sedentary behavior in more than one domain simultaneously was associated with sex and educational level.

  15. An operational modal analysis method in frequency and spatial domain

    Science.gov (United States)

    Wang, Tong; Zhang, Lingmi; Tamura, Yukio

    2005-12-01

    A frequency and spatial domain decomposition method (FSDD) for operational modal analysis (OMA) is presented in this paper, which is an extension of the complex mode indicator function (CMIF) method for experimental modal analysis (EMA). The theoretical background of the FSDD method is clarified. Singular value decomposition is adopted to separate the signal space from the noise space. Finally, an enhanced power spectrum density (PSD) is proposed to obtain more accurate modal parameters by curve fitting in the frequency domain. Moreover, a simulation case and an application case are used to validate this method.

  16. Coarse-grained molecular simulations of allosteric cooperativity

    Energy Technology Data Exchange (ETDEWEB)

    Nandigrami, Prithviraj; Portman, John J. [Department of Physics, Kent State University, Kent, Ohio 44242 (United States)

    2016-03-14

    Interactions between a protein and a ligand are often accompanied by a redistribution of the population of thermally accessible conformations. This dynamic response of the protein’s functional energy landscape enables a protein to modulate binding affinities and control binding sensitivity to ligand concentration. In this paper, we investigate the structural origins of binding affinity and allosteric cooperativity of binding two Ca{sup 2+} ions to each domain of Calmodulin (CaM) through simulations of a simple coarse-grained model. In this model, the protein’s conformational transitions between open and closed conformational ensembles are simulated explicitly and ligand binding and unbinding are treated implicitly within the grand canonical ensemble. Ligand binding is cooperative because the binding sites are coupled through a shift in the dominant conformational ensemble upon binding. The classic Monod-Wyman-Changeux model of allostery with appropriate binding free energies to the open and closed ensembles accurately describes the simulated binding thermodynamics. The simulations predict that the two domains of CaM have distinct binding affinity and cooperativity. In particular, the C-terminal domain binds Ca{sup 2+} with higher affinity and greater cooperativity than the N-terminal domain. From a structural point of view, the affinity of an individual binding loop depends sensitively on the loop’s structural compatibility with the ligand in the bound ensemble, as well as the conformational flexibility of the binding site in the unbound ensemble.

  17. Constricted nanowire with stabilized magnetic domain wall

    International Nuclear Information System (INIS)

    Sbiaa, R.; Al Bahri, M.

    2016-01-01

    Domain wall (DW)-based magnetic memory offers the possibility for increasing the storage capacity. However, stability of DW remains the major drawback of this scheme. In this letter, we propose a stepped nanowire for pinning DW in a desirable position. From micromagnetic simulation, the proposed design applied to in-plane magnetic anisotropy materials shows that by adjusting the nanowire step size and its width it is possible to stabilize DW for a desirable current density range. In contrast, only a movement of DW could be seen for conventional nanowire. An extension to a multi-stepped nanowire could be used for multi-bit per cell magnetic memory. - Highlights: • A stepped nanowire is proposed to pin domain wall in desired position. • The new structure can be made by a simple off set of two single nanowires. • The critical current for moving domain wall from one state to the other could be tuned by adjusting the geometry of the device. • The device could be used for multi-bit per cell memory by extending the steps in the device.

  18. Acoustic simulations of Mudejar-Gothic churches.

    Science.gov (United States)

    Galindo, Miguel; Zamarreño, Teófilo; Girón, Sara

    2009-09-01

    In this paper, an iterative process is used in order to estimate the values of absorption coefficients of those materials of which little is known in the literature, so that an acoustic simulation can be carried out in Mudejar-Gothic churches. The estimation of the scattering coefficients, which is even less developed, is based on the size of the irregularities. This methodology implemented is applied to six Mudejar-Gothic churches of Seville (southern Spain). The simulated monophonic acoustic parameters, both in the frequency domain and as a function of source-receiver distance (spatial distribution), are analyzed and compared with the in situ measures. Good agreement has been found between these sets of values, whereby each parameter is discussed in terms of the just noticeable difference. This procedure for existing buildings, especially for those which are rich in heritage, enables a reliable evaluation of the effect on the maintenance, restoration, and conditioning for new uses, as well as the recreation of the acoustic environment of ancient times. Along these lines, the acoustic influence of the timber roof and the presence of the public in these churches have also been studied.

  19. Two Simulation Cases to Prepare for a Public Festival: Pediatric Methylenedioxymethamphetamine (MDMA) Ingestion and Alcohol Toxicity

    Science.gov (United States)

    Mangold, Karen; Cochran, Christina

    2018-01-01

    Introduction Emergency departments (EDs) see a surge of intoxicated patients during large public summer events. These patients can be distracting and complicated for ED staff to care for. Methods We developed two cases to prepare emergency department staff for an anticipated surge of patients related to a large music festival that occurs proximal to our pediatric hospital. We developed and performed cases of simulated patients with alcohol intoxication and methylenedioxymethamphetamine (MDMA) ingestion to review medical management of these patients, as well as to review many of the social aspects of the cases. We surveyed simulation (sim) session participants to assess the degree to which the sessions were helpful and to glean ideas on how to improve sessions for future use. Results Over the course of two years, we have hosted eight simulations, for a total of 57 participants comprising various healthcare roles. We achieved an 85% response rate in the post-simulation surveys. The sessions were overall well-received and left participants feeling better prepared to care for intoxicated patients. Discussion Despite having a large number of staff from many disciplines working varied schedules, we were able to provide simulation training to many of them in preparation for an expected surge of intoxicated patients. Participants appreciated the training and gave feedback to improve sessions in the future. PMID:29686959

  20. Control algorithm for multiscale flow simulations of water

    DEFF Research Database (Denmark)

    Kotsalis, E. M.; Walther, Jens Honore; Kaxiras, E.

    2009-01-01

    We present a multiscale algorithm to couple atomistic water models with continuum incompressible flow simulations via a Schwarz domain decomposition approach. The coupling introduces an inhomogeneity in the description of the atomistic domain and prevents the use of periodic boundary conditions...

  1. Chiral symmetry breaking for domain wall fermions in quenched lattice QCD

    International Nuclear Information System (INIS)

    Wu Lingling

    2001-01-01

    The domain wall fermion formulation exhibits full chiral symmetry for finite lattice spacing except for the effects of mixing between the domain walls. Close to the continuum limit these symmetry breaking effects should be described by a single residual mass. We determine this mass from the conservation law obeyed by the conserved axial current in quenched simulations with β = 5.7 and 6.0 and domain wall separations varying between 12 and 48 on 8 3 x 32 and 16 3 x 32 lattices. Using the resulting values for the residual mass we perform two complete and independent calculations of the pion decay constant. Good agreement is found between these two methods and with experiment

  2. Frequency-Domain Adaptive Algorithm for Network Echo Cancellation in VoIP

    Directory of Open Access Journals (Sweden)

    Patrick A. Naylor

    2008-05-01

    Full Text Available We propose a new low complexity, low delay, and fast converging frequency-domain adaptive algorithm for network echo cancellation in VoIP exploiting MMax and sparse partial (SP tap-selection criteria in the frequency domain. We incorporate these tap-selection techniques into the multidelay filtering (MDF algorithm in order to mitigate the delay inherent in frequency-domain algorithms. We illustrate two such approaches and discuss their tradeoff between convergence performance and computational complexity. Simulation results show an improvement in convergence rate for the proposed algorithm over MDF and significantly reduced complexity. The proposed algorithm achieves a convergence performance close to that of the recently proposed, but substantially more complex improved proportionate MDF (IPMDF algorithm.

  3. Smart systems integration and simulation

    CERN Document Server

    Poncino, Massimo; Pravadelli, Graziano

    2016-01-01

    This book-presents new methods and tools for the integration and simulation of smart devices. The design approach described in this book explicitly accounts for integration of Smart Systems components and subsystems as a specific constraint. It includes methodologies and EDA tools to enable multi-disciplinary and multi-scale modeling and design, simulation of multi-domain systems, subsystems and components at all levels of abstraction, system integration and exploration for optimization of functional and non-functional metrics. By covering theoretical and practical aspects of smart device design, this book targets people who are working and studying on hardware/software modelling, component integration and simulation under different positions (system integrators, designers, developers, researchers, teachers, students etc.). In particular, it is a good introduction to people who have interest in managing heterogeneous components in an efficient and effective way on different domains and different abstraction l...

  4. A multi-domain trust management model for supporting RFID applications of IoT.

    Directory of Open Access Journals (Sweden)

    Xu Wu

    Full Text Available The use of RFID technology in complex and distributed environments often leads to a multi-domain RFID system, in which trust establishment among entities from heterogeneous domains without past interaction or prior agreed policy, is a challenge. The current trust management mechanisms in the literature do not meet the specific requirements in multi-domain RFID systems. Therefore, this paper analyzes the special challenges on trust management in multi-domain RFID systems, and identifies the implications and the requirements of the challenges on the solutions to the trust management of multi-domain RFID systems. A multi-domain trust management model is proposed, which provides a hierarchical trust management framework include a diversity of trust evaluation and establishment approaches. The simulation results and analysis show that the proposed method has excellent ability to deal with the trust relationships, better security, and higher accuracy rate.

  5. Simulation of the large-scale offshore-wind farms including HVDC-grid connections using the simulation tool VIAvento

    Energy Technology Data Exchange (ETDEWEB)

    Bartelt, R.; Heising, C.; Ni, B. [Avasition GmbH, Dortmund (Germany); Zadeh, M. Koochack; Lebioda, T.J.; Jung, J. [TenneT Offshore GmbH, Bayreuth (Germany)

    2012-07-01

    Within the framework of a research project the stability of the offshore grid especially in terms of sub-harmonic stability for the likely future extension stage of the offshore grids i.e. having parallel connection of two or more HVDC links and for certain operating scenarios e.g. overload scenario will be investigated. For this purpose, a comprehensive scenario-based assessment in time domain is unavoidable. Within this paper, the simulation tool VIAvento is briefly presented which allows for these comprehensive time-domain simulations taking the special characteristics of power-electronic assets into account. The core maxims of VIAvento are presented. Afterwards, the capability of VIAvento is demonstrated with simulation results of two wind farms linked via a HVDC grid connection system (160 converters and two HVDC stations in modular multilevel converter topology). (orig.)

  6. Effects of biases in domain wall network evolution. II. Quantitative analysis

    Science.gov (United States)

    Correia, J. R. C. C. C.; Leite, I. S. C. R.; Martins, C. J. A. P.

    2018-04-01

    Domain walls form at phase transitions which break discrete symmetries. In a cosmological context, they often overclose the Universe (contrary to observational evidence), although one may prevent this by introducing biases or forcing anisotropic evolution of the walls. In a previous work [Correia et al., Phys. Rev. D 90, 023521 (2014), 10.1103/PhysRevD.90.023521], we numerically studied the evolution of various types of biased domain wall networks in the early Universe, confirming that anisotropic networks ultimately reach scaling while those with a biased potential or biased initial conditions decay. We also found that the analytic decay law obtained by Hindmarsh was in good agreement with simulations of biased potentials, but not of biased initial conditions, and suggested that the difference was related to the Gaussian approximation underlying the analytic law. Here, we extend our previous work in several ways. For the cases of biased potential and biased initial conditions, we study in detail the field distributions in the simulations, confirming that the validity (or not) of the Gaussian approximation is the key difference between the two cases. For anisotropic walls, we carry out a more extensive set of numerical simulations and compare them to the canonical velocity-dependent one-scale model for domain walls, finding that the model accurately predicts the linear scaling regime after isotropization. Overall, our analysis provides a quantitative description of the cosmological evolution of these networks.

  7. Public scientific communication: reflections on the public and its participation forms

    Directory of Open Access Journals (Sweden)

    Peter Sekloča

    2009-09-01

    Full Text Available Scientific communication also pertains to the domain of society, where the formation of public opinion about science and technology is taking place. Concerning this process, two main points are exposed in the commentary. The first is a proposition on how the public as a social category may be conceptualized, and the second is the extent of the participation of members of the public in strengthening socialization and democratization practices in new, highly complex, contexts of scientific research. The public is conceptualized to include all citizens no matter their professional origin, including scientists, which promotes the idea of openness and equality of the public sphere where scientific issues are discussed. To be democratic in its practical-political setting, such a conception needs to deal with the problems of participation in a highly mediatized world, where not every member of the public could be included into scientific research. The author thus reflects on the mechanisms which would enable the formation of public forums where the trust of influential public actors as stakeholders of research can be tested.

  8. Seeking new mutation clues from Bacillus licheniformis amylase by molecular dynamics simulations

    Science.gov (United States)

    Lu, Tao

    2009-07-01

    Amylase is one of the most important industrial enzymes in the world. Researchers have been searching for a highly thermal stable mutant for many years, but most focus on point mutations of one or few nitrogenous bases. According to this molecular dynamic simulation of amylase from Bacillus licheniformis (BLA), the deletion of some nitrogenous bases would be more efficacious than point mutations. The simulation reveals strong fluctuation of the BLA structure at optimum temperature. The fluctuation of the outer domains of BLA is stronger than that of the core domain. Molecular simulation provides a clue to design thermal stable amylases through deletion mutations in the outer domain.

  9. Simulations of groundwater flow, transport, and age in Albuquerque, New Mexico, for a study of transport of anthropogenic and natural contaminants (TANC) to public-supply wells

    Science.gov (United States)

    Heywood, Charles E.

    2013-01-01

    Vulnerability to contamination from manmade and natural sources can be characterized by the groundwater-age distribution measured in a supply well and the associated implications for the source depths of the withdrawn water. Coupled groundwater flow and transport models were developed to simulate the transport of the geochemical age-tracers carbon-14, tritium, and three chlorofluorocarbon species to public-supply wells in Albuquerque, New Mexico. A separate, regional-scale simulation of transport of carbon-14 that used the flow-field computed by a previously documented regional groundwater flow model was calibrated and used to specify the initial concentrations of carbon-14 in the local-scale transport model. Observations of the concentrations of each of the five chemical species, in addition to water-level observations and measurements of intra-borehole flow within a public-supply well, were used to calibrate parameters of the local-scale groundwater flow and transport models. The calibrated groundwater flow model simulates the mixing of “young” groundwater, which entered the groundwater flow system after 1950 as recharge at the water table, with older resident groundwater that is more likely associated with natural contaminants. Complexity of the aquifer system in the zone of transport between the water table and public-supply well screens was simulated with a geostatistically generated stratigraphic realization based upon observed lithologic transitions at borehole control locations. Because effective porosity was simulated as spatially uniform, the simulated age tracers are more efficiently transported through the portions of the simulated aquifer with relatively higher simulated hydraulic conductivity. Non-pumping groundwater wells with long screens that connect aquifer intervals having different hydraulic heads can provide alternate pathways for contaminant transport that are faster than the advective transport through the aquifer material. Simulation of

  10. Domain decomposition with local refinement for flow simulation around a nuclear waste disposal site: direct computation versus simulation using code coupling with OCamlP3L

    Energy Technology Data Exchange (ETDEWEB)

    Clement, F.; Vodicka, A.; Weis, P. [Institut National de Recherches Agronomiques (INRA), 78 - Le Chesnay (France); Martin, V. [Institut National de Recherches Agronomiques (INRA), 92 - Chetenay Malabry (France); Di Cosmo, R. [Institut National de Recherches Agronomiques (INRA), 78 - Le Chesnay (France); Paris-7 Univ., 75 (France)

    2003-07-01

    We consider the application of a non-overlapping domain decomposition method with non-matching grids based on Robin interface conditions to the problem of flow surrounding an underground nuclear waste disposal. We show with a simple example how one can refine the mesh locally around the storage with this technique. A second aspect is studied in this paper. The coupling between the sub-domains can be achieved by computing in two ways: either directly (i.e. the domain decomposition algorithm is included in the code that solves the problems on the sub-domains) or using code coupling. In the latter case, each sub-domain problem is solved separately and the coupling is performed by another program. We wrote a coupling program in the functional language Ocaml, using the OcamIP31 environment devoted to ease the parallelism. This at the same time we test the code coupling and we use the natural parallel property of domain decomposition methods. Some simple 2D numerical tests show promising results, and further studies are under way. (authors)

  11. Domain decomposition with local refinement for flow simulation around a nuclear waste disposal site: direct computation versus simulation using code coupling with OCamlP3L

    International Nuclear Information System (INIS)

    Clement, F.; Vodicka, A.; Weis, P.; Martin, V.; Di Cosmo, R.

    2003-01-01

    We consider the application of a non-overlapping domain decomposition method with non-matching grids based on Robin interface conditions to the problem of flow surrounding an underground nuclear waste disposal. We show with a simple example how one can refine the mesh locally around the storage with this technique. A second aspect is studied in this paper. The coupling between the sub-domains can be achieved by computing in two ways: either directly (i.e. the domain decomposition algorithm is included in the code that solves the problems on the sub-domains) or using code coupling. In the latter case, each sub-domain problem is solved separately and the coupling is performed by another program. We wrote a coupling program in the functional language Ocaml, using the OcamIP31 environment devoted to ease the parallelism. This at the same time we test the code coupling and we use the natural parallel property of domain decomposition methods. Some simple 2D numerical tests show promising results, and further studies are under way. (authors)

  12. The BRCT domain is a phospho-protein binding domain.

    Science.gov (United States)

    Yu, Xiaochun; Chini, Claudia Christiano Silva; He, Miao; Mer, Georges; Chen, Junjie

    2003-10-24

    The carboxyl-terminal domain (BRCT) of the Breast Cancer Gene 1 (BRCA1) protein is an evolutionarily conserved module that exists in a large number of proteins from prokaryotes to eukaryotes. Although most BRCT domain-containing proteins participate in DNA-damage checkpoint or DNA-repair pathways, or both, the function of the BRCT domain is not fully understood. We show that the BRCA1 BRCT domain directly interacts with phosphorylated BRCA1-Associated Carboxyl-terminal Helicase (BACH1). This specific interaction between BRCA1 and phosphorylated BACH1 is cell cycle regulated and is required for DNA damage-induced checkpoint control during the transition from G2 to M phase of the cell cycle. Further, we show that two other BRCT domains interact with their respective physiological partners in a phosphorylation-dependent manner. Thirteen additional BRCT domains also preferentially bind phospho-peptides rather than nonphosphorylated control peptides. These data imply that the BRCT domain is a phospho-protein binding domain involved in cell cycle control.

  13. Structured Literature Review of disruptive innovation theory within the digital domain

    DEFF Research Database (Denmark)

    Vesti, Helle; Nielsen, Christian; Rosenstand, Claus Andreas Foss

    2017-01-01

    The area of interest is disruption is the digital domain. The research questions are: How has the disruption and digital disruption literature developed over time? What is the research focus into disruption regarding the digital domain and how has this changed over time? Which methods are being...... utilized in research regarding disruption and digital disruption? Where are the key contributors to disruption in general and in digital disruption? Is there a future for digital disruption research? The method is a Structured Literature Review (SLR). The contribution is the results of an analysis of 95...... publications within the field of disruption in the digital domain and disruptive innovation theory in general. Works of twelve practitioners and 83 academics are investigated....

  14. Virtual reality simulations as a new tool for practicing presentations and refining public-speaking skills

    DEFF Research Database (Denmark)

    Niebuhr, Oliver; Michalsky, Jan

    2018-01-01

    Presentations are typically practiced alone while talking to oneself in a silent room. It is not only questionable whether such a rehearsal setting is a proper preparation for a real public-speaking situation. Giving the same talk repeatedly to oneself also bears the risk that speaking "erodes......" from the communicative act of conveying a message into a mere mechanical exercise that is neither content- nor audience-oriented. Against this background, it is tested from a digital-humanities perspective whether a VR public-speaking simulation, in which a speaker can rehearse his/her talk...... in a virtual conference room and in front of a virtual audience, is a suitable and preferable alternative to practicing a presentation on one's own. Prosodic measures of speaking style are analyzed and compared between two groups of 12 speakers, a control group and a VR test group, each of which performed...

  15. Stanford Workshop on Surgical Simulation

    National Research Council Canada - National Science Library

    Salisbury, Kenneth

    2001-01-01

    .... We were particularly interested in medical applications including simulation-based training, skills assessment and planning, as well as other non-medical domains where real-time interactivity is needed...

  16. Magnetoresistance of microstructured permalloy ellipses having multi-domain configurations

    International Nuclear Information System (INIS)

    Kuo, C.Y.; Chung, W.S.; Wu, J.C.; Horng, Lance; Wei, Z.-H.; Lai, M.-F.; Chang, C.-R.

    2007-01-01

    Mirostructured permalloy ellipses having purposely designed multi-domain configurations were investigated. The samples were fabricated using e-beam lithography through a lift-off process. The magnetoresistance measurements were carried out with a constant dc sensing current under the external magnetic field applied along the short axis. The magnetoresistance curves manifest characteristic features in accordance with the specific domain configurations. Step-like/kink features were observed on the ellipses with cross-tie wall/two-vortex configuration and step-like plus kink magnetorsistance curve was found on the ellipse with cross-tie wall combining with two-vortex structure. A magnetic force microscopy and a micromagnetic simulation were employed to support these results

  17. Simulation of ultrasonic and EMAT arrays using FEM and FDTD.

    Science.gov (United States)

    Xie, Yuedong; Yin, Wuliang; Liu, Zenghua; Peyton, Anthony

    2016-03-01

    This paper presents a method which combines electromagnetic simulation and ultrasonic simulation to build EMAT array models. For a specific sensor configuration, Lorentz forces are calculated using the finite element method (FEM), which then can feed through to ultrasonic simulations. The propagation of ultrasound waves is numerically simulated using finite-difference time-domain (FDTD) method to describe their propagation within homogenous medium and their scattering phenomenon by cracks. Radiation pattern obtained with Hilbert transform on time domain waveforms is proposed to characterise the sensor in terms of its beam directivity and field distribution along the steering angle. Copyright © 2015 Elsevier B.V. All rights reserved.

  18. Mechanistic Oral Absorption Modeling and Simulation for Formulation Development and Bioequivalence Evaluation: Report of an FDA Public Workshop.

    Science.gov (United States)

    Zhang, X; Duan, J; Kesisoglou, F; Novakovic, J; Amidon, G L; Jamei, M; Lukacova, V; Eissing, T; Tsakalozou, E; Zhao, L; Lionberger, R

    2017-08-01

    On May 19, 2016, the US Food and Drug Administration (FDA) hosted a public workshop, entitled "Mechanistic Oral Absorption Modeling and Simulation for Formulation Development and Bioequivalence Evaluation." The topic of mechanistic oral absorption modeling, which is one of the major applications of physiologically based pharmacokinetic (PBPK) modeling and simulation, focuses on predicting oral absorption by mechanistically integrating gastrointestinal transit, dissolution, and permeation processes, incorporating systems, active pharmaceutical ingredient (API), and the drug product information, into a systemic mathematical whole-body framework. © 2017 The Authors CPT: Pharmacometrics & Systems Pharmacology published by Wiley Periodicals, Inc. on behalf of American Society for Clinical Pharmacology and Therapeutics.

  19. Domain analysis

    DEFF Research Database (Denmark)

    Hjørland, Birger

    2017-01-01

    The domain-analytic approach to knowledge organization (KO) (and to the broader field of library and information science, LIS) is outlined. The article reviews the discussions and proposals on the definition of domains, and provides an example of a domain-analytic study in the field of art studies....... Varieties of domain analysis as well as criticism and controversies are presented and discussed....

  20. Parallel and vector implementation of APROS simulator code

    International Nuclear Information System (INIS)

    Niemi, J.; Tommiska, J.

    1990-01-01

    In this paper the vector and parallel processing implementation of a general purpose simulator code is discussed. In this code the utilization of vector processing is straightforward. In addition to the loop level parallel processing, the functional decomposition and the domain decomposition have been considered. Results represented for a PWR-plant simulation illustrate the potential speed-up factors of the alternatives. It turns out that the loop level parallelism and the domain decomposition are the most promising alternative to employ the parallel processing. (author)

  1. Conformational control of the binding of the transactivation domain of the MLL protein and c-Myb to the KIX domain of CREB.

    Directory of Open Access Journals (Sweden)

    Elif Nihal Korkmaz

    Full Text Available The KIX domain of CBP is a transcriptional coactivator. Concomitant binding to the activation domain of proto-oncogene protein c-Myb and the transactivation domain of the trithorax group protein mixed lineage leukemia (MLL transcription factor lead to the biologically active ternary MLL∶KIX∶c-Myb complex which plays a role in Pol II-mediated transcription. The binding of the activation domain of MLL to KIX enhances c-Myb binding. Here we carried out molecular dynamics (MD simulations for the MLL∶KIX∶c-Myb ternary complex, its binary components and KIX with the goal of providing a mechanistic explanation for the experimental observations. The dynamic behavior revealed that the MLL binding site is allosterically coupled to the c-Myb binding site. MLL binding redistributes the conformational ensemble of KIX, leading to higher populations of states which favor c-Myb binding. The key element in the allosteric communication pathways is the KIX loop, which acts as a control mechanism to enhance subsequent binding events. We tested this conclusion by in silico mutations of loop residues in the KIX∶MLL complex and by comparing wild type and mutant dynamics through MD simulations. The loop assumed MLL binding conformation similar to that observed in the KIX∶c-Myb state which disfavors the allosteric network. The coupling with c-Myb binding site faded, abolishing the positive cooperativity observed in the presence of MLL. Our major conclusion is that by eliciting a loop-mediated allosteric switch between the different states following the binding events, transcriptional activation can be regulated. The KIX system presents an example how nature makes use of conformational control in higher level regulation of transcriptional activity and thus cellular events.

  2. Time-Domain Finite Elements for Virtual Testing of Electromagnetic Compatibility

    Directory of Open Access Journals (Sweden)

    V. Sedenka

    2013-04-01

    Full Text Available The paper presents a time-domain finite-element solver developed for simulations related to solving electromagnetic compatibility issues. The software is applied as a module integrated into a computational framework developed within a FP7 European project High Intensity Radiated Field – Synthetic Environment (HIRF SE able to simulate a large class of problems. In the paper, the mathematical formulation is briefly presented, and special emphasis is put on the user point of view on the simulation tool-chain. The functionality is demonstrated on the computation of shielding effectiveness of two composite materials. Results are validated through experimental measurements and agreement is confirmed by automatic feature selective algorithms.

  3. Inferring domain-domain interactions from protein-protein interactions with formal concept analysis.

    Directory of Open Access Journals (Sweden)

    Susan Khor

    Full Text Available Identifying reliable domain-domain interactions will increase our ability to predict novel protein-protein interactions, to unravel interactions in protein complexes, and thus gain more information about the function and behavior of genes. One of the challenges of identifying reliable domain-domain interactions is domain promiscuity. Promiscuous domains are domains that can occur in many domain architectures and are therefore found in many proteins. This becomes a problem for a method where the score of a domain-pair is the ratio between observed and expected frequencies because the protein-protein interaction network is sparse. As such, many protein-pairs will be non-interacting and domain-pairs with promiscuous domains will be penalized. This domain promiscuity challenge to the problem of inferring reliable domain-domain interactions from protein-protein interactions has been recognized, and a number of work-arounds have been proposed. This paper reports on an application of Formal Concept Analysis to this problem. It is found that the relationship between formal concepts provides a natural way for rare domains to elevate the rank of promiscuous domain-pairs and enrich highly ranked domain-pairs with reliable domain-domain interactions. This piggybacking of promiscuous domain-pairs onto less promiscuous domain-pairs is possible only with concept lattices whose attribute-labels are not reduced and is enhanced by the presence of proteins that comprise both promiscuous and rare domains.

  4. Inferring Domain-Domain Interactions from Protein-Protein Interactions with Formal Concept Analysis

    Science.gov (United States)

    Khor, Susan

    2014-01-01

    Identifying reliable domain-domain interactions will increase our ability to predict novel protein-protein interactions, to unravel interactions in protein complexes, and thus gain more information about the function and behavior of genes. One of the challenges of identifying reliable domain-domain interactions is domain promiscuity. Promiscuous domains are domains that can occur in many domain architectures and are therefore found in many proteins. This becomes a problem for a method where the score of a domain-pair is the ratio between observed and expected frequencies because the protein-protein interaction network is sparse. As such, many protein-pairs will be non-interacting and domain-pairs with promiscuous domains will be penalized. This domain promiscuity challenge to the problem of inferring reliable domain-domain interactions from protein-protein interactions has been recognized, and a number of work-arounds have been proposed. This paper reports on an application of Formal Concept Analysis to this problem. It is found that the relationship between formal concepts provides a natural way for rare domains to elevate the rank of promiscuous domain-pairs and enrich highly ranked domain-pairs with reliable domain-domain interactions. This piggybacking of promiscuous domain-pairs onto less promiscuous domain-pairs is possible only with concept lattices whose attribute-labels are not reduced and is enhanced by the presence of proteins that comprise both promiscuous and rare domains. PMID:24586450

  5. A residue-specific shift in stability and amyloidogenicity of antibody variable domains.

    Science.gov (United States)

    Nokwe, Cardine N; Zacharias, Martin; Yagi, Hisashi; Hora, Manuel; Reif, Bernd; Goto, Yuji; Buchner, Johannes

    2014-09-26

    Variable (V) domains of antibodies are essential for antigen recognition by our adaptive immune system. However, some variants of the light chain V domains (VL) form pathogenic amyloid fibrils in patients. It is so far unclear which residues play a key role in governing these processes. Here, we show that the conserved residue 2 of VL domains is crucial for controlling its thermodynamic stability and fibril formation. Hydrophobic side chains at position 2 stabilize the domain, whereas charged residues destabilize and lead to amyloid fibril formation. NMR experiments identified several segments within the core of the VL domain to be affected by changes in residue 2. Furthermore, molecular dynamic simulations showed that hydrophobic side chains at position 2 remain buried in a hydrophobic pocket, and charged side chains show a high flexibility. This results in a predicted difference in the dissociation free energy of ∼10 kJ mol(-1), which is in excellent agreement with our experimental values. Interestingly, this switch point is found only in VL domains of the κ family and not in VLλ or in VH domains, despite a highly similar domain architecture. Our results reveal novel insight into the architecture of variable domains and the prerequisites for formation of amyloid fibrils. This might also contribute to the rational design of stable variable antibody domains. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  6. Coarse-grained molecular dynamics simulations of polymerization with forward and backward reactions.

    Science.gov (United States)

    Krajniak, Jakub; Zhang, Zidan; Pandiyan, Sudharsan; Nies, Eric; Samaey, Giovanni

    2018-06-11

    We develop novel parallel algorithms that allow molecular dynamics simulations in which byproduct molecules are created and removed because of the chemical reactions during the molecular dynamics simulation. To prevent large increases in the potential energy, we introduce the byproduct molecules smoothly by changing the non-bonded interactions gradually. To simulate complete equilibrium reactions, we allow the byproduct molecules attack and destroy created bonds. Modeling of such reactions are, for instance, important to study the pore formation due to the presence of e.g. water molecules or development of polymer morphology during the process of splitting off byproduct molecules. Another concept that could be studied is the degradation of polymeric materials, a very important topic in a recycling of polymer waste. We illustrate the method by simulating the polymerization of polyethylene terephthalate (PET) at the coarse-grained level as an example of a polycondensation reaction with water as a byproduct. The algorithms are implemented in a publicly available software package and are easily accessible using a domain-specific language that describes chemical reactions in an input configuration file. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  7. The Public Use Limitation in Eminent Domain: "Handley v. Cook."

    Science.gov (United States)

    Grill, Donna P.

    1979-01-01

    It is time for the courts to rigorously scrutinize allegations of public use in order to protect the property rights of private individuals. Available from West Virginia Law Review, W.V.U. Law Center, Morgantown, WV 26506. (Author)

  8. A semantic-based method for extracting concept definitions from scientific publications: evaluation in the autism phenotype domain.

    Science.gov (United States)

    Hassanpour, Saeed; O'Connor, Martin J; Das, Amar K

    2013-08-12

    A variety of informatics approaches have been developed that use information retrieval, NLP and text-mining techniques to identify biomedical concepts and relations within scientific publications or their sentences. These approaches have not typically addressed the challenge of extracting more complex knowledge such as biomedical definitions. In our efforts to facilitate knowledge acquisition of rule-based definitions of autism phenotypes, we have developed a novel semantic-based text-mining approach that can automatically identify such definitions within text. Using an existing knowledge base of 156 autism phenotype definitions and an annotated corpus of 26 source articles containing such definitions, we evaluated and compared the average rank of correctly identified rule definition or corresponding rule template using both our semantic-based approach and a standard term-based approach. We examined three separate scenarios: (1) the snippet of text contained a definition already in the knowledge base; (2) the snippet contained an alternative definition for a concept in the knowledge base; and (3) the snippet contained a definition not in the knowledge base. Our semantic-based approach had a higher average rank than the term-based approach for each of the three scenarios (scenario 1: 3.8 vs. 5.0; scenario 2: 2.8 vs. 4.9; and scenario 3: 4.5 vs. 6.2), with each comparison significant at the p-value of 0.05 using the Wilcoxon signed-rank test. Our work shows that leveraging existing domain knowledge in the information extraction of biomedical definitions significantly improves the correct identification of such knowledge within sentences. Our method can thus help researchers rapidly acquire knowledge about biomedical definitions that are specified and evolving within an ever-growing corpus of scientific publications.

  9. Convergence of Corporate and Public Governance

    OpenAIRE

    Gérard Hirigoyen; Radhoine Laouer

    2013-01-01

    By analyzing the differences between the corporate and public governance, theoretical and empirical research seems to indicate that the two domains of governance are far too different to share any common aspect. However, in this particular research, it has been argued that public governance is an application of corporate governance. Thus, the research question entails the description and analysis of this possible conve...

  10. Effect of the SH3-SH2 domain linker sequence on the structure of Hck kinase.

    Science.gov (United States)

    Meiselbach, Heike; Sticht, Heinrich

    2011-08-01

    The coordination of activity in biological systems requires the existence of different signal transduction pathways that interact with one another and must be precisely regulated. The Src-family tyrosine kinases, which are found in many signaling pathways, differ in their physiological function despite their high overall structural similarity. In this context, the differences in the SH3-SH2 domain linkers might play a role for differential regulation, but the structural consequences of linker sequence remain poorly understood. We have therefore performed comparative molecular dynamics simulations of wildtype Hck and of a mutant Hck in which the SH3-SH2 domain linker is replaced by the corresponding sequence from the homologous kinase Lck. These simulations reveal that linker replacement not only affects the orientation of the SH3 domain itself, but also leads to an alternative conformation of the activation segment in the Hck kinase domain. The sequence of the SH3-SH2 domain linker thus exerts a remote effect on the active site geometry and might therefore play a role in modulating the structure of the inactive kinase or in fine-tuning the activation process itself.

  11. Optimization of Operations Resources via Discrete Event Simulation Modeling

    Science.gov (United States)

    Joshi, B.; Morris, D.; White, N.; Unal, R.

    1996-01-01

    The resource levels required for operation and support of reusable launch vehicles are typically defined through discrete event simulation modeling. Minimizing these resources constitutes an optimization problem involving discrete variables and simulation. Conventional approaches to solve such optimization problems involving integer valued decision variables are the pattern search and statistical methods. However, in a simulation environment that is characterized by search spaces of unknown topology and stochastic measures, these optimization approaches often prove inadequate. In this paper, we have explored the applicability of genetic algorithms to the simulation domain. Genetic algorithms provide a robust search strategy that does not require continuity and differentiability of the problem domain. The genetic algorithm successfully minimized the operation and support activities for a space vehicle, through a discrete event simulation model. The practical issues associated with simulation optimization, such as stochastic variables and constraints, were also taken into consideration.

  12. Composing simulations using persistent software components

    Energy Technology Data Exchange (ETDEWEB)

    Holland, J.V.; Michelsen, R.E.; Powell, D.R.; Upton, S.C.; Thompson, D.R.

    1999-03-01

    The traditional process for developing large-scale simulations is cumbersome, time consuming, costly, and in some cases, inadequate. The topics of software components and component-based software engineering are being explored by software professionals in academic and industrial settings. A component is a well-delineated, relatively independent, and replaceable part of a software system that performs a specific function. Many researchers have addressed the potential to derive a component-based approach to simulations in general, and a few have focused on military simulations in particular. In a component-based approach, functional or logical blocks of the simulation entities are represented as coherent collections of components satisfying explicitly defined interface requirements. A simulation is a top-level aggregate comprised of a collection of components that interact with each other in the context of a simulated environment. A component may represent a simulation artifact, an agent, or any entity that can generated events affecting itself, other simulated entities, or the state of the system. The component-based approach promotes code reuse, contributes to reducing time spent validating or verifying models, and promises to reduce the cost of development while still delivering tailored simulations specific to analysis questions. The Integrated Virtual Environment for Simulation (IVES) is a composition-centered framework to achieve this potential. IVES is a Java implementation of simulation composition concepts developed at Los Alamos National Laboratory for use in several application domains. In this paper, its use in the military domain is demonstrated via the simulation of dismounted infantry in an urban environment.

  13. Long-chain GM1 gangliosides alter transmembrane domain registration through interdigitation

    Czech Academy of Sciences Publication Activity Database

    Manna, M.; Javanainen, M.; Martinez-Seara Monne, Hector; Gabius, H. J.; Rog, T.; Vattulainen, I.

    2017-01-01

    Roč. 1859, č. 5 (2017), s. 870-878 ISSN 0005-2736 Institutional support: RVO:61388963 Keywords : glycosphingolipid * cholesterol * membrane domain * membrane registry * molecular dynamics * computer simulations Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 3.498, year: 2016

  14. Recent progress in synchrotron-based frequency-domain Fourier-transform THz-EPR.

    Science.gov (United States)

    Nehrkorn, Joscha; Holldack, Karsten; Bittl, Robert; Schnegg, Alexander

    2017-07-01

    We describe frequency-domain Fourier-transform THz-EPR as a method to assign spin-coupling parameters of high-spin (S>1/2) systems with very large zero-field splittings. The instrumental foundations of synchrotron-based FD-FT THz-EPR are presented, alongside with a discussion of frequency-domain EPR simulation routines. The capabilities of this approach is demonstrated for selected mono- and multinuclear HS systems. Finally, we discuss remaining challenges and give an outlook on the future prospects of the technique. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. Thermal- and urea-induced unfolding processes of glutathione S-transferase by molecular dynamics simulation.

    Science.gov (United States)

    Li, Jiahuang; Chen, Yuan; Yang, Jie; Hua, Zichun

    2015-05-01

    The Schistosoma juponicum 26 kDa glutathione S-transferase (sj26GST) consists of the N-terminal domain (N-domain), containing three alpha-helices (named H1-H3) and four anti-parallel beta-strands (S1-S4), and the C-terminal domain (C-domain), comprising five alpha-helices (named H4-H8). In present work, molecular dynamics simulations and fluorescence spectroscopic were used to gain insights into the unfolding process of sj26GST. The molecular dynamics simulations on sj26GST subunit both in water and in 8 M urea were carried out at 300 K, 400 K and 500 K, respectively. Spectroscopic measurements were employed to monitor structural changes. Molecular dynamics simulations of sj26GST subunit induced by urea and temperature showed that the initial unfolding step of sj26GST both in water and urea occurred on N-domain, involving the disruption of helices H2, H3 and strands S3 and S4, whereas H6 was the last region exposed to solution and was the last helix to unfold. Moreover, simulations analyses combining with fluorescence and circular dichroism spectra indicated that N-domain could not fold independent, suggesting that correct folding of N-domain depended on its interactions with C-domain. We further proposed that the folding of GSTs could begin with the hydrophobic collapse of C-domain whose H4, H5, H6 and H7 could move close to each other and form a hydrophobic core, especially H6 wrapped in the hydrophobic center and beginning spontaneous formation of the helix. S3, S4, H3, and H2 could form in the wake of the interaction between C-domain and N-domain. The paper can offer insights into the molecular mechanism of GSTs unfolding. © 2014 Wiley Periodicals, Inc.

  16. Electromagnetic simulation using the FDTD method

    CERN Document Server

    Sullivan, Dennis M

    2013-01-01

    A straightforward, easy-to-read introduction to the finite-difference time-domain (FDTD) method Finite-difference time-domain (FDTD) is one of the primary computational electrodynamics modeling techniques available. Since it is a time-domain method, FDTD solutions can cover a wide frequency range with a single simulation run and treat nonlinear material properties in a natural way. Written in a tutorial fashion, starting with the simplest programs and guiding the reader up from one-dimensional to the more complex, three-dimensional programs, this book provides a simple, yet comp

  17. Language Choice and Use of Malaysian Public University Lecturers in the Education Domain

    Science.gov (United States)

    Mei, Tam Lee; Abdullah, Ain Nadzimah; Heng, Chan Swee; Kasim, Zalina Binti Mohd

    2016-01-01

    It is a norm for people from a multilingual and multicultural country such as Malaysia to speak at least two or more languages. Thus, the Malaysian multilingual situation resulted in speakers having to make decisions about which languages are to be used for different purposes in different domains. In order to explain the phenomenon of language…

  18. Multiple Shooting and Time Domain Decomposition Methods

    CERN Document Server

    Geiger, Michael; Körkel, Stefan; Rannacher, Rolf

    2015-01-01

    This book offers a comprehensive collection of the most advanced numerical techniques for the efficient and effective solution of simulation and optimization problems governed by systems of time-dependent differential equations. The contributions present various approaches to time domain decomposition, focusing on multiple shooting and parareal algorithms.  The range of topics covers theoretical analysis of the methods, as well as their algorithmic formulation and guidelines for practical implementation. Selected examples show that the discussed approaches are mandatory for the solution of challenging practical problems. The practicability and efficiency of the presented methods is illustrated by several case studies from fluid dynamics, data compression, image processing and computational biology, giving rise to possible new research topics.  This volume, resulting from the workshop Multiple Shooting and Time Domain Decomposition Methods, held in Heidelberg in May 2013, will be of great interest to applied...

  19. Restoration in multi-domain GMPLS-based networks

    DEFF Research Database (Denmark)

    Manolova, Anna; Ruepp, Sarah Renée; Dittmann, Lars

    2011-01-01

    In this paper, we evaluate the efficiency of using restoration mechanisms in a dynamic multi-domain GMPLS network. Major challenges and solutions are introduced and two well-known restoration schemes (End-to-End and Local-to-End) are evaluated. Additionally, new restoration mechanisms are introdu......In this paper, we evaluate the efficiency of using restoration mechanisms in a dynamic multi-domain GMPLS network. Major challenges and solutions are introduced and two well-known restoration schemes (End-to-End and Local-to-End) are evaluated. Additionally, new restoration mechanisms...... are introduced: one based on the position of a failed link, called Location-Based, and another based on minimizing the additional resources consumed during restoration, called Shortest-New. A complete set of simulations in different network scenarios show where each mechanism is more efficient in terms, such as...

  20. Escitalopram prolonged fear induced by simulated public speaking and released hypothalamic-pituitary-adrenal axis activation.

    Science.gov (United States)

    Garcia-Leal, C; Del-Ben, C M; Leal, F M; Graeff, F G; Guimarães, F S

    2010-05-01

    Simulated public speaking (SPS) test is sensitive to drugs that interfere with serotonin-mediated neurotransmission and is supposed to recruit neural systems involved in panic disorder. The study was aimed at evaluating the effects of escitalopram, the most selective serotonin-selective reuptake inhibitor available, in SPS. Healthy males received, in a double-blind, randomized design, placebo (n = 12), 10 (n = 17) or 20 (n = 14) mg of escitalopram 2 hours before the test. Behavioural, autonomic and neuroendocrine measures were assessed. Both doses of escitalopram did not produce any effect before or during the speech but prolonged the fear induced by SPS. The test itself did not significantly change cortisol and prolactin levels but under the higher dose of escitalopram, cortisol and prolactin increased immediately after SPS. This fear-enhancing effect of escitalopram agrees with previously reported results with less selective serotonin reuptake inhibitors and the receptor antagonist ritanserin, indicating that serotonin inhibits the fear of speaking in public.

  1. Toxico-Cheminformatics: New and Expanding Public ...

    Science.gov (United States)

    High-throughput screening (HTS) technologies, along with efforts to improve public access to chemical toxicity information resources and to systematize older toxicity studies, have the potential to significantly improve information gathering efforts for chemical assessments and predictive capabilities in toxicology. Important developments include: 1) large and growing public resources that link chemical structures to biological activity and toxicity data in searchable format, and that offer more nuanced and varied representations of activity; 2) standardized relational data models that capture relevant details of chemical treatment and effects of published in vivo experiments; and 3) the generation of large amounts of new data from public efforts that are employing HTS technologies to probe a wide range of bioactivity and cellular processes across large swaths of chemical space. By annotating toxicity data with associated chemical structure information, these efforts link data across diverse study domains (e.g., ‘omics’, HTS, traditional toxicity studies), toxicity domains (carcinogenicity, developmental toxicity, neurotoxicity, immunotoxicity, etc) and database sources (EPA, FDA, NCI, DSSTox, PubChem, GEO, ArrayExpress, etc.). Public initiatives are developing systematized data models of toxicity study areas and introducing standardized templates, controlled vocabularies, hierarchical organization, and powerful relational searching capability across capt

  2. Advancing the Certified in Public Health Examination: A Job Task Analysis.

    Science.gov (United States)

    Kurz, Richard S; Yager, Christopher; Yager, James D; Foster, Allison; Breidenbach, Daniel H; Irwin, Zachary

    In 2014, the National Board of Public Health Examiners performed a job task analysis (JTA) to revise the Certified in Public Health (CPH) examination. The objectives of this study were to describe the development, administration, and results of the JTA survey; to present an analysis of the survey results; and to review the implications of this first-ever public health JTA. An advisory committee of public health professionals developed a list of 200 public health job tasks categorized into 10 work domains. The list of tasks was incorporated into a web-based survey, and a snowball sample of public health professionals provided 4850 usable responses. Respondents rated job tasks as essential (4), very important (3), important (2), not very important (1), and never performed (0). The mean task importance ratings ranged from 2.61 to 3.01 (important to very important). The highest mean ratings were for tasks in the ethics domain (mean rating, 3.01). Respondents ranked 10 of the 200 tasks as the most important, with mean task rankings ranging from 2.98 to 3.39. We found subtle differences between male and female respondents and between master of public health and doctor of public health respondents in their rankings. The JTA established a set of job tasks in 10 public health work domains, and the results provided a foundation for refining the CPH examination. Additional steps are needed to further modify the content outline of the examination. An empirical assessment of public health job tasks, using methods such as principal components analysis, may provide additional insight.

  3. Coproduction as a structural transformation of the public sector

    NARCIS (Netherlands)

    Meijer, Albert

    2016-01-01

    Purpose: Coproduction fundamentally changes the roles of citizens and governments. The purpose of this paper is to enhance the theoretical understanding of the transformative changes in the structural order of the public domain that result from the coproduction of public services.

  4. Simulation of semiconductor devices

    International Nuclear Information System (INIS)

    Oriato, D.

    2001-09-01

    In this thesis a drift diffusion model coupled with self-consistent solutions of Poisson's and Schroedinger's equations, is developed and used to investigate the operation of Gunn diodes and GaN-based LEDs. The model also includes parameters derived from Monte Carlo calculations of the simulated devices. In this way the characteristics of a Monte Carlo approach and of a quantum solver are built into a fast and flexible drift-diffusion model that can be used for testing a large number of heterostructure designs in a time-effective way. The full model and its numerical implementation are described in chapter 2. In chapter 3 the theory of Gunn diodes is presented. A basic model of the dynamics of domain formation and domain transport is described with particular regard to accumulation and dipole domains. Several modes of operation of the Gunn device are described, varying from the resonance mode to the quenched mode. Details about transferred electron devices and negative differential resistance in semiconductor materials are given. In chapter 4 results from the simulation of a simple conventional gunn device confirm the importance of the doping condition at the cathode. Accumulation or dipole domains are achieved respectively with high and low doping densities. The limits of a conventional Gunn diode are explained and solved by introducing the heterostructure Gunn diode. This new design consists of a conventional GaAs transit region coupled with an electron launcher at the cathode, made using an AIGaAs heterostructure step. Simulations show the importance of the insertion of a thin highly-doped layer between the transit region and the electron launcher in order to improve device operation. Chapter 5 is an introduction to Ill-nitrides, in particular GaN and its alloy ln-GaN. We outline the discrepancy in the elastic and piezoelectric parameters found in the literature. Strain, dislocations and piezoelectricity are presented as the main features of a InGaN/GaN system

  5. The YARHG domain: an extracellular domain in search of a function.

    Directory of Open Access Journals (Sweden)

    Penny Coggill

    Full Text Available We have identified a new bacterial protein domain that we hypothesise binds to peptidoglycan. This domain is called the YARHG domain after the most highly conserved sequence-segment. The domain is found in the extracellular space and is likely to be composed of four alpha-helices. The domain is found associated with protein kinase domains, suggesting it is associated with signalling in some bacteria. The domain is also found associated with three different families of peptidases. The large number of different domains that are found associated with YARHG suggests that it is a useful functional module that nature has recombined multiple times.

  6. Materialities of Law: Celebrity Production and the Public Domain

    Directory of Open Access Journals (Sweden)

    Esther Milne

    2009-12-01

    Full Text Available Celebrity production and consumption are powerful socio-economic forces. The celebrity functions as a significant economic resource for the commercial sector and plays a fundamental symbolic role within culture by providing a shared ‘vocabulary’ through which to understand contemporary social relations. A pivotal element of this allure is the process by which the celebrity figure is able to forge an intimate link with its audience, often producing public expressions of profound compassion, respect or revulsion. This process, however, is complicated by emerging participatory media forms whose impact is experienced as new conditions of possibility for celebrity production and consumption. As Marshall argues, video mash-ups of celebrity interviews, such as those of Christian Bale or Tom Cruise, are dramatically changing the relation between celebrity and audience (Marshall, 2006: 640. Meanings produced by these audience remixes challenge the extent to which a celebrity might control her image. So is the celebrity personality, therefore, a public or private commodity? Who owns the celebrity image within remix culture? Although the celebrity figure has been thoroughly researched in relation to its patterns of consumption; semiotic power; and industry construction; less attention has been focused on the forms of celebrity governance enabled by legislative and case law settings. How might the law deal with the significant economic and cultural power exercised within celebrity culture?

  7. Random-field Potts model for the polar domains of lead magnesium niobate and lead scandium tantalate

    Energy Technology Data Exchange (ETDEWEB)

    Qian, H.; Bursill, L.A

    1997-06-01

    A random filed Potts model is used to establish the spatial relationship between the nanoscale distribution of charges chemical defects and nanoscale polar domains for the perovskite-based relaxor materials lead magnesium niobate (PMN) and lead scandium tantalate (PST). The random fields are not set stochastically but are determined initially by the distribution of B-site cations (Mg, Nb) or (Sc, Ta) generated by Monte Carlo NNNI-model simulations for the chemical defects. An appropriate random field Potts model is derived and algorithms developed for a 2D lattice. It is shown that the local fields are strongly correlated with the chemical domain walls and that polar domains as a function of decreasing temperature is simulated for the two cases of PMN and PST. The dynamics of the polar clusters is also discussed. 33 refs., 9 figs.

  8. Research of time-domain equivalent circuit method in solving dispersion of coupled-cavity traveling-wave tube

    International Nuclear Information System (INIS)

    Li Wenjun; China Academy of Engineering Physics, Mianyang; Xu Zhou; Li Ming; Yang Xingfan; Chen Yanan; Liu Jie; Jin Xiao; Lin Yuzheng

    2008-01-01

    In this paper, a time-domain equivalent circuit method is applied to solve dispersion of coupled-cavity travelling-wave tube (CCTWT). First, the time-domain circuit equations of CCTWT coupled-cavity chain are deduced from the equivalent circuit model. Then, the equations are solved numerically by fourth-order Runge-Kutta method and a program CTTDCP is developed using MATLAB. Last, a L-band CCTWT is calculated using CTTDCP and the cavity pass-band of this tube is computed to be 1.08-1.48 GHz, which is consistent with the experimental results and the simulation results of electromagnetic code and demonstrates the validity of the time-domain equivalent circuit method. In addition, a new design method which uses the equivalent circuit method and electromagnetic simulation together to optimize the cold cavity characteristics of CCTWT is proposed. (authors)

  9. Computational Study of Correlated Domain Motions in the AcrB Efflux Transporter

    Directory of Open Access Journals (Sweden)

    Robert Schulz

    2015-01-01

    Full Text Available As active part of the major efflux system in E. coli bacteria, AcrB is responsible for the uptake and pumping of toxic substrates from the periplasm toward the extracellular space. In combination with the channel protein TolC and membrane fusion protein AcrA, this efflux pump is able to help the bacterium to survive different kinds of noxious compounds. With the present study we intend to enhance the understanding of the interactions between the domains and monomers, for example, the transduction of mechanical energy from the transmembrane domain into the porter domain, correlated motions of different subdomains within monomers, and cooperative effects between monomers. To this end, targeted molecular dynamics simulations have been employed either steering the whole protein complex or specific parts thereof. By forcing only parts of the complex towards specific conformational states, the risk for transient artificial conformations during the simulations is reduced. Distinct cooperative effects between the monomers in AcrB have been observed. Possible allosteric couplings have been identified providing microscopic insights that might be exploited to design more efficient inhibitors of efflux systems.

  10. A message-passing approach to random constraint satisfaction problems with growing domains

    International Nuclear Information System (INIS)

    Zhao, Chunyan; Zheng, Zhiming; Zhou, Haijun; Xu, Ke

    2011-01-01

    Message-passing algorithms based on belief propagation (BP) are implemented on a random constraint satisfaction problem (CSP) referred to as model RB, which is a prototype of hard random CSPs with growing domain size. In model RB, the number of candidate discrete values (the domain size) of each variable increases polynomially with the variable number N of the problem formula. Although the satisfiability threshold of model RB is exactly known, finding solutions for a single problem formula is quite challenging and attempts have been limited to cases of N ∼ 10 2 . In this paper, we propose two different kinds of message-passing algorithms guided by BP for this problem. Numerical simulations demonstrate that these algorithms allow us to find a solution for random formulas of model RB with constraint tightness slightly less than p cr , the threshold value for the satisfiability phase transition. To evaluate the performance of these algorithms, we also provide a local search algorithm (random walk) as a comparison. Besides this, the simulated time dependence of the problem size N and the entropy of the variables for growing domain size are discussed

  11. Orthogonal Multi-Carrier DS-CDMA with Frequency-Domain Equalization

    Science.gov (United States)

    Tanaka, Ken; Tomeba, Hiromichi; Adachi, Fumiyuki

    Orthogonal multi-carrier direct sequence code division multiple access (orthogonal MC DS-CDMA) is a combination of orthogonal frequency division multiplexing (OFDM) and time-domain spreading, while multi-carrier code division multiple access (MC-CDMA) is a combination of OFDM and frequency-domain spreading. In MC-CDMA, a good bit error rate (BER) performance can be achieved by using frequency-domain equalization (FDE), since the frequency diversity gain is obtained. On the other hand, the conventional orthogonal MC DS-CDMA fails to achieve any frequency diversity gain. In this paper, we propose a new orthogonal MC DS-CDMA that can obtain the frequency diversity gain by applying FDE. The conditional BER analysis is presented. The theoretical average BER performance in a frequency-selective Rayleigh fading channel is evaluated by the Monte-Carlo numerical computation method using the derived conditional BER and is confirmed by computer simulation of the orthogonal MC DS-CDMA signal transmission.

  12. Domain wall motion in ferromagnetic systems with perpendicular magnetization

    International Nuclear Information System (INIS)

    Szambolics, H.; Toussaint, J.-Ch.; Marty, A.; Miron, I.M.; Buda-Prejbeanu, L.D.

    2009-01-01

    Although we lack clear experimental evidence, apparently out-of-plane magnetized systems are better suited for spintronic applications than the in-plane magnetized ones, mainly due to the smaller current densities required for achieving domain wall motion. [Co/Pt] multilayers belong to the first category of materials, the out-of-plane magnetization orientation arising from the strong perpendicular magnetocrystalline anisotropy. If the magnetization arranges itself out-of-plane narrow Bloch walls occur. In the present paper, both field and current-driven domain wall motion have been investigated for this system, using micromagnetic simulations. Three types of geometries have been taken into account: bulk, thin film and wire, and for all of them a full comparison is done between the effect of the applied field and injected current. The reduction of the system's dimension induces the decrease of the critical field and the critical current, but it does not influence the domain wall displacement mechanism.

  13. Effects of clinically relevant MPL mutations in the transmembrane domain revealed at the atomic level through computational modeling.

    Science.gov (United States)

    Lee, Tai-Sung; Kantarjian, Hagop; Ma, Wanlong; Yeh, Chen-Hsiung; Giles, Francis; Albitar, Maher

    2011-01-01

    Mutations in the thrombopoietin receptor (MPL) may activate relevant pathways and lead to chronic myeloproliferative neoplasms (MPNs). The mechanisms of MPL activation remain elusive because of a lack of experimental structures. Modern computational biology techniques were utilized to explore the mechanisms of MPL protein activation due to various mutations. Transmembrane (TM) domain predictions, homology modeling, ab initio protein structure prediction, and molecular dynamics (MD) simulations were used to build structural dynamic models of wild-type and four clinically observed mutants of MPL. The simulation results suggest that S505 and W515 are important in keeping the TM domain in its correct position within the membrane. Mutations at either of these two positions cause movement of the TM domain, altering the conformation of the nearby intracellular domain in unexpected ways, and may cause the unwanted constitutive activation of MPL's kinase partner, JAK2. Our findings represent the first full-scale molecular dynamics simulations of the wild-type and clinically observed mutants of the MPL protein, a critical element of the MPL-JAK2-STAT signaling pathway. In contrast to usual explanations for the activation mechanism that are based on the relative translational movement between rigid domains of MPL, our results suggest that mutations within the TM region could result in conformational changes including tilt and rotation (azimuthal) angles along the membrane axis. Such changes may significantly alter the conformation of the adjacent and intrinsically flexible intracellular domain. Hence, caution should be exercised when interpreting experimental evidence based on rigid models of cytokine receptors or similar systems.

  14. iCrowd: agent-based behavior modeling and crowd simulator

    Science.gov (United States)

    Kountouriotis, Vassilios I.; Paterakis, Manolis; Thomopoulos, Stelios C. A.

    2016-05-01

    Initially designed in the context of the TASS (Total Airport Security System) FP-7 project, the Crowd Simulation platform developed by the Integrated Systems Lab of the Institute of Informatics and Telecommunications at N.C.S.R. Demokritos, has evolved into a complete domain-independent agent-based behavior simulator with an emphasis on crowd behavior and building evacuation simulation. Under continuous development, it reflects an effort to implement a modern, multithreaded, data-oriented simulation engine employing latest state-of-the-art programming technologies and paradigms. It is based on an extensible architecture that separates core services from the individual layers of agent behavior, offering a concrete simulation kernel designed for high-performance and stability. Its primary goal is to deliver an abstract platform to facilitate implementation of several Agent-Based Simulation solutions with applicability in several domains of knowledge, such as: (i) Crowd behavior simulation during [in/out] door evacuation. (ii) Non-Player Character AI for Game-oriented applications and Gamification activities. (iii) Vessel traffic modeling and simulation for Maritime Security and Surveillance applications. (iv) Urban and Highway Traffic and Transportation Simulations. (v) Social Behavior Simulation and Modeling.

  15. Three-dimensional inverse modelling of damped elastic wave propagation in the Fourier domain

    Science.gov (United States)

    Petrov, Petr V.; Newman, Gregory A.

    2014-09-01

    3-D full waveform inversion (FWI) of seismic wavefields is routinely implemented with explicit time-stepping simulators. A clear advantage of explicit time stepping is the avoidance of solving large-scale implicit linear systems that arise with frequency domain formulations. However, FWI using explicit time stepping may require a very fine time step and (as a consequence) significant computational resources and run times. If the computational challenges of wavefield simulation can be effectively handled, an FWI scheme implemented within the frequency domain utilizing only a few frequencies, offers a cost effective alternative to FWI in the time domain. We have therefore implemented a 3-D FWI scheme for elastic wave propagation in the Fourier domain. To overcome the computational bottleneck in wavefield simulation, we have exploited an efficient Krylov iterative solver for the elastic wave equations approximated with second and fourth order finite differences. The solver does not exploit multilevel preconditioning for wavefield simulation, but is coupled efficiently to the inversion iteration workflow to reduce computational cost. The workflow is best described as a series of sequential inversion experiments, where in the case of seismic reflection acquisition geometries, the data has been laddered such that we first image highly damped data, followed by data where damping is systemically reduced. The key to our modelling approach is its ability to take advantage of solver efficiency when the elastic wavefields are damped. As the inversion experiment progresses, damping is significantly reduced, effectively simulating non-damped wavefields in the Fourier domain. While the cost of the forward simulation increases as damping is reduced, this is counterbalanced by the cost of the outer inversion iteration, which is reduced because of a better starting model obtained from the larger damped wavefield used in the previous inversion experiment. For cross-well data, it is

  16. .Gov Domains API

    Data.gov (United States)

    General Services Administration — This dataset offers the list of all .gov domains, including state, local, and tribal .gov domains. It does not include .mil domains, or other federal domains outside...

  17. A Cross-Domain Explanation of the Metaphor "Teaching as Persuasion."

    Science.gov (United States)

    Woods, Bradford S.; Demerath, Peter

    2001-01-01

    Examines what the metaphor "teaching as persuasion" would mean in the domains of philosophy, anthropology, and teacher education, asserting that if such a metaphor is to be widely accepted by the educational community and the public, then this discussion is necessary. The metaphor suggests that in teacher education, learning to teach…

  18. Prion-Like Domains in Phagobiota

    Directory of Open Access Journals (Sweden)

    George Tetz

    2017-11-01

    Full Text Available Prions are molecules characterized by self-propagation, which can undergo a conformational switch leading to the creation of new prions. Prion proteins have originally been associated with the development of mammalian pathologies; however, recently they have been shown to contribute to the environmental adaptation in a variety of prokaryotic and eukaryotic organisms. Bacteriophages are widespread and represent the important regulators of microbiota homeostasis and have been shown to be diverse across various bacterial families. Here, we examined whether bacteriophages contain prion-like proteins and whether these prion-like protein domains are involved in the regulation of homeostasis. We used a computational algorithm, prion-like amino acid composition, to detect prion-like domains in 370,617 publicly available bacteriophage protein sequences, which resulted in the identification of 5040 putative prions. We analyzed a set of these prion-like proteins, and observed regularities in their distribution across different phage families, associated with their interactions with the bacterial host cells. We found that prion-like domains could be found across all phages of various groups of bacteria and archaea. The results obtained in this study indicate that bacteriophage prion-like proteins are predominantly involved in the interactions between bacteriophages and bacterial cell, such as those associated with the attachment and penetration of bacteriophage in the cell, and the release of the phage progeny. These data allow the identification of phage prion-like proteins as novel regulators of the interactions between bacteriophages and bacterial cells.

  19. A real scale simulator for high frequency LEMP

    Science.gov (United States)

    Gauthier, D.; Serafin, D.

    1991-01-01

    The real scale simulator is described which was designed by the Centre d'Etudes de Gramat (CEG) to study the coupling of fast rise time Lightning Electromagnetic pulse in a fighter aircraft. The system capability of generating the right electromagnetic environment was studied using a Finite Difference Time Domain (FDTD) computer program. First, data of inside stresses are shown. Then, a time domain and a frequency domain approach is exposed and compared.

  20. On the Definition of Public Relations: A European View.

    Science.gov (United States)

    Vercic, Dejan; van Ruler, Betteke; Butschi, Gerhard; Flodin, Bertil

    2001-01-01

    Introduces the project on the European Public Relations Body of Knowledge (EBOK). Reviews proposals on the definition, dimensions, and domain of public relations. Confronts these with findings from EBOK. Presents ideas on how to bridge the differences. Proposes ideas for further investigation. (SG)

  1. The Control of Anisotropic Transport in Manganites by Stripy Domains

    Science.gov (United States)

    Ju, Changcheng; Lu, Xiaomei; Chu, Yinghao

    2014-03-01

    Epitaxial thin film acts as a significant tool to investigate novel phenomena of complex oxide systems. Extrinsic constraint1 of uniform or certain designed buffer layer strain could be easily implanted to these materials. However, the strain distribution might be quite complicated by involving micro- or nano-lattice distortions which could partially relax the strain and determine the complex phase diagrams of thin film, meanwhile introducing structural and physical inhomogeneities. In this work , we report 71° striped ferroelectric domains created in BFO can also epitaxially lock the perovskite manganites leading to the emerge of ordered structural domain. LSMO/BFO hetero-epitaxial samples are deposited by PLD. The 71° periodic striped domains and coherent growth are demonstrated by PFM and X-ray analysis. Plan-view TEM and X-ray RSM have been used to confirm the epitaxial relationships of the functional layers and IP lattice constant. Both the simulation and structural analysis demonstrate we can create a periodic ordered stripe structural domain in LSMO. And this will leave an anisotropic distribution of structural domain walls which makes it possible to capture the anisotropic tunneling for strong electron-lattice coupling in manganites. Temperature-dependent resistivity measurements reveal a substantial anisotropic resistivities and a remarkable shift of the MI transition between the perpendicular and parallel to the stripe domain directions.

  2. Ultrabroadband THz time-domain spectroscopy of biomolecular crystals

    DEFF Research Database (Denmark)

    Kaltenecker, Korbinian J.; Engelbrecht, Sebastian; Iwaszczuk, Krzysztof

    2016-01-01

    Ultrabroadband THz time-domain spectroscopy based on two-color plasma generation and air biased coherent detection is used for the investigation of molecular dynamics of crystalline materials in the frequency range from 0.3 THz to 20 THz. We show that the spectral features in this extended...... frequency range are a result of inter- and intramolecular vibrations which are identified by means of simulations of the crystalline materials....

  3. Scarcity and Environmental Stress in Public Organizations: A Conjectural Essay.

    Science.gov (United States)

    Bozeman, Barry; Slusher, E. Allen

    1979-01-01

    Assuming extreme scarcity, arguments are developed that public organizations could be expected to constrain their domain definition, allow domain selection to dictate technology, seek clientele suited to existing technologies, and, in general, take actions that will ensure that existing technologies are employed at capacity. (Author/IRT)

  4. When frames align: The interplay between PR, news media, and the public in times of crisis

    NARCIS (Netherlands)

    van der Meer, T.G.L.A.; Verhoeven, P.; Beentjes, H.; Vliegenthart, R.

    2014-01-01

    This study focuses on the frame-building process of organizational-crisis situations in the interplay between the domains public relations (PR), news media, and the public. The purpose of the study is to investigate whether the crisis frames of the domains align over time. To empirically analyze

  5. Same but not alike: Structure, flexibility and energetics of domains in multi-domain proteins are influenced by the presence of other domains.

    Science.gov (United States)

    Vishwanath, Sneha; de Brevern, Alexandre G; Srinivasan, Narayanaswamy

    2018-02-01

    The majority of the proteins encoded in the genomes of eukaryotes contain more than one domain. Reasons for high prevalence of multi-domain proteins in various organisms have been attributed to higher stability and functional and folding advantages over single-domain proteins. Despite these advantages, many proteins are composed of only one domain while their homologous domains are part of multi-domain proteins. In the study presented here, differences in the properties of protein domains in single-domain and multi-domain systems and their influence on functions are discussed. We studied 20 pairs of identical protein domains, which were crystallized in two forms (a) tethered to other proteins domains and (b) tethered to fewer protein domains than (a) or not tethered to any protein domain. Results suggest that tethering of domains in multi-domain proteins influences the structural, dynamic and energetic properties of the constituent protein domains. 50% of the protein domain pairs show significant structural deviations while 90% of the protein domain pairs show differences in dynamics and 12% of the residues show differences in the energetics. To gain further insights on the influence of tethering on the function of the domains, 4 pairs of homologous protein domains, where one of them is a full-length single-domain protein and the other protein domain is a part of a multi-domain protein, were studied. Analyses showed that identical and structurally equivalent functional residues show differential dynamics in homologous protein domains; though comparable dynamics between in-silico generated chimera protein and multi-domain proteins were observed. From these observations, the differences observed in the functions of homologous proteins could be attributed to the presence of tethered domain. Overall, we conclude that tethered domains in multi-domain proteins not only provide stability or folding advantages but also influence pathways resulting in differences in

  6. Molecular recognition of H3/H4 histone tails by the tudor domains of JMJD2A: a comparative molecular dynamics simulations study.

    Directory of Open Access Journals (Sweden)

    Musa Ozboyaci

    Full Text Available BACKGROUND: Histone demethylase, JMJD2A, specifically recognizes and binds to methylated lysine residues at histone H3 and H4 tails (especially trimethylated H3K4 (H3K4me3, trimethylated H3K9 (H3K9me3 and di,trimethylated H4K20 (H4K20me2, H4K20me3 via its tandem tudor domains. Crystal structures of JMJD2A-tudor binding to H3K4me3 and H4K20me3 peptides are available whereas the others are not. Complete picture of the recognition of the four histone peptides by the tandem tudor domains yet remains to be clarified. METHODOLOGY/PRINCIPAL FINDINGS: We report a detailed molecular dynamics simulation and binding energy analysis of the recognition of JMJD2A-tudor with four different histone tails. 25 ns fully unrestrained molecular dynamics simulations are carried out for each of the bound and free structures. We investigate the important hydrogen bonds and electrostatic interactions between the tudor domains and the peptide molecules and identify the critical residues that stabilize the complexes. Our binding free energy calculations show that H4K20me2 and H3K9me3 peptides have the highest and lowest affinity to JMJD2A-tudor, respectively. We also show that H4K20me2 peptide adopts the same binding mode with H4K20me3 peptide, and H3K9me3 peptide adopts the same binding mode with H3K4me3 peptide. Decomposition of the enthalpic and the entropic contributions to the binding free energies indicate that the recognition of the histone peptides is mainly driven by favourable van der Waals interactions. Residue decomposition of the binding free energies with backbone and side chain contributions as well as their energetic constituents identify the hotspots in the binding interface of the structures. CONCLUSION: Energetic investigations of the four complexes suggest that many of the residues involved in the interactions are common. However, we found two receptor residues that were related to selective binding of the H3 and H4 ligands. Modifications or mutations

  7. Domain learning naming game for color categorization.

    Science.gov (United States)

    Li, Doujie; Fan, Zhongyan; Tang, Wallace K S

    2017-01-01

    Naming game simulates the evolution of vocabulary in a population of agents. Through pairwise interactions in the games, agents acquire a set of vocabulary in their memory for object naming. The existing model confines to a one-to-one mapping between a name and an object. Focus is usually put onto name consensus in the population rather than knowledge learning in agents, and hence simple learning model is usually adopted. However, the cognition system of human being is much more complex and knowledge is usually presented in a complicated form. Therefore, in this work, we extend the agent learning model and design a new game to incorporate domain learning, which is essential for more complicated form of knowledge. In particular, we demonstrate the evolution of color categorization and naming in a population of agents. We incorporate the human perceptive model into the agents and introduce two new concepts, namely subjective perception and subliminal stimulation, in domain learning. Simulation results show that, even without any supervision or pre-requisition, a consensus of a color naming system can be reached in a population solely via the interactions. Our work confirms the importance of society interactions in color categorization, which is a long debate topic in human cognition. Moreover, our work also demonstrates the possibility of cognitive system development in autonomous intelligent agents.

  8. Public sector leadership: New perspectives for research and practice

    OpenAIRE

    D. Orazi; A.Turrini; G. Valotti

    2013-01-01

    In this paper, we aim to portray the state of the art in public sector leadership in order to recommend directions for research and training practice. To this end, we review the scattered strands of literature on public sector leadership (PSL) and classify them in a single framework. The results of the study suggest that public sector leadership is emerging as a distinctive and autonomous domain in public administration/public management studies, although the debate is still underdeveloped co...

  9. Using random response input in Ibrahim Time Domain

    DEFF Research Database (Denmark)

    Olsen, Peter; Brincker, R.

    2013-01-01

    In this paper the time domain technique Ibrahim Time Domain (ITD) is used to analyze random time data. ITD is known to be a technique for identification of output only systems. The traditional formulation of ITD is claimed to be limited, when identifying closely spaced modes, because....... In this article it is showed that when using the modified ITD random time data can be analyzed. The application of the technique is displayed by a case study, with simulations and experimental data....... of the technique being Single Input Multiple Output (SIMO). It has earlier been showed that when modifying ITD with Toeplitz matrix averaging. Identification of time data with closely spaced modes is improved. In the traditional formulation of ITD the time data has to be free decays or impulse response functions...

  10. Simulated disclosure of a medical error by residents: development of a course in specific communication skills.

    Science.gov (United States)

    Raper, Steven E; Resnick, Andrew S; Morris, Jon B

    2014-01-01

    Surgery residents are expected to demonstrate the ability to communicate with patients, families, and the public in a wide array of settings on a wide variety of issues. One important setting in which residents may be required to communicate with patients is in the disclosure of medical error. This article details one approach to developing a course in the disclosure of medical errors by residents. Before the development of this course, residents had no education in the skills necessary to disclose medical errors to patients. Residents viewed a Web-based video didactic session and associated slide deck and then were filmed disclosing a wrong-site surgery to a standardized patient (SP). The filmed encounter was reviewed by faculty, who then along with the SP scored each encounter (5-point Likert scale) over 10 domains of physician-patient communication. The residents received individualized written critique, the numerical analysis of their individual scenario, and an opportunity to provide feedback over a number of domains. A mean score of 4.00 or greater was considered satisfactory. Faculty and SP assessments were compared with Student t test. Residents were filmed in a one-on-one scenario in which they had to disclose a wrong-site surgery to a SP in a Simulation Center. A total of 12 residents, shortly to enter the clinical postgraduate year 4, were invited to participate, as they will assume service leadership roles. All were finishing their laboratory experiences, and all accepted the invitation. Residents demonstrated satisfactory competence in 4 of the 10 domains assessed by the course faculty. There were significant differences in the perceptions of the faculty and SP in 5 domains. The residents found this didactic, simulated experience of value (Likert score ≥4 in 5 of 7 domains assessed in a feedback tool). Qualitative feedback from the residents confirmed the realistic feel of the encounter and other impressions. We were able to quantitatively

  11. Public debate - radioactive wastes management; Debat public - gestion des dechets radioactifs

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2005-07-01

    Between September 2005 and January 2006 a national debate has been organized on the radioactive wastes management. This debate aimed to inform the public and to allow him to give his opinion. This document presents, the reasons of this debate, the operating, the synthesis of the results and technical documents to bring information in the domain of radioactive wastes management. (A.L.B.)

  12. Knowledge-based public health situation awareness

    Science.gov (United States)

    Mirhaji, Parsa; Zhang, Jiajie; Srinivasan, Arunkumar; Richesson, Rachel L.; Smith, Jack W.

    2004-09-01

    There have been numerous efforts to create comprehensive databases from multiple sources to monitor the dynamics of public health and most specifically to detect the potential threats of bioterrorism before widespread dissemination. But there are not many evidences for the assertion that these systems are timely and dependable, or can reliably identify man made from natural incident. One must evaluate the value of so called 'syndromic surveillance systems' along with the costs involved in design, development, implementation and maintenance of such systems and the costs involved in investigation of the inevitable false alarms1. In this article we will introduce a new perspective to the problem domain with a shift in paradigm from 'surveillance' toward 'awareness'. As we conceptualize a rather different approach to tackle the problem, we will introduce a different methodology in application of information science, computer science, cognitive science and human-computer interaction concepts in design and development of so called 'public health situation awareness systems'. We will share some of our design and implementation concepts for the prototype system that is under development in the Center for Biosecurity and Public Health Informatics Research, in the University of Texas Health Science Center at Houston. The system is based on a knowledgebase containing ontologies with different layers of abstraction, from multiple domains, that provide the context for information integration, knowledge discovery, interactive data mining, information visualization, information sharing and communications. The modular design of the knowledgebase and its knowledge representation formalism enables incremental evolution of the system from a partial system to a comprehensive knowledgebase of 'public health situation awareness' as it acquires new knowledge through interactions with domain experts or automatic discovery of new knowledge.

  13. An adaptive algorithm for simulation of stochastic reaction-diffusion processes

    International Nuclear Information System (INIS)

    Ferm, Lars; Hellander, Andreas; Loetstedt, Per

    2010-01-01

    We propose an adaptive hybrid method suitable for stochastic simulation of diffusion dominated reaction-diffusion processes. For such systems, simulation of the diffusion requires the predominant part of the computing time. In order to reduce the computational work, the diffusion in parts of the domain is treated macroscopically, in other parts with the tau-leap method and in the remaining parts with Gillespie's stochastic simulation algorithm (SSA) as implemented in the next subvolume method (NSM). The chemical reactions are handled by SSA everywhere in the computational domain. A trajectory of the process is advanced in time by an operator splitting technique and the timesteps are chosen adaptively. The spatial adaptation is based on estimates of the errors in the tau-leap method and the macroscopic diffusion. The accuracy and efficiency of the method are demonstrated in examples from molecular biology where the domain is discretized by unstructured meshes.

  14. Validation process of simulation model; Proceso de validacion de modelos de simulacion

    Energy Technology Data Exchange (ETDEWEB)

    San Isidro Pindado, M J

    1998-12-31

    It is presented a methodology on empirical about any detailed simulation model. This kind of validation it is always related with an experimental case. The empirical validation has a residual sense, because the conclusions are based on comparison between simulated outputs and experimental measurements. This methodology will guide us to detect the fails of the simulation model. Furthermore, it can be used a guide in the design of posteriori experiments. Three steps can be well differentiated: - Sensitivity analysis. It can be made with a DSA, differential sensitivity analysis, and with a MCSA, Monte-Carlo sensitivity analysis. - Looking the optimal domains of the input parameters. It has been developed a procedure based on the Monte-Carlo methods and Cluster techniques, to find the optimal domains of these parameters. - Residual analysis. This analysis has been made on the time domain on the frequency domain, it has been used the correlation analysis and spectral analysis. As application of this methodology, it is presented the validation carried out on a thermal simulation model on buildings, ESP studying the behavior of building components on a Test Cell of LECE of CIEMAT. (Author)

  15. Validation process of simulation model; Proceso de validacion de modelos de simulacion

    Energy Technology Data Exchange (ETDEWEB)

    San Isidro Pindado, M.J.

    1997-12-31

    It is presented a methodology on empirical about any detailed simulation model. This kind of validation it is always related with an experimental case. The empirical validation has a residual sense, because the conclusions are based on comparison between simulated outputs and experimental measurements. This methodology will guide us to detect the fails of the simulation model. Furthermore, it can be used a guide in the design of posteriori experiments. Three steps can be well differentiated: - Sensitivity analysis. It can be made with a DSA, differential sensitivity analysis, and with a MCSA, Monte-Carlo sensitivity analysis. - Looking the optimal domains of the input parameters. It has been developed a procedure based on the Monte-Carlo methods and Cluster techniques, to find the optimal domains of these parameters. - Residual analysis. This analysis has been made on the time domain on the frequency domain, it has been used the correlation analysis and spectral analysis. As application of this methodology, it is presented the validation carried out on a thermal simulation model on buildings, ESP studying the behavior of building components on a Test Cell of LECE of CIEMAT. (Author)

  16. Fast damage imaging using the time-reversal technique in the frequency–wavenumber domain

    International Nuclear Information System (INIS)

    Zhu, R; Huang, G L; Yuan, F G

    2013-01-01

    The time-reversal technique has been successfully used in structural health monitoring (SHM) for quantitative imaging of damage. However, the technique is very time-consuming when it is implemented in the time domain. In this paper, we study the technique in the frequency–wavenumber (f–k) domain for fast real-time imaging of multiple damage sites in plates using scattered flexural plate waves. Based on Mindlin plate theory, the time reversibility of dispersive flexural waves in an isotropic plate is theoretically investigated in the f–k domain. A fast damage imaging technique is developed by using the cross-correlation between the back-propagated scattered wavefield and the incident wavefield in the frequency domain. Numerical simulations demonstrate that the proposed technique cannot only localize multiple damage sites but also potentially identify their sizes. Moreover, the time-reversal technique in the f–k domain is about two orders of magnitude faster than the method in the time domain. Finally, experimental testing of an on-line SHM system with a sparse piezoelectric sensor array is conducted for fast multiple damage identification using the proposed technique. (paper)

  17. MATLAB simulation for an experimental setup of digital feedback control

    International Nuclear Information System (INIS)

    Zheng Lifang; Liu Songqiang

    2005-01-01

    This paper describes the digital feedback simulation using MATLAB for an experimental accelerator control setup. By analyzing the plant characteristic in time-domain and frequency-domain, a guideline for design of digital filter and PID controller is derived. (authors)

  18. Optimization of Hybrid Power Trains by Mechanistic System Simulations Optimisation de groupes motopropulseurs électriques hybrides par simulation du système mécanique

    Directory of Open Access Journals (Sweden)

    Katrašnik T.

    2013-05-01

    Full Text Available The paper presents a mechanistic system level simulation model for mode/big hybrid and conventional vehicle topologies. The paper addresses the Dynamic interaction between different domains: internal combustion engine. exhaust after treatment devices, electric components. mechanical drive train. cooling circuit system and corresponding control units. To achieve a good ratio between accuracy. predictability and computational speed of the model an innovative time domain decoupling is presented, which is based on applying domain specific integration steps to ditferent domains and subsequent consistent cross-domain coupling ol’thefluxes. In addition, a computationally efficient frunieveork for transporting active and passive gaseous species is introduced to combine computational efficiency with the need for modeling pollutant transport in the gas path. The applicability and versatility of the mechanistic system level simulations model is presented through analyses of transient phenomena caused by the high interdependency of the sub-systems, i.e. domains. Results of a hyt’hrid vehicle are compared to results of a conventional vehicle to highlight differences in operating regimes of partiular components that are inherent to particular poster train topology. L’article présente un modèle de simulation au niveau mécanique destiné à la modélisation de topologies de véhicules hydrides et conventionnels. L’article décrit l’interaction dynamique entre différents domaines : moteur à combustion interne, dispositifs de post-traitement d’échappement, composants électriques, chaîne cinématique mécanique, circuit de refroidissement et les unités de contrôle correspondantes. Afin d’obtenir un rapport correct entre précision, prévisibilité et vitesse de calculs du modèle, un découplage innovant du domaine temporel est présenté, lequel est basé sur l’application à différents domaines, d’étapes d’intégration sp

  19. Modulated Magnetic Nanowires for Controlling Domain Wall Motion: Toward 3D Magnetic Memories

    KAUST Repository

    Ivanov, Yurii P.; Chuvilin, Andrey; Lopatin, Sergei; Kosel, Jü rgen

    2016-01-01

    Cylindrical magnetic nanowires are attractive materials for next generation data storage devices owing to the theoretically achievable high domain wall velocity and their efficient fabrication in highly dense arrays. In order to obtain control over domain wall motion, reliable and well-defined pinning sites are required. Here, we show that modulated nanowires consisting of alternating nickel and cobalt sections facilitate efficient domain wall pinning at the interfaces of those sections. By combining electron holography with micromagnetic simulations, the pinning effect can be explained by the interaction of the stray fields generated at the interface and the domain wall. Utilizing a modified differential phase contrast imaging, we visualized the pinned domain wall with a high resolution, revealing its three-dimensional vortex structure with the previously predicted Bloch point at its center. These findings suggest the potential of modulated nanowires for the development of high-density, three-dimensional data storage devices. © 2016 American Chemical Society.

  20. Modulated Magnetic Nanowires for Controlling Domain Wall Motion: Toward 3D Magnetic Memories

    KAUST Repository

    Ivanov, Yurii P.

    2016-05-03

    Cylindrical magnetic nanowires are attractive materials for next generation data storage devices owing to the theoretically achievable high domain wall velocity and their efficient fabrication in highly dense arrays. In order to obtain control over domain wall motion, reliable and well-defined pinning sites are required. Here, we show that modulated nanowires consisting of alternating nickel and cobalt sections facilitate efficient domain wall pinning at the interfaces of those sections. By combining electron holography with micromagnetic simulations, the pinning effect can be explained by the interaction of the stray fields generated at the interface and the domain wall. Utilizing a modified differential phase contrast imaging, we visualized the pinned domain wall with a high resolution, revealing its three-dimensional vortex structure with the previously predicted Bloch point at its center. These findings suggest the potential of modulated nanowires for the development of high-density, three-dimensional data storage devices. © 2016 American Chemical Society.

  1. Analysis of ultra-narrow ferromagnetic domain walls

    Energy Technology Data Exchange (ETDEWEB)

    Jenkins, Catherine; Paul, David

    2012-01-10

    New materials with high magnetic anisotropy will have domains separated by ultra-narrow ferromagnetic walls with widths on the order of a few unit cells, approaching the limit where the elastic continuum approximation often used in micromagnetic simulations is accurate. The limits of this approximation are explored, and the static and dynamic interactions with intrinsic crystalline defects and external driving elds are modeled. The results developed here will be important when considering the stability of ultra-high-density storage media.

  2. Molecular Mechanics of the α-Actinin Rod Domain: Bending, Torsional, and Extensional Behavior

    Science.gov (United States)

    Golji, Javad; Collins, Robert; Mofrad, Mohammad R. K.

    2009-01-01

    α-Actinin is an actin crosslinking molecule that can serve as a scaffold and maintain dynamic actin filament networks. As a crosslinker in the stressed cytoskeleton, α-actinin can retain conformation, function, and strength. α-Actinin has an actin binding domain and a calmodulin homology domain separated by a long rod domain. Using molecular dynamics and normal mode analysis, we suggest that the α-actinin rod domain has flexible terminal regions which can twist and extend under mechanical stress, yet has a highly rigid interior region stabilized by aromatic packing within each spectrin repeat, by electrostatic interactions between the spectrin repeats, and by strong salt bridges between its two anti-parallel monomers. By exploring the natural vibrations of the α-actinin rod domain and by conducting bending molecular dynamics simulations we also predict that bending of the rod domain is possible with minimal force. We introduce computational methods for analyzing the torsional strain of molecules using rotating constraints. Molecular dynamics extension of the α-actinin rod is also performed, demonstrating transduction of the unfolding forces across salt bridges to the associated monomer of the α-actinin rod domain. PMID:19436721

  3. Magnetic vortex state and multi-domain pattern in electrodeposited hemispherical nanogranular nickel films

    International Nuclear Information System (INIS)

    Samardak, Alexander; Sukovatitsina, Ekaterina; Ognev, Alexey; Stebliy, Maksim; Davydenko, Alexander; Chebotkevich, Ludmila; Keun Kim, Young; Nasirpouri, Forough; Janjan, Seyed-Mehdi; Nasirpouri, Farzad

    2014-01-01

    Magnetic states of nickel nanogranular films were studied in two distinct structures of individual and agglomerated granules electrodeposited on n-type Si(1 1 1) surface from a modified Watts bath at a low pH of 2. Magnetic force microscopy and micromagnetic simulations revealed three-dimensional out-of-plane magnetic vortex states in stand-alone hemispherical granules and their arrays, and multi-domain patterns in large agglomerates and integrated films. Once the granules coalesce into small chains or clusters, the coercivity values increased due to the reduction of inter-granular spacing and strengthening of the magnetostatic interaction. Further growth leads to the formation of a continuous granulated film which strongly affected the coercivity and remanence. This was characterized by the domain wall nucleation and propagation leading to a stripe domain pattern. Magnetoresistance measurements as a function of external magnetic field are indicative of anisotropic magnetoresistance (AMR) for the continuous films electrodeposited on Si substrate. - Highlights: • Magnetic states of electrodeposited nickel in isolated spherical and agglomerated nanogranules, and a continuous film. • Preferential magnetization reversal mechanism in isolated granules is vortex state. • Micromagnetic simulations confirm the three-dimensional vortex. • Transition between the vortex state and multi-domain magnetic pattern causes a significant decrease in the coercive force. • Continuous nickel films electrodeposited on silicon substrate exhibit AMR whose magnitude increases with the film thickness

  4. Enhancing Dental Students' Understanding of Poverty Through Simulation.

    Science.gov (United States)

    Lampiris, Lewis N; White, Alex; Sams, Lattice D; White, Tiffany; Weintraub, Jane A

    2017-09-01

    Dental students should develop an understanding of the barriers to and frustrations with accessing dental care and maintaining optimal oral health experienced by persons with limited resources rather than blaming the patient or caregiver. Developing this understanding may be aided by helping students learn about the lives of underserved and vulnerable patients they will encounter not only in extramural rotations, but throughout their careers. The aim of this study was to determine if dental students' understanding of daily challenges faced by families with low income changed as a result of a poverty simulation. In 2015 and 2016, an experiential poverty simulation was used to prepare third-year dental students at one U.S. dental school for their upcoming required community-based rotations. In 2015, United Way staff conducted the simulation using the Missouri Community Action Poverty Simulation (CAPS); in 2016, faculty members trained in CAPS conducted the simulation using a modified version of the tool. In the simulation, students were assigned to family units experiencing various types of hardship and were given specific identities for role-playing. A retrospective pretest and a posttest were used to assess change in levels of student understanding after the simulation. Students assessed their level of understanding in five domains: financial pressures, difficult choices, difficulties in improving one's situation, emotional stressors, and impact of community resources for those living in poverty. The survey response rates in 2015 and 2016 were 86% and 74%, respectively. For each of the five domains, students' understanding increased from 58% to 74% per domain. The majority reported that the exercise was very valuable or somewhat valuable (74% in 2015, 88% in 2016). This study found that a poverty simulation was effective in raising dental students' understanding of the challenges faced by low-income families. It also discovered that framing the issues in the

  5. Expanding the landscape of chromatin modification (CM-related functional domains and genes in human.

    Directory of Open Access Journals (Sweden)

    Shuye Pu

    2010-11-01

    Full Text Available Chromatin modification (CM plays a key role in regulating transcription, DNA replication, repair and recombination. However, our knowledge of these processes in humans remains very limited. Here we use computational approaches to study proteins and functional domains involved in CM in humans. We analyze the abundance and the pair-wise domain-domain co-occurrences of 25 well-documented CM domains in 5 model organisms: yeast, worm, fly, mouse and human. Results show that domains involved in histone methylation, DNA methylation, and histone variants are remarkably expanded in metazoan, reflecting the increased demand for cell type-specific gene regulation. We find that CM domains tend to co-occur with a limited number of partner domains and are hence not promiscuous. This property is exploited to identify 47 potentially novel CM domains, including 24 DNA-binding domains, whose role in CM has received little attention so far. Lastly, we use a consensus Machine Learning approach to predict 379 novel CM genes (coding for 329 proteins in humans based on domain compositions. Several of these predictions are supported by very recent experimental studies and others are slated for experimental verification. Identification of novel CM genes and domains in humans will aid our understanding of fundamental epigenetic processes that are important for stem cell differentiation and cancer biology. Information on all the candidate CM domains and genes reported here is publicly available.

  6. SOFIA - A simulation tool for bottom founded and floating offshore structures

    DEFF Research Database (Denmark)

    Nielsen, Morten Eggert; Ulriksen, Martin Dalgaard; Damkilde, Lars

    2017-01-01

    This paper presents a recently developed simulation tool, SOFIA (Simulation Of Floaters In Action), suitable for modeling slender bottom founded and moored/freely floating space frame structures exposed to environmental loads. In contrast to traditional rigid body formulations of floating...... and structure domains, which are coupled through the structural equation of motion. The structural domain is handled by means of the finite element method, while large displacements and stress stiffening effects, exhibited by moored floating structures, are inherently included due to a co-rotational element...... formulation. The fluid domain is modeled by an appropriate water wave theory, and the hydrodynamic loads are evaluated at the instantaneous fluid-structure interface by means of a relative Morison equation. The equation of motion is solved in time domain, which makes SOFIA capable of handling bottom founded...

  7. Joint time-frequency domain proportional fair scheduler with HARQ for 3GPP LTE systems

    OpenAIRE

    Beh, KC; Doufexi, A; Armour, SMD

    2008-01-01

    This paper explores the potential gain of joint diversity in both frequency domain and time domain which can be exploited to achieve spectral efficiency gains whilst simultaneously facilitating QoS/ fairness in an OFDMA system particularly in 3GPP Long Term Evolution (LTE)). The performance of several joint time-frequency schedulers is investigated. Simulation results show that joint time frequency schedulers achieve significantly superior performance compared to a more conventional time doma...

  8. Opening of energy markets: consequences on the missions of public utility and of security of supplies in the domain of electric power and gas; Ouverture des marches energetiques: consequences sur les missions de service public et de securite d'approvisionnement pour l'electricite et le gaz

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-07-01

    This conference was jointly organized by the International Energy Agency (IEA) and the French ministry of economy, finances, and industry (general direction of energy and raw materials, DGEMP). It was organized in 6 sessions dealing with: 1 - the public utility in the domain of energy: definition of the public utility missions, experience feedback about liberalized markets, public utility obligation and pricing regulation; 2 - the new US energy policy and the lessons learnt from the California crisis; 3 - the security of electric power supplies: concepts of security of supplies, opinion of operators, security of power supplies versus liberalization and investments; 4 - security of gas supplies: markets liberalization and investments, long-term contracts and security of supplies; 5 - debate: how to integrate the objectives of public utility and of security of supplies in a competing market; 6 - conclusions. This document brings together the available talks and transparencies presented at the conference. (J.S.)

  9. On the efficiency of BGP-TE extensions for GMPLS multi-domain routing

    DEFF Research Database (Denmark)

    Manolova, Anna Vasileva; Ruepp, Sarah Renée; Buron, Jakob Due

    2009-01-01

    This paper evaluates the efficiency of set of modifications to the border gateway protocol (BGP) which aim at providing flexible traffic engineering (TE) across multiple GMPLS domains. A short overview and analysis of existing proposals for BGP-TE extensions is presented. Based on that, three...... modifications are proposed for support of multi-domain TE: an end-to-end path-specific TE attribute, a border node attribute and a behavioral modification of the protocol. Via analysis and extensive simulations we show that the proposed enhancements successfully improve the most significant BGP drawbacks...

  10. Selection and Evaluation of Priority Domains in Global Energy Internet Standard Development Based on Technology Foresight

    Science.gov (United States)

    Jin, Yang; Ciwei, Gao; Jing, Zhang; Min, Sun; Jie, Yu

    2017-05-01

    The selection and evaluation of priority domains in Global Energy Internet standard development will help to break through limits of national investment, thus priority will be given to standardizing technical areas with highest urgency and feasibility. Therefore, in this paper, the process of Delphi survey based on technology foresight is put forward, the evaluation index system of priority domains is established, and the index calculation method is determined. Afterwards, statistical method is used to evaluate the alternative domains. Finally the top four priority domains are determined as follows: Interconnected Network Planning and Simulation Analysis, Interconnected Network Safety Control and Protection, Intelligent Power Transmission and Transformation, and Internet of Things.

  11. Simulation of time-dependent free-surface Navier-Stokes flows

    International Nuclear Information System (INIS)

    Muldowney, G.P.

    1989-01-01

    Two numerical methods for simulation of time-dependent free-surface Navier-Stokes flows are developed. Both techniques are based on semi-implicit time advancement of the momentum equations, integral formulation of the spatial problem at each timestep, and spectral-element discretization to solve the resulting integral equation. Central to each algorithm is a boundary-specific solution step which permits the spatial treatment in two dimensions to be performed in O(N 3 ) operations per timestep despite the presence of deforming geometry. The first approach is a domain-integral formulation involving integrals over the entire flow domain of kernel functions which arise in time-differencing the Navier-Stokes equations. The second is a particular-solution formulation which replaces domain integration with an iterative scheme to generate particular velocity and pressure fields on individual elements, followed by a patching step to produce a particular solution continuous over the full domain. Two of the most difficult aspects of viscous free-surface flow simulations, namely time-dependent geometry and nontrivial boundary conditions, are well accommodated by these integral equation techniques. In addition the methods offer spectral accuracy in space and admit arbitrarily high-order discretization in time. For large-scale computations and/or long-term time advancement the domain-integral algorithm must be executed on a supercomputer to deliver results in reasonable processing time. A detailed simulation of gas liquid flow with full resolution of the free phase boundary requires approximately five CPU hours at 80 megaflops

  12. Simulation of neutron transport equation using parallel Monte Carlo for deep penetration problems

    International Nuclear Information System (INIS)

    Bekar, K. K.; Tombakoglu, M.; Soekmen, C. N.

    2001-01-01

    Neutron transport equation is simulated using parallel Monte Carlo method for deep penetration neutron transport problem. Monte Carlo simulation is parallelized by using three different techniques; direct parallelization, domain decomposition and domain decomposition with load balancing, which are used with PVM (Parallel Virtual Machine) software on LAN (Local Area Network). The results of parallel simulation are given for various model problems. The performances of the parallelization techniques are compared with each other. Moreover, the effects of variance reduction techniques on parallelization are discussed

  13. Finding a needle in a haystack: the role of electrostatics in target lipid recognition by PH domains.

    Directory of Open Access Journals (Sweden)

    Craig N Lumb

    Full Text Available Interactions between protein domains and lipid molecules play key roles in controlling cell membrane signalling and trafficking. The pleckstrin homology (PH domain is one of the most widespread, binding specifically to phosphatidylinositol phosphates (PIPs in cell membranes. PH domains must locate specific PIPs in the presence of a background of approximately 20% anionic lipids within the cytoplasmic leaflet of the plasma membrane. We investigate the mechanism of such recognition via a multiscale procedure combining Brownian dynamics (BD and molecular dynamics (MD simulations of the GRP1 PH domain interacting with phosphatidylinositol (3,4,5-trisphosphate (PI(3,4,5P₃. The interaction of GRP1-PH with PI(3,4,5P₃ in a zwitterionic bilayer is compared with the interaction in bilayers containing different levels of anionic 'decoy' lipids. BD simulations reveal both translational and orientational electrostatic steering of the PH domain towards the PI(3,4,5P₃-containing anionic bilayer surface. There is a payoff between non-PIP anionic lipids attracting the PH domain to the bilayer surface in a favourable orientation and their role as 'decoys', disrupting the interaction of GRP1-PH with the PI(3,4,5P₃ molecule. Significantly, approximately 20% anionic lipid in the cytoplasmic leaflet of the bilayer is nearly optimal to both enhance orientational steering and to localise GRP1-PH proximal to the surface of the membrane without sacrificing its ability to locate PI(3,4,5P₃ within the bilayer plane. Subsequent MD simulations reveal binding to PI(3,4,5P₃, forming protein-phosphate contacts comparable to those in X-ray structures. These studies demonstrate a computational framework which addresses lipid recognition within a cell membrane environment, offering a link between structural and cell biological characterisation.

  14. Boiling water reactor simulator. Workshop material

    International Nuclear Information System (INIS)

    2003-01-01

    The International Atomic Energy Agency (IAEA) has established an activity in nuclear reactor simulation computer programs to assist its Member States in education. The objective is to provide, for a variety of advanced reactor types, insight and practice in their operational characteristics and their response to perturbations and accident situations. To achieve this, the IAEA arranges for the development and distribution of simulation programs and workshop material and sponsors workshops. The workshops are in two parts: techniques and tools for reactor simulator development; and the use of reactor simulators in education. Workshop material for the first part is covered in the IAEA publication: Training Course Series No. 12, 'Reactor Simulator Development' (2001). Course material for workshops using a WWER- 1000 simulator from the Moscow Engineering and Physics Institute, Russian Federation is presented in the IAEA publication: Training Course Series No. 21 'WWER-1000 Reactor Simulator' (2002). Course material for workshops using a pressurized water reactor (PWR) simulator developed by Cassiopeia Technologies Incorporated, Canada, is presented in the IAEA publication: Training Course Series No. 22 'Pressurized Water Reactor Simulator' (2003). This report consists of course material for workshops using a boiling water reactor (BWR) simulator. Cassiopeia Technologies Incorporated, developed the simulator and prepared this report for the IAEA

  15. Nonlinear time-domain cochlear model for transient stimulation and human otoacoustic emission

    DEFF Research Database (Denmark)

    Verhulst, Sarah; Dau, Torsten; Shera, Christopher A.

    2012-01-01

    This paper describes the implementation and performance of a nonlinear time-domain model of the cochlea for transient stimulation and human otoacoustic emission generation. The nonlinearity simulates compressive growth of measured basilar-membrane impulse responses. The model accounts...... for reflection and distortion-source otoacoustic emissions (OAEs) and simulates spontaneous OAEs through manipulation of the middle-ear reflectance. The model was calibrated using human psychoacoustical and otoacoustic tuning parameters. It can be used to investigate time-dependent properties of cochlear...

  16. SimulaTE: simulating complex landscapes of transposable elements of populations.

    Science.gov (United States)

    Kofler, Robert

    2018-04-15

    Estimating the abundance of transposable elements (TEs) in populations (or tissues) promises to answer many open research questions. However, progress is hampered by the lack of concordance between different approaches for TE identification and thus potentially unreliable results. To address this problem, we developed SimulaTE a tool that generates TE landscapes for populations using a newly developed domain specific language (DSL). The simple syntax of our DSL allows for easily building even complex TE landscapes that have, for example, nested, truncated and highly diverged TE insertions. Reads may be simulated for the populations using different sequencing technologies (PacBio, Illumina paired-ends) and strategies (sequencing individuals and pooled populations). The comparison between the expected (i.e. simulated) and the observed results will guide researchers in finding the most suitable approach for a particular research question. SimulaTE is implemented in Python and available at https://sourceforge.net/projects/simulates/. Manual https://sourceforge.net/p/simulates/wiki/Home/#manual; Test data and tutorials https://sourceforge.net/p/simulates/wiki/Home/#walkthrough; Validation https://sourceforge.net/p/simulates/wiki/Home/#validation. robert.kofler@vetmeduni.ac.at.

  17. An international effort to compare gas hydrate reservoir simulators

    Energy Technology Data Exchange (ETDEWEB)

    Wilder, J.W. [Akron Univ., Akron, OH (United States). Dept. of Theoretical and Applied Math; Moridis, G.J. [California Univ., Berkely, CA (United States). Earth Sciences Div., Lawrence Berkely National Lab.; Wilson, S.J. [Ryder Scott Co., Denver, CO (United States); Kurihara, M. [Japan Oil Engineering Co. Ltd., Tokyo (Japan); White, M.D. [Pacific Northwest National Laboratory Hydrology Group, Richland, WA (United States); Masuda, Y. [Tokyo Univ., Tokyo (Japan). Dept. of Geosystem Engineering; Anderson, B.J. [National Energy Technology Lab., Morgantown, WV (United States)]|[West Virginia Univ., Morgantown, WV (United States). Dept. of Chemical Engineering; Collett, T.S. [United States Geological Survey, Denver, CO (United States); Hunter, R.B. [ASRC Energy Services, Anchorage, AK (United States); Narita, H. [National Inst. of Advanced Industrial Science and Technology, MEthane hydrate Research Lab., Sapporo (Japan); Pooladi-Darvish, M. [Fekete Associates Inc., Calgary, AB (Canada); Rose, K.; Boswell, R. [National Energy Technology Lab., Morgantown, WV (United States)

    2008-07-01

    In this study, 5 different gas hydrate production scenarios were modeled by the CMG STARS, HydateResSim, MH-21 HYDRES, STOMP-HYD and the TOUGH+HYDRATE reservoir simulators for comparative purposes. The 5 problems ranged in complexity from 1 to 3 dimensional with radial symmetry, and in horizontal dimensions of 20 meters to 1 kilometer. The scenarios included (1) a base case with non-isothermal multi-fluid transition to equilibrium, (2) a base case with gas hydrate (closed-domain hydrate dissociation), (3) dissociation in a 1-D open domain, (4) gas hydrate dissociation in a one-dimensional radial domain, similarity solutions, (5) gas hydrate dissociation in a two-dimensional radial domain. The purpose of the study was to compare the world's leading gas hydrate reservoir simulators in an effort to improve the simulation capability of experimental and naturally occurring gas hydrate accumulations. The problem description and simulation results were presented for each scenario. The results of the first scenario indicated very close agreement among the simulators, suggesting that all address the basics of mass and heat transfer, as well as overall process of gas hydrate dissociation. The third scenario produced the initial divergence among the simulators. Other differences were noted in both scenario 4 and 5, resulting in significant corrections to algorithms within several of the simulators. The authors noted that it is unlikely that these improvements would have been identified without this comparative study due to a lack of real world data for validation purposes. It was concluded that the solution for gas hydrate production involves a combination of highly coupled fluid, heat and mass transport equations combined with the potential for formation or disappearance of multiple solid phases in the system. The physical and chemical properties of the rocks containing the gas hydrate depend on the amount of gas hydrate present in the system. Each modeling and

  18. Virtual network embedding in cross-domain network based on topology and resource attributes

    Science.gov (United States)

    Zhu, Lei; Zhang, Zhizhong; Feng, Linlin; Liu, Lilan

    2018-03-01

    Aiming at the network architecture ossification and the diversity of access technologies issues, this paper researches the cross-domain virtual network embedding algorithm. By analysing the topological attribute from the local and global perspective of nodes in the virtual network and the physical network, combined with the local network resource property, we rank the embedding priority of the nodes with PCA and TOPSIS methods. Besides, the link load distribution is considered. Above all, We proposed an cross-domain virtual network embedding algorithm based on topology and resource attributes. The simulation results depicts that our algorithm increases the acceptance rate of multi-domain virtual network requests, compared with the existing virtual network embedding algorithm.

  19. A domain specific language for performance portable molecular dynamics algorithms

    Science.gov (United States)

    Saunders, William Robert; Grant, James; Müller, Eike Hermann

    2018-03-01

    Developers of Molecular Dynamics (MD) codes face significant challenges when adapting existing simulation packages to new hardware. In a continuously diversifying hardware landscape it becomes increasingly difficult for scientists to be experts both in their own domain (physics/chemistry/biology) and specialists in the low level parallelisation and optimisation of their codes. To address this challenge, we describe a "Separation of Concerns" approach for the development of parallel and optimised MD codes: the science specialist writes code at a high abstraction level in a domain specific language (DSL), which is then translated into efficient computer code by a scientific programmer. In a related context, an abstraction for the solution of partial differential equations with grid based methods has recently been implemented in the (Py)OP2 library. Inspired by this approach, we develop a Python code generation system for molecular dynamics simulations on different parallel architectures, including massively parallel distributed memory systems and GPUs. We demonstrate the efficiency of the auto-generated code by studying its performance and scalability on different hardware and compare it to other state-of-the-art simulation packages. With growing data volumes the extraction of physically meaningful information from the simulation becomes increasingly challenging and requires equally efficient implementations. A particular advantage of our approach is the easy expression of such analysis algorithms. We consider two popular methods for deducing the crystalline structure of a material from the local environment of each atom, show how they can be expressed in our abstraction and implement them in the code generation framework.

  20. Modelling and Simulation for Requirements Engineering and Options Analysis

    Science.gov (United States)

    2010-05-01

    should be performed to work successfully in the domain; and process-based techniques model the processes that occur in the work domain. There is a crisp ...acad/sed/sedres/ dm /erg/cwa. DRDC Toronto CR 2010-049 39 23. Can the current technique for developing simulation models for assessments

  1. A Methodology for the Design of Application-Specific Cyber-Physical Social Sensing Co-Simulators.

    Science.gov (United States)

    Sánchez, Borja Bordel; Alcarria, Ramón; Sánchez-Picot, Álvaro; Sánchez-de-Rivera, Diego

    2017-09-22

    Cyber-Physical Social Sensing (CPSS) is a new trend in the context of pervasive sensing. In these new systems, various domains coexist in time, evolve together and influence each other. Thus, application-specific tools are necessary for specifying and validating designs and simulating systems. However, nowadays, different tools are employed to simulate each domain independently. Mainly, the cause of the lack of co-simulation instruments to simulate all domains together is the extreme difficulty of combining and synchronizing various tools. In order to reduce that difficulty, an adequate architecture for the final co-simulator must be selected. Therefore, in this paper the authors investigate and propose a methodology for the design of CPSS co-simulation tools. The paper describes the four steps that software architects should follow in order to design the most adequate co-simulator for a certain application, considering the final users' needs and requirements and various additional factors such as the development team's experience. Moreover, the first practical use case of the proposed methodology is provided. An experimental validation is also included in order to evaluate the performing of the proposed co-simulator and to determine the correctness of the proposal.

  2. A Methodology for the Design of Application-Specific Cyber-Physical Social Sensing Co-Simulators

    Directory of Open Access Journals (Sweden)

    Borja Bordel Sánchez

    2017-09-01

    Full Text Available Cyber-Physical Social Sensing (CPSS is a new trend in the context of pervasive sensing. In these new systems, various domains coexist in time, evolve together and influence each other. Thus, application-specific tools are necessary for specifying and validating designs and simulating systems. However, nowadays, different tools are employed to simulate each domain independently. Mainly, the cause of the lack of co-simulation instruments to simulate all domains together is the extreme difficulty of combining and synchronizing various tools. In order to reduce that difficulty, an adequate architecture for the final co-simulator must be selected. Therefore, in this paper the authors investigate and propose a methodology for the design of CPSS co-simulation tools. The paper describes the four steps that software architects should follow in order to design the most adequate co-simulator for a certain application, considering the final users’ needs and requirements and various additional factors such as the development team’s experience. Moreover, the first practical use case of the proposed methodology is provided. An experimental validation is also included in order to evaluate the performing of the proposed co-simulator and to determine the correctness of the proposal.

  3. Domain Engineering

    Science.gov (United States)

    Bjørner, Dines

    Before software can be designed we must know its requirements. Before requirements can be expressed we must understand the domain. So it follows, from our dogma, that we must first establish precise descriptions of domains; then, from such descriptions, “derive” at least domain and interface requirements; and from those and machine requirements design the software, or, more generally, the computing systems.

  4. How do Analogizing and Mental Simulation Influence Team Dynamics in Innovative Product Design?

    DEFF Research Database (Denmark)

    Casakin, Hernan; Ball, Linden J.; Christensen, Bo T.

    2015-01-01

    association with team cohesion, whereas solution generation and function finding had a stronger association with team collaboration. We propose that analogizing and mental simulations are strategies that serve valuable functions in engendering enhanced cohesion and collaboration, which might be expected...... and team collaboration. Analogies were coded for “analogical distance” (i.e., within domain or between domain) and “analogical purpose” (i.e., problem identification, function finding, solution generation, and explanation). The results indicated that the presence of either analogizing or mental simulation...... was related to team cohesion and team collaboration, with mental simulation having an especially marked association with team collaboration. Within-domain analogizing was found to enhance team collaboration, but it did not influence team cohesion. Furthermore, all types of analogical purpose showed a similar...

  5. Simulation of the respiratory model of tract of Publication 66 of the ICRP and their use in biological analysis

    International Nuclear Information System (INIS)

    Puerta, A.

    2001-01-01

    The International Commission Radiological Protection, ICRP in its publications 67, 68, 69 and 71 provides the loss of systematic activity of the radioactive materials by the routes of excretion and recirculation, as well as effective dose by incorporation unit coefficient, using the model of respiratory tract proposed by the ICRP, in its Publication 66, but it does not provide information on as these models in biological analysis are used. There are some specific studies for inhalation of uranium compounds made by Bertelli and collaborators using the new model of the lung. In this work it have been done a simulation of the model of respiratory tract of ICRP 66 of such form that it can be used in-vitro and in-vivo biological analysis. In order to verify the simulation were used systemic models for adult of planuin, lead, uranium, bismuth and their respective descendants and the comparison with the coefficients of dose provided by the ICRP. Finally, it shows the estimation of the temporary distribution of activity in devices and the excrete of these radionuclides and in addition the model for gases and steam in the conditions is verified that the ICRP proposes

  6. Structural elucidation of transmembrane domain zero (TMD0) of EcdL: A multidrug resistance-associated protein (MRP) family of ATP-binding cassette transporter protein revealed by atomistic simulation.

    Science.gov (United States)

    Bera, Krishnendu; Rani, Priyanka; Kishor, Gaurav; Agarwal, Shikha; Kumar, Antresh; Singh, Durg Vijay

    2017-09-20

    ATP-Binding cassette (ABC) transporters play an extensive role in the translocation of diverse sets of biologically important molecules across membrane. EchnocandinB (antifungal) and EcdL protein of Aspergillus rugulosus are encoded by the same cluster of genes. Co-expression of EcdL and echinocandinB reflects tightly linked biological functions. EcdL belongs to Multidrug Resistance associated Protein (MRP) subfamily of ABC transporters with an extra transmembrane domain zero (TMD0). Complete structure of MRP subfamily comprising of TMD0 domain, at atomic resolution is not known. We hypothesized that the transportation of echonocandinB is mediated via EcdL protein. Henceforth, it is pertinent to know the topological arrangement of TMD0, with other domains of protein and its possible role in transportation of echinocandinB. Absence of effective template for TMD0 domain lead us to model by I-TASSER, further structure has been refined by multiple template modelling using homologous templates of remaining domains (TMD1, NBD1, TMD2, NBD2). The modelled structure has been validated for packing, folding and stereochemical properties. MD simulation for 0.1 μs has been carried out in the biphasic environment for refinement of modelled protein. Non-redundant structures have been excavated by clustering of MD trajectory. The structural alignment of modelled structure has shown Z-score -37.9; 31.6, 31.5 with RMSD; 2.4, 4.2, 4.8 with ABC transporters; PDB ID 4F4C, 4M1 M, 4M2T, respectively, reflecting the correctness of structure. EchinocandinB has been docked to the modelled as well as to the clustered structures, which reveals interaction of echinocandinB with TMD0 and other TM helices in the translocation path build of TMDs.

  7. A protein domain interaction interface database: InterPare

    Directory of Open Access Journals (Sweden)

    Lee Jungsul

    2005-08-01

    Full Text Available Abstract Background Most proteins function by interacting with other molecules. Their interaction interfaces are highly conserved throughout evolution to avoid undesirable interactions that lead to fatal disorders in cells. Rational drug discovery includes computational methods to identify the interaction sites of lead compounds to the target molecules. Identifying and classifying protein interaction interfaces on a large scale can help researchers discover drug targets more efficiently. Description We introduce a large-scale protein domain interaction interface database called InterPare http://interpare.net. It contains both inter-chain (between chains interfaces and intra-chain (within chain interfaces. InterPare uses three methods to detect interfaces: 1 the geometric distance method for checking the distance between atoms that belong to different domains, 2 Accessible Surface Area (ASA, a method for detecting the buried region of a protein that is detached from a solvent when forming multimers or complexes, and 3 the Voronoi diagram, a computational geometry method that uses a mathematical definition of interface regions. InterPare includes visualization tools to display protein interior, surface, and interaction interfaces. It also provides statistics such as the amino acid propensities of queried protein according to its interior, surface, and interface region. The atom coordinates that belong to interface, surface, and interior regions can be downloaded from the website. Conclusion InterPare is an open and public database server for protein interaction interface information. It contains the large-scale interface data for proteins whose 3D-structures are known. As of November 2004, there were 10,583 (Geometric distance, 10,431 (ASA, and 11,010 (Voronoi diagram entries in the Protein Data Bank (PDB containing interfaces, according to the above three methods. In the case of the geometric distance method, there are 31,620 inter-chain domain-domain

  8. Wavelet Domain Radiofrequency Pulse Design Applied to Magnetic Resonance Imaging.

    Directory of Open Access Journals (Sweden)

    Andrew M Huettner

    Full Text Available A new method for designing radiofrequency (RF pulses with numerical optimization in the wavelet domain is presented. Numerical optimization may yield solutions that might otherwise have not been discovered with analytic techniques alone. Further, processing in the wavelet domain reduces the number of unknowns through compression properties inherent in wavelet transforms, providing a more tractable optimization problem. This algorithm is demonstrated with simultaneous multi-slice (SMS spin echo refocusing pulses because reduced peak RF power is necessary for SMS diffusion imaging with high acceleration factors. An iterative, nonlinear, constrained numerical minimization algorithm was developed to generate an optimized RF pulse waveform. Wavelet domain coefficients were modulated while iteratively running a Bloch equation simulator to generate the intermediate slice profile of the net magnetization. The algorithm minimizes the L2-norm of the slice profile with additional terms to penalize rejection band ripple and maximize the net transverse magnetization across each slice. Simulations and human brain imaging were used to demonstrate a new RF pulse design that yields an optimized slice profile and reduced peak energy deposition when applied to a multiband single-shot echo planar diffusion acquisition. This method may be used to optimize factors such as magnitude and phase spectral profiles and peak RF pulse power for multiband simultaneous multi-slice (SMS acquisitions. Wavelet-based RF pulse optimization provides a useful design method to achieve a pulse waveform with beneficial amplitude reduction while preserving appropriate magnetization response for magnetic resonance imaging.

  9. A two-domain elevator mechanism for sodium/proton antiport.

    Science.gov (United States)

    Lee, Chiara; Kang, Hae Joo; von Ballmoos, Christoph; Newstead, Simon; Uzdavinys, Povilas; Dotson, David L; Iwata, So; Beckstein, Oliver; Cameron, Alexander D; Drew, David

    2013-09-26

    Sodium/proton (Na(+)/H(+)) antiporters, located at the plasma membrane in every cell, are vital for cell homeostasis. In humans, their dysfunction has been linked to diseases, such as hypertension, heart failure and epilepsy, and they are well-established drug targets. The best understood model system for Na(+)/H(+) antiport is NhaA from Escherichia coli, for which both electron microscopy and crystal structures are available. NhaA is made up of two distinct domains: a core domain and a dimerization domain. In the NhaA crystal structure a cavity is located between the two domains, providing access to the ion-binding site from the inward-facing surface of the protein. Like many Na(+)/H(+) antiporters, the activity of NhaA is regulated by pH, only becoming active above pH 6.5, at which point a conformational change is thought to occur. The only reported NhaA crystal structure so far is of the low pH inactivated form. Here we describe the active-state structure of a Na(+)/H(+) antiporter, NapA from Thermus thermophilus, at 3 Å resolution, solved from crystals grown at pH 7.8. In the NapA structure, the core and dimerization domains are in different positions to those seen in NhaA, and a negatively charged cavity has now opened to the outside. The extracellular cavity allows access to a strictly conserved aspartate residue thought to coordinate ion binding directly, a role supported here by molecular dynamics simulations. To alternate access to this ion-binding site, however, requires a surprisingly large rotation of the core domain, some 20° against the dimerization interface. We conclude that despite their fast transport rates of up to 1,500 ions per second, Na(+)/H(+) antiporters operate by a two-domain rocking bundle model, revealing themes relevant to secondary-active transporters in general.

  10. Extended-Range High-Resolution Dynamical Downscaling over a Continental-Scale Domain

    Science.gov (United States)

    Husain, S. Z.; Separovic, L.; Yu, W.; Fernig, D.

    2014-12-01

    High-resolution mesoscale simulations, when applied for downscaling meteorological fields over large spatial domains and for extended time periods, can provide valuable information for many practical application scenarios including the weather-dependent renewable energy industry. In the present study, a strategy has been proposed to dynamically downscale coarse-resolution meteorological fields from Environment Canada's regional analyses for a period of multiple years over the entire Canadian territory. The study demonstrates that a continuous mesoscale simulation over the entire domain is the most suitable approach in this regard. Large-scale deviations in the different meteorological fields pose the biggest challenge for extended-range simulations over continental scale domains, and the enforcement of the lateral boundary conditions is not sufficient to restrict such deviations. A scheme has therefore been developed to spectrally nudge the simulated high-resolution meteorological fields at the different model vertical levels towards those embedded in the coarse-resolution driving fields derived from the regional analyses. A series of experiments were carried out to determine the optimal nudging strategy including the appropriate nudging length scales, nudging vertical profile and temporal relaxation. A forcing strategy based on grid nudging of the different surface fields, including surface temperature, soil-moisture, and snow conditions, towards their expected values obtained from a high-resolution offline surface scheme was also devised to limit any considerable deviation in the evolving surface fields due to extended-range temporal integrations. The study shows that ensuring large-scale atmospheric similarities helps to deliver near-surface statistical scores for temperature, dew point temperature and horizontal wind speed that are better or comparable to the operational regional forecasts issued by Environment Canada. Furthermore, the meteorological fields

  11. Unique structure and dynamics of the EphA5 ligand binding domain mediate its binding specificity as revealed by X-ray crystallography, NMR and MD simulations.

    Directory of Open Access Journals (Sweden)

    Xuelu Huan

    Full Text Available The 16 EphA and EphB receptors represent the largest family of receptor tyrosine kinases, and their interactions with 9 ephrin-A and ephrin-B ligands initiate bidirectional signals controlling many physiological and pathological processes. Most interactions occur between receptor and ephrins of the same class, and only EphA4 can bind all A and B ephrins. To understand the structural and dynamic principles that enable Eph receptors to utilize the same jellyroll β-sandwich fold to bind ephrins, the VAPB-MSP domain, peptides and small molecules, we have used crystallography, NMR and molecular dynamics (MD simulations to determine the first structure and dynamics of the EphA5 ligand-binding domain (LBD, which only binds ephrin-A ligands. Unexpectedly, despite being unbound, the high affinity ephrin-binding pocket of EphA5 resembles that of other Eph receptors bound to ephrins, with a helical conformation over the J-K loop and an open pocket. The openness of the pocket is further supported by NMR hydrogen/deuterium exchange data and MD simulations. Additionally, the EphA5 LBD undergoes significant picosecond-nanosecond conformational exchanges over the loops, as revealed by NMR and MD simulations, but lacks global conformational exchanges on the microsecond-millisecond time scale. This is markedly different from the EphA4 LBD, which shares 74% sequence identity and 87% homology. Consequently, the unbound EphA5 LBD appears to comprise an ensemble of open conformations that have only small variations over the loops and appear ready to bind ephrin-A ligands. These findings show how two proteins with high sequence homology and structural similarity are still able to achieve distinctive binding specificities through different dynamics, which may represent a general mechanism whereby the same protein fold can serve for different functions. Our findings also suggest that a promising strategy to design agonists/antagonists with high affinity and selectivity

  12. Simulated BRDF based on measured surface topography of metal

    Science.gov (United States)

    Yang, Haiyue; Haist, Tobias; Gronle, Marc; Osten, Wolfgang

    2017-06-01

    The radiative reflective properties of a calibration standard rough surface were simulated by ray tracing and the Finite-difference time-domain (FDTD) method. The simulation results have been used to compute the reflectance distribution functions (BRDF) of metal surfaces and have been compared with experimental measurements. The experimental and simulated results are in good agreement.

  13. New one-flavor hybrid Monte Carlo simulation method for lattice fermions with γ5 hermiticity

    International Nuclear Information System (INIS)

    Ogawa, Kenji

    2011-01-01

    We propose a new method for Hybrid Monte Carlo (HMC) simulations with odd numbers of dynamical fermions on the lattice. It employs a different approach from polynomial or rational HMC. In this method, γ 5 hermiticity of the lattice Dirac operators is crucial and it can be applied to Wilson, domain-wall, and overlap fermions. We compare HMC simulations with two degenerate flavors and (1+1) degenerate flavors using optimal domain-wall fermions. The ratio of the efficiency, (number of accepted trajectories)/(simulation time), is about 3:2. The relation between pseudofermion action of chirally symmetric lattice fermions in four-dimensional (overlap) and five-dimensional (domain-wall) representation are also analyzed.

  14. Testing for Granger Causality in the Frequency Domain: A Phase Resampling Method.

    Science.gov (United States)

    Liu, Siwei; Molenaar, Peter

    2016-01-01

    This article introduces phase resampling, an existing but rarely used surrogate data method for making statistical inferences of Granger causality in frequency domain time series analysis. Granger causality testing is essential for establishing causal relations among variables in multivariate dynamic processes. However, testing for Granger causality in the frequency domain is challenging due to the nonlinear relation between frequency domain measures (e.g., partial directed coherence, generalized partial directed coherence) and time domain data. Through a simulation study, we demonstrate that phase resampling is a general and robust method for making statistical inferences even with short time series. With Gaussian data, phase resampling yields satisfactory type I and type II error rates in all but one condition we examine: when a small effect size is combined with an insufficient number of data points. Violations of normality lead to slightly higher error rates but are mostly within acceptable ranges. We illustrate the utility of phase resampling with two empirical examples involving multivariate electroencephalography (EEG) and skin conductance data.

  15. Micromagnetic simulations of cylindrical magnetic nanowires

    KAUST Repository

    Ivanov, Yurii P.; Chubykalo-Fesenko, O.

    2015-01-01

    This chapter reviews micromagnetic simulations of cylindrical magnetic nanowires and their ordered arrays. It starts with a description of the theoretical background of micromagnetism. The chapter discusses main magnetization reversal modes, domain

  16. Quantifying Uncertainty from Computational Factors in Simulations of a Model Ballistic System

    Science.gov (United States)

    2017-08-01

    related to the numerical structuring of a problem, such as cell size, domain extent, and system orientation. Depth of penetration of a threat into a... system in the simulation codes is tied to the domain structure , with coordinate axes aligned with cell edges. However, the position of the coordinate...physical systems are generally described by sets of equations involving continuous variables, such as time and position. Computational simulations

  17. Building credibility in public studies: Lessons learned from the Hanford environmental Dose Reconstruction project may apply to all public studies

    International Nuclear Information System (INIS)

    Till, J.E.

    1995-01-01

    This article describes the process by which the author came to recognize the importance of openness to the public in environmental studies, during the Hanford Environmental Dose Reconstruction Project. Using the Dose reconstruction public involvement, the article goes on to describe a general guide to the construction of a new, positive framework for conducting future public studies. The steps include the following: putting the public in the study; building credibility into a public study (1 -search for proof in historical records; 2-define the domain and the exposed population; 3-characterize the material released; 4-identify key materials, pathways and receptors; 5-encouraging public participation; 6 -explaining the meaning of the results) and reconciling scientific and public issues

  18. Building credibility in public studies: Lessons learned from the Hanford environmental Dose Reconstruction project may apply to all public studies

    Energy Technology Data Exchange (ETDEWEB)

    Till, J.E. [Radiological Assessment Corp., Neeses, SC (United States)

    1995-09-01

    This article describes the process by which the author came to recognize the importance of openness to the public in environmental studies, during the Hanford Environmental Dose Reconstruction Project. Using the Dose reconstruction public involvement, the article goes on to describe a general guide to the construction of a new, positive framework for conducting future public studies. The steps include the following: putting the public in the study; building credibility into a public study (1 -search for proof in historical records; 2-define the domain and the exposed population; 3-characterize the material released; 4-identify key materials, pathways and receptors; 5-encouraging public participation; 6 -explaining the meaning of the results) and reconciling scientific and public issues.

  19. Framing Effects: Dynamics and Task Domains

    Science.gov (United States)

    Wang

    1996-11-01

    The author examines the mechanisms and dynamics of framing effects in risky choices across three distinct task domains (i.e., life-death, public property, and personal money). The choice outcomes of the problems presented in each of the three task domains had a binary structure of a sure thing vs a gamble of equal expected value; the outcomes differed in their framing conditions and the expected values, raging from 6000, 600, 60, to 6, numerically. It was hypothesized that subjects would become more risk seeking, if the sure outcome was below their aspiration level (the minimum requirement). As predicted, more subjects preferred the gamble when facing the life-death choice problems than facing the counterpart problems presented in the other two task domains. Subjects' risk preference varied categorically along the group size dimension in the life-death domain but changed more linearly over the expected value dimension in the monetary domain. Framing effects were observed in 7 of 13 pairs of problems, showing a positive frame-risk aversion and negative frame-risk seeking relationship. In addition, two types of framing effects were theoretically defined and empirically identified. A bidirectional framing effect involves a reversal in risk preference, and occurs when a decision maker's risk preference is ambiguous or weak. Four bidirectional effects were observed; in each case a majority of subjects preferred the sure outcome under a positive frame but the gamble under a negative frame. In contrast, a unidirectional framing effect refers to a preference shift due to the framing of choice outcomes: A majority of subjects preferred one choice outcome (either the sure thing or the gamble) under both framing conditions, with positive frame augmented the preference for the sure thing and negative frame augmented the preference for the gamble. These findings revealed some dynamic regularities of framing effects and posed implications for developing predictive and testable

  20. The Numerical Simulation of the Nanosecond Switching of a p-SOS Diode

    Science.gov (United States)

    Podolska, N. I.; Lyublinskiy, A. G.; Grekhov, I. V.

    2017-12-01

    Abrupt high-density reverse current interruption has been numerically simulated for switching from forward to reverse bias in a silicon p + P 0 n + structure ( p-SOS diode). It has been shown that the current interruption in this structure occurs as a result of the formation of two dynamic domains of a strong electric field in regions in which the free carrier concentration substantially exceeds the concentration of the doping impurity. The first domain is formed in the n + region at the n + P 0 junction, while the second domain is formed in the P 0 region at the interface with the p + layer. The second domain expands much faster, and this domain mainly determines the current interruption rate. Good agreement is achieved between the simulation results and the experimental data when the actual electric circuit determining the electron-hole plasma pumping in and out is accurately taken into account.