WorldWideScience

Sample records for grid-based force field

  1. Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules

    International Nuclear Information System (INIS)

    Mereghetti, Paolo; Martinez, Michael; Wade, Rebecca C

    2014-01-01

    Brownian dynamics (BD) simulations can be used to study very large molecular systems, such as models of the intracellular environment, using atomic-detail structures. Such simulations require strategies to contain the computational costs, especially for the computation of interaction forces and energies. A common approach is to compute interaction forces between macromolecules by precomputing their interaction potentials on three-dimensional discretized grids. For long-range interactions, such as electrostatics, grid-based methods are subject to finite size errors. We describe here the implementation of a Debye-Hückel correction to the grid-based electrostatic potential used in the SDA BD simulation software that was applied to simulate solutions of bovine serum albumin and of hen egg white lysozyme. We found that the inclusion of the long-range electrostatic correction increased the accuracy of both the protein-protein interaction profiles and the protein diffusion coefficients at low ionic strength. An advantage of this method is the low additional computational cost required to treat long-range electrostatic interactions in large biomacromolecular systems. Moreover, the implementation described here for BD simulations of protein solutions can also be applied in implicit solvent molecular dynamics simulations that make use of gridded interaction potentials

  2. Silicon-based metallic micro grid for electron field emission

    International Nuclear Information System (INIS)

    Kim, Jaehong; Jeon, Seok-Gy; Kim, Jung-Il; Kim, Geun-Ju; Heo, Duchang; Shin, Dong Hoon; Sun, Yuning; Lee, Cheol Jin

    2012-01-01

    A micro-scale metal grid based on a silicon frame for application to electron field emission devices is introduced and experimentally demonstrated. A silicon lattice containing aperture holes with an area of 80 × 80 µm 2 and a thickness of 10 µm is precisely manufactured by dry etching the silicon on one side of a double-polished silicon wafer and by wet etching the opposite side. Because a silicon lattice is more rigid than a pure metal lattice, a thin layer of Au/Ti deposited on the silicon lattice for voltage application can be more resistant to the geometric stress caused by the applied electric field. The micro-fabrication process, the images of the fabricated grid with 88% geometric transparency and the surface profile measurement after thermal feasibility testing up to 700 °C are presented. (paper)

  3. A NEW CODE FOR NONLINEAR FORCE-FREE FIELD EXTRAPOLATION OF THE GLOBAL CORONA

    International Nuclear Information System (INIS)

    Jiang Chaowei; Feng Xueshang; Xiang Changqing

    2012-01-01

    Reliable measurements of the solar magnetic field are still restricted to the photosphere, and our present knowledge of the three-dimensional coronal magnetic field is largely based on extrapolations from photospheric magnetograms using physical models, e.g., the nonlinear force-free field (NLFFF) model that is usually adopted. Most of the currently available NLFFF codes have been developed with computational volume such as a Cartesian box or a spherical wedge, while a global full-sphere extrapolation is still under development. A high-performance global extrapolation code is in particular urgently needed considering that the Solar Dynamics Observatory can provide a full-disk magnetogram with resolution up to 4096 × 4096. In this work, we present a new parallelized code for global NLFFF extrapolation with the photosphere magnetogram as input. The method is based on the magnetohydrodynamics relaxation approach, the CESE-MHD numerical scheme, and a Yin-Yang spherical grid that is used to overcome the polar problems of the standard spherical grid. The code is validated by two full-sphere force-free solutions from Low and Lou's semi-analytic force-free field model. The code shows high accuracy and fast convergence, and can be ready for future practical application if combined with an adaptive mesh refinement technique.

  4. Recent Developments in Grid Generation and Force Integration Technology for Overset Grids

    Science.gov (United States)

    Chan, William M.; VanDalsem, William R. (Technical Monitor)

    1994-01-01

    Recent developments in algorithms and software tools for generating overset grids for complex configurations are described. These include the overset surface grid generation code SURGRD and version 2.0 of the hyperbolic volume grid generation code HYPGEN. The SURGRD code is in beta test mode where the new features include the capability to march over a collection of panel networks, a variety of ways to control the side boundaries and the marching step sizes and distance, a more robust projection scheme and an interpolation option. New features in version 2.0 of HYPGEN include a wider range of boundary condition types. The code also allows the user to specify different marching step sizes and distance for each point on the surface grid. A scheme that takes into account of the overlapped zones on the body surface for the purpose of forces and moments computation is also briefly described, The process involves the following two software modules: MIXSUR - a composite grid generation module to produce a collection of quadrilaterals and triangles on which pressure and viscous stresses are to be integrated, and OVERINT - a forces and moments integration module.

  5. GRID-BASED EXPLORATION OF COSMOLOGICAL PARAMETER SPACE WITH SNAKE

    International Nuclear Information System (INIS)

    Mikkelsen, K.; Næss, S. K.; Eriksen, H. K.

    2013-01-01

    We present a fully parallelized grid-based parameter estimation algorithm for investigating multidimensional likelihoods called Snake, and apply it to cosmological parameter estimation. The basic idea is to map out the likelihood grid-cell by grid-cell according to decreasing likelihood, and stop when a certain threshold has been reached. This approach improves vastly on the 'curse of dimensionality' problem plaguing standard grid-based parameter estimation simply by disregarding grid cells with negligible likelihood. The main advantages of this method compared to standard Metropolis-Hastings Markov Chain Monte Carlo methods include (1) trivial extraction of arbitrary conditional distributions; (2) direct access to Bayesian evidences; (3) better sampling of the tails of the distribution; and (4) nearly perfect parallelization scaling. The main disadvantage is, as in the case of brute-force grid-based evaluation, a dependency on the number of parameters, N par . One of the main goals of the present paper is to determine how large N par can be, while still maintaining reasonable computational efficiency; we find that N par = 12 is well within the capabilities of the method. The performance of the code is tested by comparing cosmological parameters estimated using Snake and the WMAP-7 data with those obtained using CosmoMC, the current standard code in the field. We find fully consistent results, with similar computational expenses, but shorter wall time due to the perfect parallelization scheme

  6. GRID-BASED EXPLORATION OF COSMOLOGICAL PARAMETER SPACE WITH SNAKE

    Energy Technology Data Exchange (ETDEWEB)

    Mikkelsen, K.; Næss, S. K.; Eriksen, H. K., E-mail: kristin.mikkelsen@astro.uio.no [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029, Blindern, NO-0315 Oslo (Norway)

    2013-11-10

    We present a fully parallelized grid-based parameter estimation algorithm for investigating multidimensional likelihoods called Snake, and apply it to cosmological parameter estimation. The basic idea is to map out the likelihood grid-cell by grid-cell according to decreasing likelihood, and stop when a certain threshold has been reached. This approach improves vastly on the 'curse of dimensionality' problem plaguing standard grid-based parameter estimation simply by disregarding grid cells with negligible likelihood. The main advantages of this method compared to standard Metropolis-Hastings Markov Chain Monte Carlo methods include (1) trivial extraction of arbitrary conditional distributions; (2) direct access to Bayesian evidences; (3) better sampling of the tails of the distribution; and (4) nearly perfect parallelization scaling. The main disadvantage is, as in the case of brute-force grid-based evaluation, a dependency on the number of parameters, N{sub par}. One of the main goals of the present paper is to determine how large N{sub par} can be, while still maintaining reasonable computational efficiency; we find that N{sub par} = 12 is well within the capabilities of the method. The performance of the code is tested by comparing cosmological parameters estimated using Snake and the WMAP-7 data with those obtained using CosmoMC, the current standard code in the field. We find fully consistent results, with similar computational expenses, but shorter wall time due to the perfect parallelization scheme.

  7. Small-mammal density estimation: A field comparison of grid-based vs. web-based density estimators

    Science.gov (United States)

    Parmenter, R.R.; Yates, Terry L.; Anderson, D.R.; Burnham, K.P.; Dunnum, J.L.; Franklin, A.B.; Friggens, M.T.; Lubow, B.C.; Miller, M.; Olson, G.S.; Parmenter, Cheryl A.; Pollard, J.; Rexstad, E.; Shenk, T.M.; Stanley, T.R.; White, Gary C.

    2003-01-01

    Statistical models for estimating absolute densities of field populations of animals have been widely used over the last century in both scientific studies and wildlife management programs. To date, two general classes of density estimation models have been developed: models that use data sets from capture–recapture or removal sampling techniques (often derived from trapping grids) from which separate estimates of population size (NÌ‚) and effective sampling area (AÌ‚) are used to calculate density (DÌ‚ = NÌ‚/AÌ‚); and models applicable to sampling regimes using distance-sampling theory (typically transect lines or trapping webs) to estimate detection functions and densities directly from the distance data. However, few studies have evaluated these respective models for accuracy, precision, and bias on known field populations, and no studies have been conducted that compare the two approaches under controlled field conditions. In this study, we evaluated both classes of density estimators on known densities of enclosed rodent populations. Test data sets (n = 11) were developed using nine rodent species from capture–recapture live-trapping on both trapping grids and trapping webs in four replicate 4.2-ha enclosures on the Sevilleta National Wildlife Refuge in central New Mexico, USA. Additional “saturation” trapping efforts resulted in an enumeration of the rodent populations in each enclosure, allowing the computation of true densities. Density estimates (DÌ‚) were calculated using program CAPTURE for the grid data sets and program DISTANCE for the web data sets, and these results were compared to the known true densities (D) to evaluate each model's relative mean square error, accuracy, precision, and bias. In addition, we evaluated a variety of approaches to each data set's analysis by having a group of independent expert analysts calculate their best density estimates without a priori knowledge of the true densities; this

  8. The GEWEX LandFlux project: evaluation of model evaporation using tower-based and globally gridded forcing data

    Science.gov (United States)

    McCabe, M. F.; Ershadi, A.; Jimenez, C.; Miralles, D. G.; Michel, D.; Wood, E. F.

    2016-01-01

    Determining the spatial distribution and temporal development of evaporation at regional and global scales is required to improve our understanding of the coupled water and energy cycles and to better monitor any changes in observed trends and variability of linked hydrological processes. With recent international efforts guiding the development of long-term and globally distributed flux estimates, continued product assessments are required to inform upon the selection of suitable model structures and also to establish the appropriateness of these multi-model simulations for global application. In support of the objectives of the Global Energy and Water Cycle Exchanges (GEWEX) LandFlux project, four commonly used evaporation models are evaluated against data from tower-based eddy-covariance observations, distributed across a range of biomes and climate zones. The selected schemes include the Surface Energy Balance System (SEBS) approach, the Priestley-Taylor Jet Propulsion Laboratory (PT-JPL) model, the Penman-Monteith-based Mu model (PM-Mu) and the Global Land Evaporation Amsterdam Model (GLEAM). Here we seek to examine the fidelity of global evaporation simulations by examining the multi-model response to varying sources of forcing data. To do this, we perform parallel and collocated model simulations using tower-based data together with a global-scale grid-based forcing product. Through quantifying the multi-model response to high-quality tower data, a better understanding of the subsequent model response to the coarse-scale globally gridded data that underlies the LandFlux product can be obtained, while also providing a relative evaluation and assessment of model performance. Using surface flux observations from 45 globally distributed eddy-covariance stations as independent metrics of performance, the tower-based analysis indicated that PT-JPL provided the highest overall statistical performance (0.72; 61 W m-2; 0.65), followed closely by GLEAM (0.68; 64 W m-2

  9. The GEWEX LandFlux project: evaluation of model evaporation using tower-based and globally-gridded forcing data

    Science.gov (United States)

    McCabe, M. F.; Ershadi, A.; Jimenez, C.; Miralles, D. G.; Michel, D.; Wood, E. F.

    2015-08-01

    Determining the spatial distribution and temporal development of evaporation at regional and global scales is required to improve our understanding of the coupled water and energy cycles and to better monitor any changes in observed trends and variability of linked hydrological processes. With recent international efforts guiding the development of long-term and globally distributed flux estimates, continued product assessments are required to inform upon the selection of suitable model structures and also to establish the appropriateness of these multi-model simulations for global application. In support of the objectives of the GEWEX LandFlux project, four commonly used evaporation models are evaluated against data from tower-based eddy-covariance observations, distributed across a range of biomes and climate zones. The selected schemes include the Surface Energy Balance System (SEBS) approach, the Priestley-Taylor Jet Propulsion Laboratory (PT-JPL) model, the Penman-Monteith based Mu model (PM-Mu) and the Global Land Evaporation: the Amsterdam Methodology (GLEAM). Here we seek to examine the fidelity of global evaporation simulations by examining the multi-model response to varying sources of forcing data. To do this, we perform parallel and collocated model simulations using tower-based data together with a global-scale grid-based forcing product. Through quantifying the multi-model response to high-quality tower data, a better understanding of the subsequent model response to coarse-scale globally gridded data that underlies the LandFlux product can be obtained, while also providing a relative evaluation and assessment of model performance. Using surface flux observations from forty-five globally distributed eddy-covariance stations as independent metrics of performance, the tower-based analysis indicated that PT-JPL provided the highest overally statistical performance (0.72; 61 W m-2; 0.65), followed closely by GLEAM (0.68; 64 W m-2; 0.62), with values in

  10. Feature combination analysis in smart grid based using SOM for Sudan national grid

    Science.gov (United States)

    Bohari, Z. H.; Yusof, M. A. M.; Jali, M. H.; Sulaima, M. F.; Nasir, M. N. M.

    2015-12-01

    In the investigation of power grid security, the cascading failure in multicontingency situations has been a test because of its topological unpredictability and computational expense. Both system investigations and burden positioning routines have their limits. In this project, in view of sorting toward Self Organizing Maps (SOM), incorporated methodology consolidating spatial feature (distance)-based grouping with electrical attributes (load) to evaluate the vulnerability and cascading impact of various part sets in the force lattice. Utilizing the grouping result from SOM, sets of overwhelming stacked beginning victimized people to perform assault conspires and asses the consequent falling impact of their failures, and this SOM-based approach viably distinguishes the more powerless sets of substations than those from the conventional burden positioning and other bunching strategies. The robustness of power grids is a central topic in the design of the so called "smart grid". In this paper, to analyze the measures of importance of the nodes in a power grid under cascading failure. With these efforts, we can distinguish the most vulnerable nodes and protect them, improving the safety of the power grid. Also we can measure if a structure is proper for power grids.

  11. The GEWEX LandFlux project: evaluation of model evaporation using tower-based and globally gridded forcing data

    KAUST Repository

    McCabe, Matthew; Ershadi, Ali; Jimenez, C.; Miralles, Diego G.; Michel, D.; Wood, E. F.

    2016-01-01

    Determining the spatial distribution and temporal development of evaporation at regional and global scales is required to improve our understanding of the coupled water and energy cycles and to better monitor any changes in observed trends and variability of linked hydrological processes. With recent international efforts guiding the development of long-term and globally distributed flux estimates, continued product assessments are required to inform upon the selection of suitable model structures and also to establish the appropriateness of these multi-model simulations for global application. In support of the objectives of the Global Energy and Water Cycle Exchanges (GEWEX) LandFlux project, four commonly used evaporation models are evaluated against data from tower-based eddy-covariance observations, distributed across a range of biomes and climate zones. The selected schemes include the Surface Energy Balance System (SEBS) approach, the Priestley–Taylor Jet Propulsion Laboratory (PT-JPL) model, the Penman–Monteith-based Mu model (PM-Mu) and the Global Land Evaporation Amsterdam Model (GLEAM). Here we seek to examine the fidelity of global evaporation simulations by examining the multi-model response to varying sources of forcing data. To do this, we perform parallel and collocated model simulations using tower-based data together with a global-scale grid-based forcing product. Through quantifying the multi-model response to high-quality tower data, a better understanding of the subsequent model response to the coarse-scale globally gridded data that underlies the LandFlux product can be obtained, while also providing a relative evaluation and assessment of model performance.

    Using surface flux observations from 45 globally distributed eddy-covariance stations as independent metrics of performance, the tower-based analysis indicated that PT-JPL provided the highest overall statistical performance (0.72; 61 W m−2; 0.65), followed

  12. The GEWEX LandFlux project: evaluation of model evaporation using tower-based and globally gridded forcing data

    KAUST Repository

    McCabe, Matthew

    2016-01-26

    Determining the spatial distribution and temporal development of evaporation at regional and global scales is required to improve our understanding of the coupled water and energy cycles and to better monitor any changes in observed trends and variability of linked hydrological processes. With recent international efforts guiding the development of long-term and globally distributed flux estimates, continued product assessments are required to inform upon the selection of suitable model structures and also to establish the appropriateness of these multi-model simulations for global application. In support of the objectives of the Global Energy and Water Cycle Exchanges (GEWEX) LandFlux project, four commonly used evaporation models are evaluated against data from tower-based eddy-covariance observations, distributed across a range of biomes and climate zones. The selected schemes include the Surface Energy Balance System (SEBS) approach, the Priestley–Taylor Jet Propulsion Laboratory (PT-JPL) model, the Penman–Monteith-based Mu model (PM-Mu) and the Global Land Evaporation Amsterdam Model (GLEAM). Here we seek to examine the fidelity of global evaporation simulations by examining the multi-model response to varying sources of forcing data. To do this, we perform parallel and collocated model simulations using tower-based data together with a global-scale grid-based forcing product. Through quantifying the multi-model response to high-quality tower data, a better understanding of the subsequent model response to the coarse-scale globally gridded data that underlies the LandFlux product can be obtained, while also providing a relative evaluation and assessment of model performance.

    Using surface flux observations from 45 globally distributed eddy-covariance stations as independent metrics of performance, the tower-based analysis indicated that PT-JPL provided the highest overall statistical performance (0.72; 61 W m−2; 0.65), followed

  13. The GEWEX LandFlux project: evaluation of model evaporation using tower-based and globally-gridded forcing data

    KAUST Repository

    McCabe, Matthew

    2015-08-24

    Determining the spatial distribution and temporal development of evaporation at regional and global scales is required to improve our understanding of the coupled water and energy cycles and to better monitor any changes in observed trends and variability of linked hydrological processes. With recent international efforts guiding the development of long-term and globally distributed flux estimates, continued product assessments are required to inform upon the selection of suitable model structures and also to establish the appropriateness of these multi-model simulations for global application. In support of the objectives of the GEWEX LandFlux project, four commonly used evaporation models are evaluated against data from tower-based eddy-covariance observations, distributed across a range of biomes and climate zones. The selected schemes include the Surface Energy Balance System (SEBS) approach, the Priestley-Taylor Jet Propulsion Laboratory (PT-JPL) model, the Penman-Monteith based Mu model (PM-Mu) and the Global Land Evaporation: the Amsterdam Methodology (GLEAM). Here we seek to examine the fidelity of global evaporation simulations by examining the multi-model response to varying sources of forcing data. To do this, we perform parallel and collocated model simulations using tower-based data together with a global-scale grid-based forcing product. Through quantifying the multi-model response to high-quality tower data, a better understanding of the subsequent model response to coarse-scale globally gridded data that underlies the LandFlux product can be obtained, while also providing a relative evaluation and assessment of model performance.

    Using surface flux observations from forty-five globally distributed eddy-covariance stations as independent metrics of performance, the tower-based analysis indicated that PT-JPL provided the highest overally statistical performance (0.72; 61 W m−2; 0.65), followed closely by GLEAM (0.68; 64 W m

  14. Construction of an accurate quartic force field by using generalised least-squares fitting and experimental design

    International Nuclear Information System (INIS)

    Carbonniere, Philippe; Begue, Didier; Dargelos, Alain; Pouchan, Claude

    2004-01-01

    In this work we present an attractive least-squares fitting procedure which allows for the calculation of a quartic force field by jointly using energy, gradient, and Hessian data, obtained from electronic wave function calculations on a suitably chosen grid of points. We use the experimental design to select the grid points: a 'simplex-sum' of Box and Behnken grid was chosen for its efficiency and accuracy. We illustrate the numerical implementations of the method by using the energy and gradient data for H 2 O and H 2 CO. The B3LYP/cc-pVTZ quartic force field performed from 11 and 44 simplex-sum configurations shows excellent agreement in comparison to the classical 44 and 168 energy calculations

  15. The Martini Coarse-Grained Force Field

    NARCIS (Netherlands)

    Periole, X.; Marrink, S.J.; Monticelli, Luca; Salonen, Emppu

    2013-01-01

    The Martini force field is a coarse-grained force field suited for molecular dynamics simulations of biomolecular systems. The force field has been parameterized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical

  16. User's Manual for FOMOCO Utilities-Force and Moment Computation Tools for Overset Grids

    Science.gov (United States)

    Chan, William M.; Buning, Pieter G.

    1996-01-01

    In the numerical computations of flows around complex configurations, accurate calculations of force and moment coefficients for aerodynamic surfaces are required. When overset grid methods are used, the surfaces on which force and moment coefficients are sought typically consist of a collection of overlapping surface grids. Direct integration of flow quantities on the overlapping grids would result in the overlapped regions being counted more than once. The FOMOCO Utilities is a software package for computing flow coefficients (force, moment, and mass flow rate) on a collection of overset surfaces with accurate accounting of the overlapped zones. FOMOCO Utilities can be used in stand-alone mode or in conjunction with the Chimera overset grid compressible Navier-Stokes flow solver OVERFLOW. The software package consists of two modules corresponding to a two-step procedure: (1) hybrid surface grid generation (MIXSUR module), and (2) flow quantities integration (OVERINT module). Instructions on how to use this software package are described in this user's manual. Equations used in the flow coefficients calculation are given in Appendix A.

  17. Numerical study on flow fields and aerodynamics of tilt rotor aircraft in conversion mode based on embedded grid and actuator model

    Directory of Open Access Journals (Sweden)

    Ying Zhang

    2015-02-01

    Full Text Available A method combining rotor actuator disk model and embedded grid technique is presented in this paper, aimed at predicting the flow fields and aerodynamic characteristics of tilt rotor aircraft in conversion mode more efficiently and effectively. In this method, rotor’s influence is considered in terms of the momentum it impacts to the fluid around it; transformation matrixes among different coordinate systems are deduced to extend actuator method’s utility to conversion mode flow fields’ calculation. Meanwhile, an embedded grid system is designed, in which grids generated around fuselage and actuator disk are regarded as background grid and minor grid respectively, and a new method is presented for ‘donor searching’ and ‘hole cutting’ during grid assembling. Based on the above methods, flow fields of tilt rotor aircraft in conversion mode are simulated, with three-dimensional Navier–Stokes equations discretized by a second-order upwind finite-volume scheme and an implicit lower–upper symmetric Gauss–Seidel (LU-SGS time-stepping scheme. Numerical results demonstrate that the proposed CFD method is very effective in simulating the conversion mode flow fields of tilt rotor aircraft.

  18. Fast and accurate grid representations for atom-based docking with partner flexibility.

    Science.gov (United States)

    de Vries, Sjoerd J; Zacharias, Martin

    2017-06-30

    Macromolecular docking methods can broadly be divided into geometric and atom-based methods. Geometric methods use fast algorithms that operate on simplified, grid-like molecular representations, while atom-based methods are more realistic and flexible, but far less efficient. Here, a hybrid approach of grid-based and atom-based docking is presented, combining precalculated grid potentials with neighbor lists for fast and accurate calculation of atom-based intermolecular energies and forces. The grid representation is compatible with simultaneous multibody docking and can tolerate considerable protein flexibility. When implemented in our docking method ATTRACT, grid-based docking was found to be ∼35x faster. With the OPLSX forcefield instead of the ATTRACT coarse-grained forcefield, the average speed improvement was >100x. Grid-based representations may allow atom-based docking methods to explore large conformational spaces with many degrees of freedom, such as multiple macromolecules including flexibility. This increases the domain of biological problems to which docking methods can be applied. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  19. Force fields for silicas and aluminophosphates based on ab initio calculations

    NARCIS (Netherlands)

    Beest, van B.W.H.; Kramer, G.J.; Santen, van R.A.

    1990-01-01

    Authors address the problem of finding interat. force fields for silicas from ab initio calcns. on small clusters. The force field cannot be detd. from cluster data alone; incorporation of bulk-system information into the force field remains essential. Bearing this in mind, authors derive a force

  20. Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

    Science.gov (United States)

    Lemkul, Justin A; MacKerell, Alexander D

    2017-05-09

    Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

  1. Explosive force of primacord grid forms large sheet metal parts

    Science.gov (United States)

    1966-01-01

    Primacord which is woven through fish netting in a grid pattern is used for explosive forming of large sheet metal parts. The explosive force generated by the primacord detonation is uniformly distributed over the entire surface of the sheet metal workpiece.

  2. A 3D unstructured grid nearshore hydrodynamic model based on the vortex force formalism

    Science.gov (United States)

    Zheng, Peng; Li, Ming; van der A, Dominic A.; van der Zanden, Joep; Wolf, Judith; Chen, Xueen; Wang, Caixia

    2017-08-01

    A new three-dimensional nearshore hydrodynamic model system is developed based on the unstructured-grid version of the third generation spectral wave model SWAN (Un-SWAN) coupled with the three-dimensional ocean circulation model FVCOM to enable the full representation of the wave-current interaction in the nearshore region. A new wave-current coupling scheme is developed by adopting the vortex-force (VF) scheme to represent the wave-current interaction. The GLS turbulence model is also modified to better reproduce wave-breaking enhanced turbulence, together with a roller transport model to account for the effect of surface wave roller. This new model system is validated first against a theoretical case of obliquely incident waves on a planar beach, and then applied to three test cases: a laboratory scale experiment of normal waves on a beach with a fixed breaker bar, a field experiment of oblique incident waves on a natural, sandy barred beach (Duck'94 experiment), and a laboratory study of normal-incident waves propagating around a shore-parallel breakwater. Overall, the model predictions agree well with the available measurements in these tests, illustrating the robustness and efficiency of the present model for very different spatial scales and hydrodynamic conditions. Sensitivity tests indicate the importance of roller effects and wave energy dissipation on the mean flow (undertow) profile over the depth. These tests further suggest to adopt a spatially varying value for roller effects across the beach. In addition, the parameter values in the GLS turbulence model should be spatially inhomogeneous, which leads to better prediction of the turbulent kinetic energy and an improved prediction of the undertow velocity profile.

  3. Velocity field calculation for non-orthogonal numerical grids

    Energy Technology Data Exchange (ETDEWEB)

    Flach, G. P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

    2015-03-01

    Computational grids containing cell faces that do not align with an orthogonal (e.g. Cartesian, cylindrical) coordinate system are routinely encountered in porous-medium numerical simulations. Such grids are referred to in this study as non-orthogonal grids because some cell faces are not orthogonal to a coordinate system plane (e.g. xy, yz or xz plane in Cartesian coordinates). Non-orthogonal grids are routinely encountered at the Savannah River Site in porous-medium flow simulations for Performance Assessments and groundwater flow modeling. Examples include grid lines that conform to the sloping roof of a waste tank or disposal unit in a 2D Performance Assessment simulation, and grid surfaces that conform to undulating stratigraphic surfaces in a 3D groundwater flow model. Particle tracking is routinely performed after a porous-medium numerical flow simulation to better understand the dynamics of the flow field and/or as an approximate indication of the trajectory and timing of advective solute transport. Particle tracks are computed by integrating the velocity field from cell to cell starting from designated seed (starting) positions. An accurate velocity field is required to attain accurate particle tracks. However, many numerical simulation codes report only the volumetric flowrate (e.g. PORFLOW) and/or flux (flowrate divided by area) crossing cell faces. For an orthogonal grid, the normal flux at a cell face is a component of the Darcy velocity vector in the coordinate system, and the pore velocity for particle tracking is attained by dividing by water content. For a non-orthogonal grid, the flux normal to a cell face that lies outside a coordinate plane is not a true component of velocity with respect to the coordinate system. Nonetheless, normal fluxes are often taken as Darcy velocity components, either naively or with accepted approximation. To enable accurate particle tracking or otherwise present an accurate depiction of the velocity field for a non

  4. Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven "Force Field" for Biomolecular Interactions.

    Science.gov (United States)

    Verdonk, Marcel L; Ludlow, R Frederick; Giangreco, Ilenia; Rathi, Prakash Chandra

    2016-07-28

    The Protein Data Bank (PDB) contains a wealth of data on nonbonded biomolecular interactions. If this information could be distilled down to nonbonded interaction potentials, these would have some key advantages over standard force fields. However, there are some important outstanding issues to address in order to do this successfully. This paper introduces the protein-ligand informatics "force field", PLIff, which begins to address these key challenges ( https://bitbucket.org/AstexUK/pli ). As a result of their knowledge-based nature, the next-generation nonbonded potentials that make up PLIff automatically capture a wide range of interaction types, including special interactions that are often poorly described by standard force fields. We illustrate how PLIff may be used in structure-based design applications, including interaction fields, fragment mapping, and protein-ligand docking. PLIff performs at least as well as state-of-the art scoring functions in terms of pose predictions and ranking compounds in a virtual screening context.

  5. Special features of electron sources with CNT field emitter and micro grid

    International Nuclear Information System (INIS)

    Knapp, Wolfram; Schleussner, Detlef

    2005-01-01

    A micro-sized electron source plays an important role for new vacuum triode applications. For these applications, an electron source with CNT field emitter and micro grid for 1 mA was developed and investigated. The miniaturisation of the electron source was achieved by the use of a carbon nanotube (CNT) field emitter and a micro grid, with a distance of only a few micrometers. Because of the threshold field strength for field emission of CNTs being in the range 1-5 V/μm, the grid voltage can be lower than 100 V. In our contribution, we discuss the influence of the micro grid on electron source properties, especially anode-current hysteresis, anode-field penetration through the micro grid and micro-lensing effect

  6. Determination of Quantum Chemistry Based Force Fields for Molecular Dynamics Simulations of Aromatic Polymers

    Science.gov (United States)

    Jaffe, Richard; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Ab initio quantum chemistry calculations for model molecules can be used to parameterize force fields for molecular dynamics simulations of polymers. Emphasis in our research group is on using quantum chemistry-based force fields for molecular dynamics simulations of organic polymers in the melt and glassy states, but the methodology is applicable to simulations of small molecules, multicomponent systems and solutions. Special attention is paid to deriving reliable descriptions of the non-bonded and electrostatic interactions. Several procedures have been developed for deriving and calibrating these parameters. Our force fields for aromatic polyimide simulations will be described. In this application, the intermolecular interactions are the critical factor in determining many properties of the polymer (including its color).

  7. Forces in electromagnetic field and gravitational field

    OpenAIRE

    Weng, Zihua

    2008-01-01

    The force can be defined from the linear momentum in the gravitational field and electromagnetic field. But this definition can not cover the gradient of energy. In the paper, the force will be defined from the energy and torque in a new way, which involves the gravitational force, electromagnetic force, inertial force, gradient of energy, and some other new force terms etc. One of these new force terms can be used to explain why the solar wind varies velocity along the magnetic force line in...

  8. 3D modeling of forces between magnet and HTS in a levitation system using new approach of the control volume method based on an unstructured grid

    Energy Technology Data Exchange (ETDEWEB)

    Alloui, L., E-mail: lotfi.alloui@lgep.supelec.fr [Laboratoire de Genie Electrique de Paris - LGEP, CNRS UMR 8507, Supelec, Universite Pierre et Marie Curie-Paris 6, Universite Paris Sud-Paris 11, Plateau de Moulon, 11 rue Joliot Curie, 91192 Gif-Sur-Yvette Cedex (France); Laboratoire de modelisation des systemes energetiques (LMSE), Universite de Biskra, 07000 Biskra (Algeria); Bouillault, F., E-mail: bouillault@lgep.supelec.fr [Laboratoire de Genie Electrique de Paris - LGEP, CNRS UMR 8507, Supelec, Universite Pierre et Marie Curie-Paris 6, Universite Paris Sud-Paris 11, Plateau de Moulon, 11 rue Joliot Curie, 91192 Gif-Sur-Yvette Cedex (France); Bernard, L., E-mail: laurent.bernardl@lgep.supelc.fr [Laboratoire de Genie Electrique de Paris - LGEP, CNRS UMR 8507, Supelec, Universite Pierre et Marie Curie-Paris 6, Universite Paris Sud-Paris 11, Plateau de Moulon, 11 rue Joliot Curie, 91192 Gif-Sur-Yvette Cedex (France); Leveque, J., E-mail: jean.leveque@green.uhp-nancy.fr [Groupe de recherche en electronique et electrotechnique de Nancy, Universite Henry Poincare, BP 239, 54506 Vandoeuvre les Nancy (France)

    2012-05-15

    In this paper we present new 3D numerical model to calculate the vertical and the guidance forces in high temperature superconductors taking into account the influence of the flux creep phenomena. In the suggested numerical model, we adopt a new approach of the control volume method. This approach is based on the use of an unstructured grid which can be used to model more complex geometries. A comparison of the control volume method results with experiments verifies the validity of this approach and the proposed numerical model. Based on this model, the levitation force's relaxation at different temperatures was also studied.

  9. Performance of grid connected DFIG during recurring symmetrical faults using Internal Model Controller based Enhanced Field Oriented Control

    Directory of Open Access Journals (Sweden)

    D.V.N.Ananth

    2016-06-01

    Full Text Available The modern grid rules forces DFIG to withstand and operate during single as well as multiple low voltage grid faults. The system must not lose synchronism during any type of fault for a given time period. This withstanding capacity is called low voltage ride through (LVRT. To improve performance during LVRT, enhanced field oriented control (EFOC method is adopted in rotor side converter. This method helps in improving power transfer capability during steady state and better dynamic and transient stability during abnormal conditions. In this technique, rotor flux reference change from synchronous speed to some smaller speed or zero during the fault for injecting current at the rotor slip frequency. In this process, DC-Offset component of flux is controlled beyond decomposing to a lower value during faults and maintaining it. This offset decomposition of flux will be oscillatory in conventional FOC, whereas in EFOC with internal model controller, flux can damp quickly not only for single fault but during multiple faults. This strategy can regulate stator and rotor current waveform to sinusoidal without distortion during and after fault. It has better damped torque oscillations, control in rotor speed and generator flux during and after fault. The fluctuations in DC bus voltage across capacitor are also controlled using proposed EFOC technique. The system performance with under-voltage grid fault of 30% and 60% of the rated voltage occurring at the point of common coupling during 1 to 1.25 and another fault between 1.6 to 1.85 seconds are analyzed using simulation studies.

  10. Hierarchical atom type definitions and extensible all-atom force fields.

    Science.gov (United States)

    Jin, Zhao; Yang, Chunwei; Cao, Fenglei; Li, Feng; Jing, Zhifeng; Chen, Long; Shen, Zhe; Xin, Liang; Tong, Sijia; Sun, Huai

    2016-03-15

    The extensibility of force field is a key to solve the missing parameter problem commonly found in force field applications. The extensibility of conventional force fields is traditionally managed in the parameterization procedure, which becomes impractical as the coverage of the force field increases above a threshold. A hierarchical atom-type definition (HAD) scheme is proposed to make extensible atom type definitions, which ensures that the force field developed based on the definitions are extensible. To demonstrate how HAD works and to prepare a foundation for future developments, two general force fields based on AMBER and DFF functional forms are parameterized for common organic molecules. The force field parameters are derived from the same set of quantum mechanical data and experimental liquid data using an automated parameterization tool, and validated by calculating molecular and liquid properties. The hydration free energies are calculated successfully by introducing a polarization scaling factor to the dispersion term between the solvent and solute molecules. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

  11. Chimera Grid Tools

    Science.gov (United States)

    Chan, William M.; Rogers, Stuart E.; Nash, Steven M.; Buning, Pieter G.; Meakin, Robert

    2005-01-01

    Chimera Grid Tools (CGT) is a software package for performing computational fluid dynamics (CFD) analysis utilizing the Chimera-overset-grid method. For modeling flows with viscosity about geometrically complex bodies in relative motion, the Chimera-overset-grid method is among the most computationally cost-effective methods for obtaining accurate aerodynamic results. CGT contains a large collection of tools for generating overset grids, preparing inputs for computer programs that solve equations of flow on the grids, and post-processing of flow-solution data. The tools in CGT include grid editing tools, surface-grid-generation tools, volume-grid-generation tools, utility scripts, configuration scripts, and tools for post-processing (including generation of animated images of flows and calculating forces and moments exerted on affected bodies). One of the tools, denoted OVERGRID, is a graphical user interface (GUI) that serves to visualize the grids and flow solutions and provides central access to many other tools. The GUI facilitates the generation of grids for a new flow-field configuration. Scripts that follow the grid generation process can then be constructed to mostly automate grid generation for similar configurations. CGT is designed for use in conjunction with a computer-aided-design program that provides the geometry description of the bodies, and a flow-solver program.

  12. All-Atom Polarizable Force Field for DNA Based on the Classical Drude Oscillator Model

    Science.gov (United States)

    Savelyev, Alexey; MacKerell, Alexander D.

    2014-01-01

    Presented is a first generation atomistic force field for DNA in which electronic polarization is modeled based on the classical Drude oscillator formalism. The DNA model is based on parameters for small molecules representative of nucleic acids, including alkanes, ethers, dimethylphosphate, and the nucleic acid bases and empirical adjustment of key dihedral parameters associated with the phosphodiester backbone, glycosidic linkages and sugar moiety of DNA. Our optimization strategy is based on achieving a compromise between satisfying the properties of the underlying model compounds in the gas phase targeting QM data and reproducing a number of experimental properties of DNA duplexes in the condensed phase. The resulting Drude force field yields stable DNA duplexes on the 100 ns time scale and satisfactorily reproduces (1) the equilibrium between A and B forms of DNA and (2) transitions between the BI and BII sub-states of B form DNA. Consistency with the gas phase QM data for the model compounds is significantly better for the Drude model as compared to the CHARMM36 additive force field, which is suggested to be due to the improved response of the model to changes in the environment associated with the explicit inclusion of polarizability. Analysis of dipole moments associated with the nucleic acid bases shows the Drude model to have significantly larger values than those present in CHARMM36, with the dipoles of individual bases undergoing significant variations during the MD simulations. Additionally, the dipole moment of water was observed to be perturbed in the grooves of DNA. PMID:24752978

  13. Transfer functions of laminar premixed flames subjected to forcing by acoustic waves, AC electric fields, and non-thermal plasma discharges

    KAUST Repository

    Lacoste, Deanna

    2016-06-23

    The responses of laminar methane-air flames to forcing by acoustic waves, AC electric fields, and nanosecond repetitively pulsed (NRP) glow discharges are reported here. The experimental setup consists of an axisymmetric burner with a nozzle made from a quartz tube. Three different flame geometries have been studied: conical, M-shaped and V-shaped flames. A central stainless steel rod is used as a cathode for the electric field and plasma excitations. The acoustic forcing is obtained with a loudspeaker located at the bottom part of the burner. For forcing by AC electric fields, a metallic grid is placed above the rod and connected to an AC power supply. Plasma forcing is obtained by applying high-voltage pulses of 10-ns duration applied at 10 kHz, between the rod and an annular stainless steel ring, placed at the outlet of the quartz tube. The chemiluminescence of CH is used to determine the heat release rate fluctuations. For forcing by acoustic waves and plasma, the geometry of the flame plays a key role in the response of the combustion, while the flame shape does not affect the response of the combustion to electric field forcing. The flame response to acoustic forcing of about 10% of the incoming flow is similar to those obtained in the literature. The flames are found to be responsive to an AC electric field across the whole range of frequencies studied. A forcing mechanism, based on the generation of ionic wind, is proposed. The gain of the transfer function obtained for plasma forcing is found to be up to 5 times higher than for acoustic forcing. A possible mechanism of plasma forcing is introduced.

  14. Transfer functions of laminar premixed flames subjected to forcing by acoustic waves, AC electric fields, and non-thermal plasma discharges

    KAUST Repository

    Lacoste, Deanna; Xiong, Yuan; Moeck, Jonas P.; Chung, Suk-Ho; Roberts, William L.; Cha, Min

    2016-01-01

    The responses of laminar methane-air flames to forcing by acoustic waves, AC electric fields, and nanosecond repetitively pulsed (NRP) glow discharges are reported here. The experimental setup consists of an axisymmetric burner with a nozzle made from a quartz tube. Three different flame geometries have been studied: conical, M-shaped and V-shaped flames. A central stainless steel rod is used as a cathode for the electric field and plasma excitations. The acoustic forcing is obtained with a loudspeaker located at the bottom part of the burner. For forcing by AC electric fields, a metallic grid is placed above the rod and connected to an AC power supply. Plasma forcing is obtained by applying high-voltage pulses of 10-ns duration applied at 10 kHz, between the rod and an annular stainless steel ring, placed at the outlet of the quartz tube. The chemiluminescence of CH is used to determine the heat release rate fluctuations. For forcing by acoustic waves and plasma, the geometry of the flame plays a key role in the response of the combustion, while the flame shape does not affect the response of the combustion to electric field forcing. The flame response to acoustic forcing of about 10% of the incoming flow is similar to those obtained in the literature. The flames are found to be responsive to an AC electric field across the whole range of frequencies studied. A forcing mechanism, based on the generation of ionic wind, is proposed. The gain of the transfer function obtained for plasma forcing is found to be up to 5 times higher than for acoustic forcing. A possible mechanism of plasma forcing is introduced.

  15. Bioactive conformational generation of small molecules: A comparative analysis between force-field and multiple empirical criteria based methods

    Directory of Open Access Journals (Sweden)

    Jiang Hualiang

    2010-11-01

    Full Text Available Abstract Background Conformational sampling for small molecules plays an essential role in drug discovery research pipeline. Based on multi-objective evolution algorithm (MOEA, we have developed a conformational generation method called Cyndi in the previous study. In this work, in addition to Tripos force field in the previous version, Cyndi was updated by incorporation of MMFF94 force field to assess the conformational energy more rationally. With two force fields against a larger dataset of 742 bioactive conformations of small ligands extracted from PDB, a comparative analysis was performed between pure force field based method (FFBM and multiple empirical criteria based method (MECBM hybrided with different force fields. Results Our analysis reveals that incorporating multiple empirical rules can significantly improve the accuracy of conformational generation. MECBM, which takes both empirical and force field criteria as the objective functions, can reproduce about 54% (within 1Å RMSD of the bioactive conformations in the 742-molecule testset, much higher than that of pure force field method (FFBM, about 37%. On the other hand, MECBM achieved a more complete and efficient sampling of the conformational space because the average size of unique conformations ensemble per molecule is about 6 times larger than that of FFBM, while the time scale for conformational generation is nearly the same as FFBM. Furthermore, as a complementary comparison study between the methods with and without empirical biases, we also tested the performance of the three conformational generation methods in MacroModel in combination with different force fields. Compared with the methods in MacroModel, MECBM is more competitive in retrieving the bioactive conformations in light of accuracy but has much lower computational cost. Conclusions By incorporating different energy terms with several empirical criteria, the MECBM method can produce more reasonable conformational

  16. A data grid for imaging-based clinical trials

    Science.gov (United States)

    Zhou, Zheng; Chao, Sander S.; Lee, Jasper; Liu, Brent; Documet, Jorge; Huang, H. K.

    2007-03-01

    Clinical trials play a crucial role in testing new drugs or devices in modern medicine. Medical imaging has also become an important tool in clinical trials because images provide a unique and fast diagnosis with visual observation and quantitative assessment. A typical imaging-based clinical trial consists of: 1) A well-defined rigorous clinical trial protocol, 2) a radiology core that has a quality control mechanism, a biostatistics component, and a server for storing and distributing data and analysis results; and 3) many field sites that generate and send image studies to the radiology core. As the number of clinical trials increases, it becomes a challenge for a radiology core servicing multiple trials to have a server robust enough to administrate and quickly distribute information to participating radiologists/clinicians worldwide. The Data Grid can satisfy the aforementioned requirements of imaging based clinical trials. In this paper, we present a Data Grid architecture for imaging-based clinical trials. A Data Grid prototype has been implemented in the Image Processing and Informatics (IPI) Laboratory at the University of Southern California to test and evaluate performance in storing trial images and analysis results for a clinical trial. The implementation methodology and evaluation protocol of the Data Grid are presented.

  17. Magnetoelectric force microscopy based on magnetic force microscopy with modulated electric field.

    Science.gov (United States)

    Geng, Yanan; Wu, Weida

    2014-05-01

    We present the realization of a mesoscopic imaging technique, namely, the Magnetoelectric Force Microscopy (MeFM), for visualization of local magnetoelectric effect. The basic principle of MeFM is the lock-in detection of local magnetoelectric response, i.e., the electric field-induced magnetization, using magnetic force microscopy. We demonstrate MeFM capability by visualizing magnetoelectric domains on single crystals of multiferroic hexagonal manganites. Results of several control experiments exclude artifacts or extrinsic origins of the MeFM signal. The parameters are tuned to optimize the signal to noise ratio.

  18. General Forced Oscillations in a Real Power Grid Integrated with Large Scale Wind Power

    Directory of Open Access Journals (Sweden)

    Ping Ju

    2016-07-01

    Full Text Available According to the monitoring of the wide area measurement system, inter-area oscillations happen more and more frequently in a real power grid of China, which are close to the forced oscillation. Applying the conventional forced oscillation theory, the mechanism of these oscillations cannot be explained well, because the oscillations vary with random amplitude and a narrow frequency band. To explain the mechanism of such oscillations, the general forced oscillation (GFO mechanism is taken into consideration. The GFO is the power system oscillation excited by the random excitations, such as power fluctuations from renewable power generation. Firstly, properties of the oscillations observed in the real power grid are analyzed. Using the GFO mechanism, the observed oscillations seem to be the GFO caused by some random excitation. Then the variation of the wind power measured in this power gird is found to be the random excitation which may cause the GFO phenomenon. Finally, simulations are carried out and the power spectral density of the simulated oscillation is compared to that of the observed oscillation, and they are similar with each other. The observed oscillation is thus explained well using the GFO mechanism and the GFO phenomenon has now been observed for the first time in real power grids.

  19. A Comparative Study on Evaluation Methods of Fluid Forces on Cartesian Grids

    Directory of Open Access Journals (Sweden)

    Taku Nonomura

    2017-01-01

    Full Text Available We investigate the accuracy and the computational efficiency of the numerical schemes for evaluating fluid forces in Cartesian grid systems. A comparison is made between two different types of schemes, namely, polygon-based methods and mesh-based methods, which differ in the discretization of the surface of the object. The present assessment is intended to investigate the effects of the Reynolds number, the object motion, and the complexity of the object surface. The results show that the mesh-based methods work as well as the polygon-based methods, even if the object surface is discretized in a staircase manner. In addition, the results also show that the accuracy of the mesh-based methods is strongly dependent on the evaluation of shear stresses, and thus they must be evaluated by using a reliable method, such as the ghost-cell or ghost-fluid method.

  20. SAGE - MULTIDIMENSIONAL SELF-ADAPTIVE GRID CODE

    Science.gov (United States)

    Davies, C. B.

    1994-01-01

    SAGE, Self Adaptive Grid codE, is a flexible tool for adapting and restructuring both 2D and 3D grids. Solution-adaptive grid methods are useful tools for efficient and accurate flow predictions. In supersonic and hypersonic flows, strong gradient regions such as shocks, contact discontinuities, shear layers, etc., require careful distribution of grid points to minimize grid error and produce accurate flow-field predictions. SAGE helps the user obtain more accurate solutions by intelligently redistributing (i.e. adapting) the original grid points based on an initial or interim flow-field solution. The user then computes a new solution using the adapted grid as input to the flow solver. The adaptive-grid methodology poses the problem in an algebraic, unidirectional manner for multi-dimensional adaptations. The procedure is analogous to applying tension and torsion spring forces proportional to the local flow gradient at every grid point and finding the equilibrium position of the resulting system of grid points. The multi-dimensional problem of grid adaption is split into a series of one-dimensional problems along the computational coordinate lines. The reduced one dimensional problem then requires a tridiagonal solver to find the location of grid points along a coordinate line. Multi-directional adaption is achieved by the sequential application of the method in each coordinate direction. The tension forces direct the redistribution of points to the strong gradient region. To maintain smoothness and a measure of orthogonality of grid lines, torsional forces are introduced that relate information between the family of lines adjacent to one another. The smoothness and orthogonality constraints are direction-dependent, since they relate only the coordinate lines that are being adapted to the neighboring lines that have already been adapted. Therefore the solutions are non-unique and depend on the order and direction of adaption. Non-uniqueness of the adapted grid is

  1. Note: Laser-cut molybdenum grids for a retarding field energy analyzer

    Science.gov (United States)

    Landheer, K.; Kobelev, A. A.; Smirnov, A. S.; Bosman, J.; Deelen, S.; Rossewij, M.; de Waal, A. C.; Poulios, I.; Benschop, A. F.; Schropp, R. E. I.; Rath, J. K.

    2017-06-01

    A retarding field energy analyzer (RFEA) with grids created by laser-cutting a honeycomb mesh in a 50 μm thick molybdenum foil is presented. The flat grids span an area of 1 cm2 and have high transmission (20 μm wide walls between 150 μm wide meshes). The molybdenum grids were tested in a 3-grid RFEA configuration with an analyzer depth of 0.87 mm.

  2. General Forced Oscillations in a Real Power Grid Integrated with Large Scale Wind Power

    OpenAIRE

    Ping Ju; Yongfei Liu; Feng Wu; Fei Dai; Yiping Yu

    2016-01-01

    According to the monitoring of the wide area measurement system, inter-area oscillations happen more and more frequently in a real power grid of China, which are close to the forced oscillation. Applying the conventional forced oscillation theory, the mechanism of these oscillations cannot be explained well, because the oscillations vary with random amplitude and a narrow frequency band. To explain the mechanism of such oscillations, the general forced oscillation (GFO) mechanism is taken int...

  3. Evaluating amber force fields using computed NMR chemical shifts.

    Science.gov (United States)

    Koes, David R; Vries, John K

    2017-10-01

    NMR chemical shifts can be computed from molecular dynamics (MD) simulations using a template matching approach and a library of conformers containing chemical shifts generated from ab initio quantum calculations. This approach has potential utility for evaluating the force fields that underlie these simulations. Imperfections in force fields generate flawed atomic coordinates. Chemical shifts obtained from flawed coordinates have errors that can be traced back to these imperfections. We use this approach to evaluate a series of AMBER force fields that have been refined over the course of two decades (ff94, ff96, ff99SB, ff14SB, ff14ipq, and ff15ipq). For each force field a series of MD simulations are carried out for eight model proteins. The calculated chemical shifts for the 1 H, 15 N, and 13 C a atoms are compared with experimental values. Initial evaluations are based on root mean squared (RMS) errors at the protein level. These results are further refined based on secondary structure and the types of atoms involved in nonbonded interactions. The best chemical shift for identifying force field differences is the shift associated with peptide protons. Examination of the model proteins on a residue by residue basis reveals that force field performance is highly dependent on residue position. Examination of the time course of nonbonded interactions at these sites provides explanations for chemical shift differences at the atomic coordinate level. Results show that the newer ff14ipq and ff15ipq force fields developed with the implicitly polarized charge method perform better than the older force fields. © 2017 Wiley Periodicals, Inc.

  4. Bayesian grid matching

    DEFF Research Database (Denmark)

    Hartelius, Karsten; Carstensen, Jens Michael

    2003-01-01

    A method for locating distorted grid structures in images is presented. The method is based on the theories of template matching and Bayesian image restoration. The grid is modeled as a deformable template. Prior knowledge of the grid is described through a Markov random field (MRF) model which r...

  5. The scaled-charge additive force field for amino acid based ionic liquids

    DEFF Research Database (Denmark)

    Fileti, E. E.; Chaban, V. V.

    2014-01-01

    Ionic liquids (ILs) constitute an emerging research field. New ILs involve more and more organic and inorganic ions. Amino acid based ILs (AAILs) represent a specific interest due to their evolutional connection to proteins. We report a new non-polarizable force field (FF) for the eight AAILs...... comprising 1-ethyl-3-methylimidazolium cation and amino acid anions. The anions were obtained via deprotonation of carboxyl group. Specific cation-anion non-covalent interactions were taken into account by computing electrostatic potential for ion pairs. The van der Waals interactions were adopted from...

  6. First Gridded Spatial Field Reconstructions of Snow from Tree Rings

    Science.gov (United States)

    Coulthard, B. L.; Anchukaitis, K. J.; Pederson, G. T.; Alder, J. R.; Hostetler, S. W.; Gray, S. T.

    2017-12-01

    Western North America's mountain snowpacks provide critical water resources for human populations and ecosystems. Warmer temperatures and changing precipitation patterns will increasingly alter the quantity, extent, and persistence of snow in coming decades. A comprehensive understanding of the causes and range of long-term variability in this system is required for forecasting future anomalies, but snowpack observations are limited and sparse. While individual tree ring-based annual snowpack reconstructions have been developed for specific regions and mountain ranges, we present here the first collection of spatially-explicit gridded field reconstructions of seasonal snowpack within the American Rocky Mountains. Capitalizing on a new western North American snow-sensitive network of over 700 tree-ring chronologies, as well as recent advances in PRISM-based snow modeling, our gridded reconstructions offer a full space-time characterization of snow and associated water resource fluctuations over several centuries. The quality of reconstructions is evaluated against existing observations, proxy-records, and an independently-developed first-order monthly snow model.

  7. Software Process Improvement Using Force Field Analysis ...

    African Journals Online (AJOL)

    An improvement plan is then drawn and implemented. This paper studied the state of Nigerian software development organizations based on selected attributes. Force field analysis is used to partition the factors obtained into driving and restraining forces. An attempt was made to improve the software development process ...

  8. Mapping of the lateral flow field in typical subchannels of a support grid with vanes

    International Nuclear Information System (INIS)

    McClusky, Heather L.; Holloway, Mary V.; Conover, Timothy A.; Beasley, Donald E.; Conner, Michael E.; Smith III, L. David

    2003-01-01

    Lateral flow fields in four subchannels of a model rod bundle fuel assembly are measured using particle image velocimetry. Vanes (split-vane pairs) are located on the downstream edge of the support grids in the rod bundle fuel assembly and generate swirling flow. Measurements are acquired at a nominal Reynolds number of 28,000 and for seven streamwise locations ranging from 1.4 to 17.0 hydraulic diameters downstream of the grid. The streamwise development of the lateral flow field is divided into two regions based on the lateral flow structure. In Region I, multiple vortices are present in the flow field and vortex interactions occur. Either a single circular vortex or a hairpin shaped flow structure is formed in Region II. Lateral kinetic energy, maximum lateral velocity, centroid of vorticity, radial profiles of azimuthal velocity, and angular momentum are employed as measures of the streamwise development of the lateral flow field. The particle image velocimetry measurements of the present study are compared with laser doppler velocimetry measurements taken for the identical support grids and flow condition. (author)

  9. Grid Transmission Expansion Planning Model Based on Grid Vulnerability

    Science.gov (United States)

    Tang, Quan; Wang, Xi; Li, Ting; Zhang, Quanming; Zhang, Hongli; Li, Huaqiang

    2018-03-01

    Based on grid vulnerability and uniformity theory, proposed global network structure and state vulnerability factor model used to measure different grid models. established a multi-objective power grid planning model which considering the global power network vulnerability, economy and grid security constraint. Using improved chaos crossover and mutation genetic algorithm to optimize the optimal plan. For the problem of multi-objective optimization, dimension is not uniform, the weight is not easy given. Using principal component analysis (PCA) method to comprehensive assessment of the population every generation, make the results more objective and credible assessment. the feasibility and effectiveness of the proposed model are validated by simulation results of Garver-6 bus system and Garver-18 bus.

  10. Time-domain analysis of planar microstrip devices using a generalized Yee-algorithm based on unstructured grids

    Science.gov (United States)

    Gedney, Stephen D.; Lansing, Faiza

    1993-01-01

    The generalized Yee-algorithm is presented for the temporal full-wave analysis of planar microstrip devices. This algorithm has the significant advantage over the traditional Yee-algorithm in that it is based on unstructured and irregular grids. The robustness of the generalized Yee-algorithm is that structures that contain curved conductors or complex three-dimensional geometries can be more accurately, and much more conveniently modeled using standard automatic grid generation techniques. This generalized Yee-algorithm is based on the the time-marching solution of the discrete form of Maxwell's equations in their integral form. To this end, the electric and magnetic fields are discretized over a dual, irregular, and unstructured grid. The primary grid is assumed to be composed of general fitted polyhedra distributed throughout the volume. The secondary grid (or dual grid) is built up of the closed polyhedra whose edges connect the centroid's of adjacent primary cells, penetrating shared faces. Faraday's law and Ampere's law are used to update the fields normal to the primary and secondary grid faces, respectively. Subsequently, a correction scheme is introduced to project the normal fields onto the grid edges. It is shown that this scheme is stable, maintains second-order accuracy, and preserves the divergenceless nature of the flux densities. Finally, for computational efficiency the algorithm is structured as a series of sparse matrix-vector multiplications. Based on this scheme, the generalized Yee-algorithm has been implemented on vector and parallel high performance computers in a highly efficient manner.

  11. Agent-based Decentralization of Applications in Distributed Smart Grid Systems

    DEFF Research Database (Denmark)

    Kienesberger, Georg; Xypolytou, Evangelia; Marchgraber, Jurgen

    2015-01-01

    systems (DMACS) and aims to give an overview on the different requirements and challenges on the way from current centralized control systems to DMACS. Therefore, different ICT scenarios and MAS topologies are employed to discuss the decentralization of three exemplary smart grid applications: voltage......Smart grid technology promises to prepare today’s power systems for the challenges of the future by extensive integration of information and communication technology (ICT). One key aspect is the control paradigm which will have to be shifted from completely centralized control systems to more...... dezentralized concepts in order to adapt to the distributed nature of smart grids. Multi-agent systems (MAS) are a very promising approach for designing distributed, decentralized systems, naturally also in the field of smart grids. This work introduces the notion of decentralized multi-agent-based control...

  12. The effect of force feedback delay on stiffness perception and grip force modulation during tool-mediated interaction with elastic force fields.

    Science.gov (United States)

    Leib, Raz; Karniel, Amir; Nisky, Ilana

    2015-05-01

    During interaction with objects, we form an internal representation of their mechanical properties. This representation is used for perception and for guiding actions, such as in precision grip, where grip force is modulated with the predicted load forces. In this study, we explored the relationship between grip force adjustment and perception of stiffness during interaction with linear elastic force fields. In a forced-choice paradigm, participants probed pairs of virtual force fields while grasping a force sensor that was attached to a haptic device. For each pair, they were asked which field had higher level of stiffness. In half of the pairs, the force feedback of one of the fields was delayed. Participants underestimated the stiffness of the delayed field relatively to the nondelayed, but their grip force characteristics were similar in both conditions. We analyzed the magnitude of the grip force and the lag between the grip force and the load force in the exploratory probing movements within each trial. Right before answering which force field had higher level of stiffness, both magnitude and lag were similar between delayed and nondelayed force fields. These results suggest that an accurate internal representation of environment stiffness and time delay was used for adjusting the grip force. However, this representation did not help in eliminating the bias in stiffness perception. We argue that during performance of a perceptual task that is based on proprioceptive feedback, separate neural mechanisms are responsible for perception and action-related computations in the brain. Copyright © 2015 the American Physiological Society.

  13. ON ESTIMATING FORCE-FREENESS BASED ON OBSERVED MAGNETOGRAMS

    International Nuclear Information System (INIS)

    Zhang, X. M.; Zhang, M.; Su, J. T.

    2017-01-01

    It is a common practice in the solar physics community to test whether or not measured photospheric or chromospheric vector magnetograms are force-free, using the Maxwell stress as a measure. Some previous studies have suggested that magnetic fields of active regions in the solar chromosphere are close to being force-free whereas there is no consistency among previous studies on whether magnetic fields of active regions in the solar photosphere are force-free or not. Here we use three kinds of representative magnetic fields (analytical force-free solutions, modeled solar-like force-free fields, and observed non-force-free fields) to discuss how measurement issues such as limited field of view (FOV), instrument sensitivity, and measurement error could affect the estimation of force-freeness based on observed magnetograms. Unlike previous studies that focus on discussing the effect of limited FOV or instrument sensitivity, our calculation shows that just measurement error alone can significantly influence the results of estimates of force-freeness, due to the fact that measurement errors in horizontal magnetic fields are usually ten times larger than those in vertical fields. This property of measurement errors, interacting with the particular form of a formula for estimating force-freeness, would result in wrong judgments of the force-freeness: a truly force-free field may be mistakenly estimated as being non-force-free and a truly non-force-free field may be estimated as being force-free. Our analysis calls for caution when interpreting estimates of force-freeness based on measured magnetograms, and also suggests that the true photospheric magnetic field may be further away from being force-free than it currently appears to be.

  14. Approximate photochemical dynamics of azobenzene with reactive force fields

    Science.gov (United States)

    Li, Yan; Hartke, Bernd

    2013-12-01

    We have fitted reactive force fields of the ReaxFF type to the ground and first excited electronic states of azobenzene, using global parameter optimization by genetic algorithms. Upon coupling with a simple energy-gap transition probability model, this setup allows for completely force-field-based simulations of photochemical cis→trans- and trans→cis-isomerizations of azobenzene, with qualitatively acceptable quantum yields. This paves the way towards large-scale dynamics simulations of molecular machines, including bond breaking and formation (via the reactive force field) as well as photochemical engines (presented in this work).

  15. An atomistic fingerprint algorithm for learning ab initio molecular force fields

    Science.gov (United States)

    Tang, Yu-Hang; Zhang, Dongkun; Karniadakis, George Em

    2018-01-01

    Molecular fingerprints, i.e., feature vectors describing atomistic neighborhood configurations, is an important abstraction and a key ingredient for data-driven modeling of potential energy surface and interatomic force. In this paper, we present the density-encoded canonically aligned fingerprint algorithm, which is robust and efficient, for fitting per-atom scalar and vector quantities. The fingerprint is essentially a continuous density field formed through the superimposition of smoothing kernels centered on the atoms. Rotational invariance of the fingerprint is achieved by aligning, for each fingerprint instance, the neighboring atoms onto a local canonical coordinate frame computed from a kernel minisum optimization procedure. We show that this approach is superior over principal components analysis-based methods especially when the atomistic neighborhood is sparse and/or contains symmetry. We propose that the "distance" between the density fields be measured using a volume integral of their pointwise difference. This can be efficiently computed using optimal quadrature rules, which only require discrete sampling at a small number of grid points. We also experiment on the choice of weight functions for constructing the density fields and characterize their performance for fitting interatomic potentials. The applicability of the fingerprint is demonstrated through a set of benchmark problems.

  16. Preface: Special Topic: From Quantum Mechanics to Force Fields

    Science.gov (United States)

    Piquemal, Jean-Philip; Jordan, Kenneth D.

    2017-10-01

    This Special Topic issue entitled "From Quantum Mechanics to Force Fields" is dedicated to the ongoing efforts of the theoretical chemistry community to develop a new generation of accurate force fields based on data from high-level electronic structure calculations and to develop faster electronic structure methods for testing and designing force fields as well as for carrying out simulations. This issue includes a collection of 35 original research articles that illustrate recent theoretical advances in the field. It provides a timely snapshot of recent developments in the generation of approaches to enable more accurate molecular simulations of processes important in chemistry, physics, biophysics, and materials science.

  17. Diviner lunar radiometer gridded brightness temperatures from geodesic binning of modeled fields of view

    Science.gov (United States)

    Sefton-Nash, E.; Williams, J.-P.; Greenhagen, B. T.; Aye, K.-M.; Paige, D. A.

    2017-12-01

    An approach is presented to efficiently produce high quality gridded data records from the large, global point-based dataset returned by the Diviner Lunar Radiometer Experiment aboard NASA's Lunar Reconnaissance Orbiter. The need to minimize data volume and processing time in production of science-ready map products is increasingly important with the growth in data volume of planetary datasets. Diviner makes on average >1400 observations per second of radiance that is reflected and emitted from the lunar surface, using 189 detectors divided into 9 spectral channels. Data management and processing bottlenecks are amplified by modeling every observation as a probability distribution function over the field of view, which can increase the required processing time by 2-3 orders of magnitude. Geometric corrections, such as projection of data points onto a digital elevation model, are numerically intensive and therefore it is desirable to perform them only once. Our approach reduces bottlenecks through parallel binning and efficient storage of a pre-processed database of observations. Database construction is via subdivision of a geodesic icosahedral grid, with a spatial resolution that can be tailored to suit the field of view of the observing instrument. Global geodesic grids with high spatial resolution are normally impractically memory intensive. We therefore demonstrate a minimum storage and highly parallel method to bin very large numbers of data points onto such a grid. A database of the pre-processed and binned points is then used for production of mapped data products that is significantly faster than if unprocessed points were used. We explore quality controls in the production of gridded data records by conditional interpolation, allowed only where data density is sufficient. The resultant effects on the spatial continuity and uncertainty in maps of lunar brightness temperatures is illustrated. We identify four binning regimes based on trades between the

  18. The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaine

    DEFF Research Database (Denmark)

    Li, Xiaozhou; Neumann, Marcus A.; van de Streek, Jacco

    2017-01-01

    of a fully automatically generated tailor-made force field (TMFF) for the dynamic aspects of NMR crystallography is evaluated and compared with existing benchmarks, including static dispersion-corrected density functional theory calculations and the COMPASS force field. The crystal structure of free base...

  19. Optical Characterization of Lorentz Force Based CMOS-MEMS Magnetic Field Sensor.

    Science.gov (United States)

    Dennis, John Ojur; Ahmad, Farooq; Khir, M Haris Bin Md; Bin Hamid, Nor Hisham

    2015-07-27

    Magnetic field sensors are becoming an essential part of everyday life due to the improvements in their sensitivities and resolutions, while at the same time they have become compact, smaller in size and economical. In the work presented herein a Lorentz force based CMOS-MEMS magnetic field sensor is designed, fabricated and optically characterized. The sensor is fabricated by using CMOS thin layers and dry post micromachining is used to release the device structure and finally the sensor chip is packaged in DIP. The sensor consists of a shuttle which is designed to resonate in the lateral direction (first mode of resonance). In the presence of an external magnetic field, the Lorentz force actuates the shuttle in the lateral direction and the amplitude of resonance is measured using an optical method. The differential change in the amplitude of the resonating shuttle shows the strength of the external magnetic field. The resonance frequency of the shuttle is determined to be 8164 Hz experimentally and from the resonance curve, the quality factor and damping ratio are obtained. In an open environment, the quality factor and damping ratio are found to be 51.34 and 0.00973 respectively. The sensitivity of the sensor is determined in static mode to be 0.034 µm/mT when a current of 10 mA passes through the shuttle, while it is found to be higher at resonance with a value of 1.35 µm/mT at 8 mA current. Finally, the resolution of the sensor is found to be 370.37 µT.

  20. Ab initio protein structure assembly using continuous structure fragments and optimized knowledge-based force field.

    Science.gov (United States)

    Xu, Dong; Zhang, Yang

    2012-07-01

    Ab initio protein folding is one of the major unsolved problems in computational biology owing to the difficulties in force field design and conformational search. We developed a novel program, QUARK, for template-free protein structure prediction. Query sequences are first broken into fragments of 1-20 residues where multiple fragment structures are retrieved at each position from unrelated experimental structures. Full-length structure models are then assembled from fragments using replica-exchange Monte Carlo simulations, which are guided by a composite knowledge-based force field. A number of novel energy terms and Monte Carlo movements are introduced and the particular contributions to enhancing the efficiency of both force field and search engine are analyzed in detail. QUARK prediction procedure is depicted and tested on the structure modeling of 145 nonhomologous proteins. Although no global templates are used and all fragments from experimental structures with template modeling score >0.5 are excluded, QUARK can successfully construct 3D models of correct folds in one-third cases of short proteins up to 100 residues. In the ninth community-wide Critical Assessment of protein Structure Prediction experiment, QUARK server outperformed the second and third best servers by 18 and 47% based on the cumulative Z-score of global distance test-total scores in the FM category. Although ab initio protein folding remains a significant challenge, these data demonstrate new progress toward the solution of the most important problem in the field. Copyright © 2012 Wiley Periodicals, Inc.

  1. Plasma grid design for optimized filter field configuration for the NBI test facility ELISE

    International Nuclear Information System (INIS)

    Nocentini, R.; Gutser, R.; Heinemann, B.; Froeschle, M.; Riedl, R.

    2009-01-01

    Maintenance-free RF sources for negative hydrogen ions with moderate extraction areas (100-200 cm 2 ) have been successfully developed in the last years at IPP Garching in the test facilities BATMAN and MANITU. A facility with larger extraction area (1000 cm 2 ), ELISE, is being designed with a 'half-size' ITER-like extraction system, pulsed ion acceleration up to 60 kV for 10 s and plasma generation up to 1 h. Due to the large size of the source, the magnetic filter field (FF) cannot be produced solely by permanent magnets. Therefore, an additional magnetic field produced by current flowing through the plasma grid (PG current) is required. The filter field homogeneity and the interaction with the electron suppression magnetic field have been studied in detail by finite element method (FEM) during the ELISE design phase. Significant improvements regarding the field homogeneity have been introduced compared to the ITER reference design. Also, for the same PG current a 50% higher field in front of the grid has been achieved by optimizing the plasma grid geometry. Hollow spaces have been introduced in the plasma grid for a more homogeneous PG current distribution. The introduction of hollow spaces also allows the insertion of permanent magnets in the plasma grid.

  2. Consistent force fields for saccharides

    DEFF Research Database (Denmark)

    Rasmussen, Kjeld

    1999-01-01

    Consistent force fields for carbohydrates were hitherto developed by extensive optimization ofpotential energy function parameters on experimental data and on ab initio results. A wide range of experimental data is used: internal structures obtained from gas phase electron diffraction and from x......-anomeric effects are accounted for without addition of specific terms. The work is done in the framework of the Consistent Force Field which originatedin Israel and was further developed in Denmark. The actual methods and strategies employed havebeen described previously. Extensive testing of the force field...

  3. ANALYSIS AND VALIDATION OF GRID DEM GENERATION BASED ON GAUSSIAN MARKOV RANDOM FIELD

    Directory of Open Access Journals (Sweden)

    F. J. Aguilar

    2016-06-01

    Full Text Available Digital Elevation Models (DEMs are considered as one of the most relevant geospatial data to carry out land-cover and land-use classification. This work deals with the application of a mathematical framework based on a Gaussian Markov Random Field (GMRF to interpolate grid DEMs from scattered elevation data. The performance of the GMRF interpolation model was tested on a set of LiDAR data (0.87 points/m2 provided by the Spanish Government (PNOA Programme over a complex working area mainly covered by greenhouses in Almería, Spain. The original LiDAR data was decimated by randomly removing different fractions of the original points (from 10% to up to 99% of points removed. In every case, the remaining points (scattered observed points were used to obtain a 1 m grid spacing GMRF-interpolated Digital Surface Model (DSM whose accuracy was assessed by means of the set of previously extracted checkpoints. The GMRF accuracy results were compared with those provided by the widely known Triangulation with Linear Interpolation (TLI. Finally, the GMRF method was applied to a real-world case consisting of filling the LiDAR-derived DSM gaps after manually filtering out non-ground points to obtain a Digital Terrain Model (DTM. Regarding accuracy, both GMRF and TLI produced visually pleasing and similar results in terms of vertical accuracy. As an added bonus, the GMRF mathematical framework makes possible to both retrieve the estimated uncertainty for every interpolated elevation point (the DEM uncertainty and include break lines or terrain discontinuities between adjacent cells to produce higher quality DTMs.

  4. Directly electrospun ultrafine nanofibres with Cu grid spinneret

    International Nuclear Information System (INIS)

    Li Wenwang; Zheng Gaofeng; Wang Xiang; Wang Lingyun; Wang Han; Sun Daoheng; Zhang Yulong; Li Lei

    2011-01-01

    A hydrophobic Cu grid was used as an electrospinning spinneret to fabricate ultrafine organic nanofibres. The Cu grid used in this study was that which holds samples in TEM. Due to the hydrophobic surface and larger contact angle of the electrospinning solution on the Cu grid surface, the solution flow was divided into several finer ones by the holes in the Cu grid instead of accumulating. Each finer flow was stretched into individual jets and established a multi-jet mode by the electrical field force. The finer jets played an important role in decreasing the diameter of the nanofibre. The charge repulsion force among charged jets enhanced the whipping instability motion of the liquid jets, which improved the uniformity of the nanofibre and decreased the diameter of the nanofibre. An ultrafine uniform nanofibre of diameter less than 80 nm could be fabricated directly with the novel Cu grid spinneret without any additive. This study provided a unique way to promote the application of one-dimensional organic nanostructures in micro/nanosystems.

  5. MrGrid: a portable grid based molecular replacement pipeline.

    Directory of Open Access Journals (Sweden)

    Jason W Schmidberger

    Full Text Available BACKGROUND: The crystallographic determination of protein structures can be computationally demanding and for difficult cases can benefit from user-friendly interfaces to high-performance computing resources. Molecular replacement (MR is a popular protein crystallographic technique that exploits the structural similarity between proteins that share some sequence similarity. But the need to trial permutations of search models, space group symmetries and other parameters makes MR time- and labour-intensive. However, MR calculations are embarrassingly parallel and thus ideally suited to distributed computing. In order to address this problem we have developed MrGrid, web-based software that allows multiple MR calculations to be executed across a grid of networked computers, allowing high-throughput MR. METHODOLOGY/PRINCIPAL FINDINGS: MrGrid is a portable web based application written in Java/JSP and Ruby, and taking advantage of Apple Xgrid technology. Designed to interface with a user defined Xgrid resource the package manages the distribution of multiple MR runs to the available nodes on the Xgrid. We evaluated MrGrid using 10 different protein test cases on a network of 13 computers, and achieved an average speed up factor of 5.69. CONCLUSIONS: MrGrid enables the user to retrieve and manage the results of tens to hundreds of MR calculations quickly and via a single web interface, as well as broadening the range of strategies that can be attempted. This high-throughput approach allows parameter sweeps to be performed in parallel, improving the chances of MR success.

  6. Deriving force field parameters for coordination complexes

    DEFF Research Database (Denmark)

    Norrby, Per-Ola; Brandt, Peter

    2001-01-01

    The process of deriving molecular mechanics force fields for coordination complexes is outlined. Force field basics are introduced with an emphasis on special requirements for metal complexes. The review is then focused on how to set up the initial model, define the target, refine the parameters......, and validate the final force field, Alternatives to force field derivation are discussed briefly....

  7. Demonstration of Security Benefits of Renewable Generation at FE Warren Air Force Base

    International Nuclear Information System (INIS)

    Warwick, William M.; Myers, Kurt; Seifert, Gary

    2010-01-01

    Report detailing field demonstration of security benefits of renewable generation at FE Warren Air Force Base. The 2006 National Defense Appropriations Act directed the Department of Defense (DOD) to coordinate the testing of a wind turbine (new to the U.S. market) at an Air Force installation as a follow on to analyses conducted by the Pacific Northwest National Laborabory (PNNL) as part of the 2005 DOD Renewable Assessment. The earlier study simulated the performance of renewable power produced from wind turbines, solar photovoltaics and geothermal energy as part of a Base-wide energy security solution. The simulation concluded that integration of renewable generating resources with emergency generators, typically diesel-fired, could significantly enhance energy security and extend power supplies during prolonged commercial grid power outages. A simulation is insufficient to convince skeptics of the reliability of renewable resources, especially those that produce power only intermittently, like wind and solar. Therefore, Congress requested a field demonstration be performed using a wind turbine because wind power is the most erratic of all renewable resources. Following this direction, the Air Force identified a site for the wind turbine demonstration and contracted with the Idaho National Laboratory (INL) and PNNL to conduct the demonstration and implement other provisions in the appropriation bill. INL identified a wind turbine that met the legislative requirements (the Gamesa G-80), and with the support of PNNL and the Air Force, selected FE Warren Air Force Base for the demonstration. FE Warren has an excellent wind resource and was already a host to two wind turbines and could accommodate a third. The G-80 is rated at 2 MWs versus the two existing 660 kW turbines, consequently wind production would more than double. Procurement, siting, and acceptance testing of the new turbine was completed in early 2010. The field test was conducted in late April 2010

  8. Polarization effects in molecular mechanical force fields

    Energy Technology Data Exchange (ETDEWEB)

    Cieplak, Piotr [Burnham Institute for Medical Research, 10901 North Torrey Pines Road, La Jolla, CA 92120 (United States); Dupradeau, Francois-Yves [UMR CNRS 6219-Faculte de Pharmacie, Universite de Picardie Jules Verne, 1 rue des Louvels, F-80037 Amiens (France); Duan, Yong [Genome Center and Department of Applied Science, University of California, Davis, One Shields Avenue, Davis, CA 95616 (United States); Wang Junmei, E-mail: pcieplak@burnham.or [Department of Pharmacology, University of Texas Southwestern Medical Center, 6001 Forest Park Boulevard, ND9.136, Dallas, TX 75390-9050 (United States)

    2009-08-19

    The focus here is on incorporating electronic polarization into classical molecular mechanical force fields used for macromolecular simulations. First, we briefly examine currently used molecular mechanical force fields and the current status of intermolecular forces as viewed by quantum mechanical approaches. Next, we demonstrate how some components of quantum mechanical energy are effectively incorporated into classical molecular mechanical force fields. Finally, we assess the modeling methods of one such energy component-polarization energy-and present an overview of polarizable force fields and their current applications. Incorporating polarization effects into current force fields paves the way to developing potentially more accurate, though more complex, parameterizations that can be used for more realistic molecular simulations. (topical review)

  9. Design of Energy Storage Management System Based on FPGA in Micro-Grid

    Science.gov (United States)

    Liang, Yafeng; Wang, Yanping; Han, Dexiao

    2018-01-01

    Energy storage system is the core to maintain the stable operation of smart micro-grid. Aiming at the existing problems of the energy storage management system in the micro-grid such as Low fault tolerance, easy to cause fluctuations in micro-grid, a new intelligent battery management system based on field programmable gate array is proposed : taking advantage of FPGA to combine the battery management system with the intelligent micro-grid control strategy. Finally, aiming at the problem that during estimation of battery charge State by neural network, initialization of weights and thresholds are not accurate leading to large errors in prediction results, the genetic algorithm is proposed to optimize the neural network method, and the experimental simulation is carried out. The experimental results show that the algorithm has high precision and provides guarantee for the stable operation of micro-grid.

  10. Centrifugal Force Based Magnetic Micro-Pump Driven by Rotating Magnetic Fields

    International Nuclear Information System (INIS)

    Kim, S H; Hashi, S; Ishiyama, K

    2011-01-01

    This paper presents a centrifugal force based magnetic micro-pump for the pumping of blood. Most blood pumps are driven by an electrical motor with wired control. To develop a wireless and battery-free blood pump, the proposed pump is controlled by external rotating magnetic fields with a synchronized impeller. Synchronization occurs because the rotor is divided into multi-stage impeller parts and NdFeB permanent magnet. Finally, liquid is discharged by the centrifugal force of multi-stage impeller. The proposed pump length is 30 mm long and 19 mm in diameter which much smaller than currently pumps; however, its pumping ability satisfies the requirement for a blood pump. The maximum pressure is 120 mmHg and the maximum flow rate is 5000ml/min at 100 Hz. The advantage of the proposed pump is that the general mechanical problems of a normal blood pump are eliminated by the proposed driving mechanism.

  11. Centrifugal Force Based Magnetic Micro-Pump Driven by Rotating Magnetic Fields

    Science.gov (United States)

    Kim, S. H.; Hashi, S.; Ishiyama, K.

    2011-01-01

    This paper presents a centrifugal force based magnetic micro-pump for the pumping of blood. Most blood pumps are driven by an electrical motor with wired control. To develop a wireless and battery-free blood pump, the proposed pump is controlled by external rotating magnetic fields with a synchronized impeller. Synchronization occurs because the rotor is divided into multi-stage impeller parts and NdFeB permanent magnet. Finally, liquid is discharged by the centrifugal force of multi-stage impeller. The proposed pump length is 30 mm long and19 mm in diameter which much smaller than currently pumps; however, its pumping ability satisfies the requirement for a blood pump. The maximum pressure is 120 mmHg and the maximum flow rate is 5000ml/min at 100 Hz. The advantage of the proposed pump is that the general mechanical problems of a normal blood pump are eliminated by the proposed driving mechanism.

  12. Shearing-induced asymmetry in entorhinal grid cells.

    Science.gov (United States)

    Stensola, Tor; Stensola, Hanne; Moser, May-Britt; Moser, Edvard I

    2015-02-12

    Grid cells are neurons with periodic spatial receptive fields (grids) that tile two-dimensional space in a hexagonal pattern. To provide useful information about location, grids must be stably anchored to an external reference frame. The mechanisms underlying this anchoring process have remained elusive. Here we show in differently sized familiar square enclosures that the axes of the grids are offset from the walls by an angle that minimizes symmetry with the borders of the environment. This rotational offset is invariably accompanied by an elliptic distortion of the grid pattern. Reversing the ellipticity analytically by a shearing transformation removes the angular offset. This, together with the near-absence of rotation in novel environments, suggests that the rotation emerges through non-coaxial strain as a function of experience. The systematic relationship between rotation and distortion of the grid pattern points to shear forces arising from anchoring to specific geometric reference points as key elements of the mechanism for alignment of grid patterns to the external world.

  13. Research on Thermal-Field and Sound-Field Coupling Properties of Different Grid Forms

    Directory of Open Access Journals (Sweden)

    Enlai Zhang

    2016-01-01

    Full Text Available The inlet grid and exhaust grid are widely used in engineering machinery products. The process that airflow goes through grids is a complex turbulent flow and directly related to the heat dispersion and aerodynamic noise. The theoretical analysis result shows that the jet noise generated by airflow has a connection with the grid structure form, fluid flowing situation, and heat conduction. In addition, the influences of different grid structure forms (included the round hole, long hole, and square hole and porosity on the heat dissipation and aerodynamic noise were analyzed and presented based on the verified computational fluid dynamics (CFD model. Results show that the heat dispersion and aerodynamic noise of the round hole are most effective under the same porosity; as the porosity increases, the disturbance degree decreases and the noise reduction effect gets better. Finally, the research result provides the scientific basis for improving grid structure and achieving energy saving and noise reduction.

  14. Ecosystem Based Business Model of Smart Grid

    OpenAIRE

    Lundgaard, Morten Raahauge; Ma, Zheng; Jørgensen, Bo Nørregaard

    2015-01-01

    This paper tries to investigate the ecosystem based business model in a smart grid infrastructure and the potential of value capture in the highly complex macro infrastructure such as smart grid. This paper proposes an alternative perspective to study the smart grid business ecosystem to support the infrastructural challenges, such as the interoperability of business components for smart grid. So far little research has explored the business ecosystem in the smart grid concept. The study on t...

  15. Near field plasmon and force microscopy

    NARCIS (Netherlands)

    de Hollander, R.B.G.; van Hulst, N.F.; Kooyman, R.P.H.

    1995-01-01

    A scanning plasmon near field optical microscope (SPNM) is presented which combines a conventional far field surface plasmon microscope with a stand-alone atomic force microscope (AFM). Near field plasmon and force images are recorded simultaneously both with a lateral resolution limited by the

  16. MATCH: An Atom- Typing Toolset for Molecular Mechanics Force Fields

    Science.gov (United States)

    Yesselman, Joseph D.; Price, Daniel J.; Knight, Jennifer L.; Brooks, Charles L.

    2011-01-01

    We introduce a toolset of program libraries collectively titled MATCH (Multipurpose Atom-Typer for CHARMM) for the automated assignment of atom types and force field parameters for molecular mechanics simulation of organic molecules. The toolset includes utilities for the conversion from multiple chemical structure file formats into a molecular graph. A general chemical pattern-matching engine using this graph has been implemented whereby assignment of molecular mechanics atom types, charges and force field parameters is achieved by comparison against a customizable list of chemical fragments. While initially designed to complement the CHARMM simulation package and force fields by generating the necessary input topology and atom-type data files, MATCH can be expanded to any force field and program, and has core functionality that makes it extendable to other applications such as fragment-based property prediction. In the present work, we demonstrate the accurate construction of atomic parameters of molecules within each force field included in CHARMM36 through exhaustive cross validation studies illustrating that bond increment rules derived from one force field can be transferred to another. In addition, using leave-one-out substitution it is shown that it is also possible to substitute missing intra and intermolecular parameters with ones included in a force field to complete the parameterization of novel molecules. Finally, to demonstrate the robustness of MATCH and the coverage of chemical space offered by the recent CHARMM CGENFF force field (Vanommeslaeghe, et al., JCC., 2010, 31, 671–690), one million molecules from the PubChem database of small molecules are typed, parameterized and minimized. PMID:22042689

  17. A Data Transmission Algorithm Based on Dynamic Grid Division for Coal Goaf Temperature Monitoring

    Directory of Open Access Journals (Sweden)

    Qingsong Hu

    2014-01-01

    Full Text Available WSN (wireless sensor network is a perfect tool of temperature monitoring in coal goaf. Based on the three-zone theory of goaf, the GtmWSN model is proposed, and its dynamic features are analyzed. Accordingly, a data transmission scheme, named DTDGD, is worked out. Firstly, sink nodes conduct dynamic grid division on the GtmWSN according to virtual semicircle. Secondly, each node will confirm to which grid it belongs based on grid number. Finally, data will be delivered to sink nodes with greedy forward and hole avoidance. Simulation results and field data showed that the GtmWSN and DTDGD satisfied the lifetime need of goaf temperature monitoring.

  18. Adaptive hierarchical grid model of water-borne pollutant dispersion

    Science.gov (United States)

    Borthwick, A. G. L.; Marchant, R. D.; Copeland, G. J. M.

    Water pollution by industrial and agricultural waste is an increasingly major public health issue. It is therefore important for water engineers and managers to be able to predict accurately the local behaviour of water-borne pollutants. This paper describes the novel and efficient coupling of dynamically adaptive hierarchical grids with standard solvers of the advection-diffusion equation. Adaptive quadtree grids are able to focus on regions of interest such as pollutant fronts, while retaining economy in the total number of grid elements through selective grid refinement. Advection is treated using Lagrangian particle tracking. Diffusion is solved separately using two grid-based methods; one is by explicit finite differences, the other a diffusion-velocity approach. Results are given in two dimensions for pure diffusion of an initially Gaussian plume, advection-diffusion of the Gaussian plume in the rotating flow field of a forced vortex, and the transport of species in a rectangular channel with side wall boundary layers. Close agreement is achieved with analytical solutions of the advection-diffusion equation and simulations from a Lagrangian random walk model. An application to Sepetiba Bay, Brazil is included to demonstrate the method with complex flows and topography.

  19. Relativistic derivation of the ponderomotive force produced by two intense laser fields

    International Nuclear Information System (INIS)

    Stroscio, M.A.

    1985-01-01

    The ponderomotive force plays a fundamental role in the absorption of laser light on self-consistent plasma density profiles, in multiple-photon ionization, and in intense field electrodynamics. The relativistic corrections to the ponderomotive force of a transversely polarized electromagnetic wave lead to an approximately 20-percent reduction in the single particle ponderomotive force produced by a 10-γm 10 16 -W/cm 2 laser field. Recent experimental investigations are based on using two intense laser fields to produce desired lasermatter interactions. This paper presents the first derivation of the nonlinear relativistic ponderomotive force produced by two intense laser fields. The results demonstrate that relativistic ponderomotive forces are not additive

  20. Ehrenfest force in inhomogeneous magnetic field

    International Nuclear Information System (INIS)

    Sisakyan, A.N.; Shevchenko, O.Yu.; Samojlov, V.N.

    2000-01-01

    The Ehrenfest force in an inhomogeneous magnetic field is calculated. It is shown that there exist such (very rare) topologically nontrivial physical situations when the Gauss theorem in its classic formulation fails and, as a consequence, apart from the usual Lorentz force an additional, purely imaginary force acts on the charged particle. This force arises only in inhomogeneous magnetic fields of special configurations, has a purely quantum origin, and disappears in the classical limit

  1. Mapping the force field of a hydrogen-bonded assembly

    Science.gov (United States)

    Sweetman, A. M.; Jarvis, S. P.; Sang, Hongqian; Lekkas, I.; Rahe, P.; Wang, Yu; Wang, Jianbo; Champness, N. R.; Kantorovich, L.; Moriarty, P.

    2014-05-01

    Hydrogen bonding underpins the properties of a vast array of systems spanning a wide variety of scientific fields. From the elegance of base pair interactions in DNA to the symmetry of extended supramolecular assemblies, hydrogen bonds play an essential role in directing intermolecular forces. Yet fundamental aspects of the hydrogen bond continue to be vigorously debated. Here we use dynamic force microscopy (DFM) to quantitatively map the tip-sample force field for naphthalene tetracarboxylic diimide molecules hydrogen-bonded in two-dimensional assemblies. A comparison of experimental images and force spectra with their simulated counterparts shows that intermolecular contrast arises from repulsive tip-sample interactions whose interpretation can be aided via an examination of charge density depletion across the molecular system. Interpreting DFM images of hydrogen-bonded systems therefore necessitates detailed consideration of the coupled tip-molecule system: analyses based on intermolecular charge density in the absence of the tip fail to capture the essential physical chemistry underpinning the imaging mechanism.

  2. Magnetic Field Equivalent Current Analysis-Based Radial Force Control for Bearingless Permanent Magnet Synchronous Motors

    Directory of Open Access Journals (Sweden)

    Huangqiu Zhu

    2015-05-01

    Full Text Available Bearingless permanent magnet synchronous motors (BPMSMs, with all advantages of permanent magnet motors (PMSMs and magnetic bearings, have become an important research direction in the bearingless motor field. To realize a stable suspension for the BPMSM, accurate decoupling control between the electromagnetic torque and radial suspension force is indispensable. In this paper, a concise and reliable analysis method based on a magnetic field equivalent current is presented. By this analysis method, the operation principle is analyzed theoretically, and the necessary conditions to produce a stable radial suspension force are confirmed. In addition, mathematical models of the torque and radial suspension force are established which is verified by the finite element analysis (FEA software ANSYS. Finally, an experimental prototype of a 2-4 poles surface-mounted BPMSM is tested with the customized control strategy. The simulation and experimental results have shown that the motor has good rotation and suspension performance, and validated the accuracy of the proposed analysis method and the feasibility of the control strategy.

  3. Modeling and Grid impedance Variation Analysis of Parallel Connected Grid Connected Inverter based on Impedance Based Harmonic Analysis

    DEFF Research Database (Denmark)

    Kwon, JunBum; Wang, Xiongfei; Bak, Claus Leth

    2014-01-01

    This paper addresses the harmonic compensation error problem existing with parallel connected inverter in the same grid interface conditions by means of impedance-based analysis and modeling. Unlike the single grid connected inverter, it is found that multiple parallel connected inverters and grid...... impedance can make influence to each other if they each have a harmonic compensation function. The analysis method proposed in this paper is based on the relationship between the overall output impedance and input impedance of parallel connected inverter, where controller gain design method, which can...

  4. Ecosystem Based Business Model of Smart Grid

    DEFF Research Database (Denmark)

    Lundgaard, Morten Raahauge; Ma, Zheng; Jørgensen, Bo Nørregaard

    2015-01-01

    This paper tries to investigate the ecosystem based business model in a smart grid infrastructure and the potential of value capture in the highly complex macro infrastructure such as smart grid. This paper proposes an alternative perspective to study the smart grid business ecosystem to support...... the infrastructural challenges, such as the interoperability of business components for smart grid. So far little research has explored the business ecosystem in the smart grid concept. The study on the smart grid with the theory of business ecosystem may open opportunities to understand market catalysts. This study...... contributes an understanding of business ecosystem applicable for smart grid. Smart grid infrastructure is an intricate business ecosystem, which have several intentions to deliver the value proposition and what it should be. The findings help to identify and capture value from markets....

  5. Grid generation methods

    CERN Document Server

    Liseikin, Vladimir D

    2010-01-01

    This book is an introduction to structured and unstructured grid methods in scientific computing, addressing graduate students, scientists as well as practitioners. Basic local and integral grid quality measures are formulated and new approaches to mesh generation are reviewed. In addition to the content of the successful first edition, a more detailed and practice oriented description of monitor metrics in Beltrami and diffusion equations is given for generating adaptive numerical grids. Also, new techniques developed by the author are presented, in particular a technique based on the inverted form of Beltrami’s partial differential equations with respect to control metrics. This technique allows the generation of adaptive grids for a wide variety of computational physics problems, including grid clustering to given function values and gradients, grid alignment with given vector fields, and combinations thereof. Applications of geometric methods to the analysis of numerical grid behavior as well as grid ge...

  6. Cantilever-based optical interfacial force microscope in liquid using an optical-fiber tip

    Directory of Open Access Journals (Sweden)

    Byung I. Kim

    2013-03-01

    Full Text Available We developed a novel cantilever-based optical interfacial force microscope (COIFM to study molecular interaction in liquid environments. The force sensor was created by attaching a chemically etched optical-fiber tip to the force sensor with UV epoxy, and characterized by imaging on a calibration grid. The performance of the COIFM was then demonstrated by measuring the force between two oxidized silicon surfaces in 1 mM KCl as a function of distance. The result was consistent with previously reported electrical double layer forces, suggesting that a COIFM using an optical-fiber tip is capable of measuring force in a liquid environment.

  7. WebGIS based on semantic grid model and web services

    Science.gov (United States)

    Zhang, WangFei; Yue, CaiRong; Gao, JianGuo

    2009-10-01

    As the combination point of the network technology and GIS technology, WebGIS has got the fast development in recent years. With the restriction of Web and the characteristics of GIS, traditional WebGIS has some prominent problems existing in development. For example, it can't accomplish the interoperability of heterogeneous spatial databases; it can't accomplish the data access of cross-platform. With the appearance of Web Service and Grid technology, there appeared great change in field of WebGIS. Web Service provided an interface which can give information of different site the ability of data sharing and inter communication. The goal of Grid technology was to make the internet to a large and super computer, with this computer we can efficiently implement the overall sharing of computing resources, storage resource, data resource, information resource, knowledge resources and experts resources. But to WebGIS, we only implement the physically connection of data and information and these is far from the enough. Because of the different understanding of the world, following different professional regulations, different policies and different habits, the experts in different field will get different end when they observed the same geographic phenomenon and the semantic heterogeneity produced. Since these there are large differences to the same concept in different field. If we use the WebGIS without considering of the semantic heterogeneity, we will answer the questions users proposed wrongly or we can't answer the questions users proposed. To solve this problem, this paper put forward and experienced an effective method of combing semantic grid and Web Services technology to develop WebGIS. In this paper, we studied the method to construct ontology and the method to combine Grid technology and Web Services and with the detailed analysis of computing characteristics and application model in the distribution of data, we designed the WebGIS query system driven by

  8. Context-Aware Usage-Based Grid Authorization Framework

    Institute of Scientific and Technical Information of China (English)

    CUI Yongquan; HONG Fan; FU Cai

    2006-01-01

    Due to inherent heterogeneity, multi-domain characteristic and highly dynamic nature, authorization is a critical concern in grid computing. This paper proposes a general authorization and access control architecture, grid usage control (GUCON), for grid computing. It's based on the next generation access control mechanism usage control (UCON) model. The GUCON Framework dynamic grants and adapts permission to the subject based on a set of contextual information collected from the system environments; while retaining the authorization by evaluating access requests based on subject attributes, object attributes and requests. In general, GUCON model provides very flexible approaches to adapt the dynamically security request. GUCON model is being implemented in our experiment prototype.

  9. Combination Rules for Morse-Based van der Waals Force Fields.

    Science.gov (United States)

    Yang, Li; Sun, Lei; Deng, Wei-Qiao

    2018-02-15

    In traditional force fields (FFs), van der Waals interactions have been usually described by the Lennard-Jones potentials. Conventional combination rules for the parameters of van der Waals (VDW) cross-termed interactions were developed for the Lennard-Jones based FFs. Here, we report that the Morse potentials were a better function to describe VDW interactions calculated by highly precise quantum mechanics methods. A new set of combination rules was developed for Morse-based FFs, in which VDW interactions were described by Morse potentials. The new set of combination rules has been verified by comparing the second virial coefficients of 11 noble gas mixtures. For all of the mixed binaries considered in this work, the combination rules work very well and are superior to all three other existing sets of combination rules reported in the literature. We further used the Morse-based FF by using the combination rules to simulate the adsorption isotherms of CH 4 at 298 K in four covalent-organic frameworks (COFs). The overall agreement is great, which supports the further applications of this new set of combination rules in more realistic simulation systems.

  10. Transition States from Empirical Force Fields

    DEFF Research Database (Denmark)

    Jensen, Frank; Norrby, Per-Ola

    2003-01-01

    This is an overview of the use of empirical force fields in the study of reaction mechanisms. EVB-type methods (including RFF and MCMM) produce full reaction surfaces by mixing, in the simplest case, known force fields describing reactants and products. The SEAM method instead locates approximate...

  11. TU-H-BRA-03: Performance of a Clinical Gridded Electron Gun in Magnetic Fields: Implications for MRI-Linac Therapy

    International Nuclear Information System (INIS)

    Whelan, B; Keall, P; Bazalova-Carter, M; Oborn, B; Constantin, D; Holloway, L; Fahrig, R

    2016-01-01

    Purpose: Recent advances towards MRI Linac radiotherapy have motivated a wide range of studies characterizing electromagnetic interactions between the two devices. One of the most sensitive components is the linac electron gun. To data, only non gridded (diode) guns have been investigated however, most linac vendors utilize gridded (triode) guns, which enable efficient and robust beam gating. The purpose of this study was to develop a realistic model of a gridded gun used clinically, and to characterize its performance in magnetic fields. Methods: The gridded electron gun used on Varian high energy machines was measured using 3D laser scanning quoted as accurate to 0.1mm. Based on the scane, a detailed CAD mode was developed. From this, key geometry was extracted and a FEM model was developed (Opera/SCALA). Next, the high voltage (HV), grid voltage, and emission current were read from six dose matched TrueBeam linacs for the 6X, 10X and 15X photon modes (0 B-field). The mean values were used to represent each mode, which was simulated I constant magnetic fields from 0–200G in-line, and 0–35G perpendicular. Results: Experimentally measured HV, grid voltage, and emission current from 6X, 10X and 15X modes were respectively: 15±.03kV, 10±.08kV, 11±.03kV; 93±7V, 41±3V, and 70±6V; 327±27mA, 129±10mA, and 214±19mA. The error in simulated emission current of each mode was 3%,6%, and 3%. For in-line fields, 50% beam loss occurred at 114, 96, and 97G; for perpendicular; at 12, 13 and 14G. Sensitivity for a given geometry is primarily determined by HV setting. Conclusion: Future MRI-Linac systems will almost certainly use gridded guns. We present the first model of a clinical gridded gun, and match the experimental emission current to within 6% across three different operating modes. This clinical gun shows increased sensitivity to magnetic fields than previous work,and different modes show different sensitivity.

  12. TU-H-BRA-03: Performance of a Clinical Gridded Electron Gun in Magnetic Fields: Implications for MRI-Linac Therapy

    Energy Technology Data Exchange (ETDEWEB)

    Whelan, B; Keall, P [University of Sydney, Sydney (Australia); Bazalova-Carter, M [University of Victoria, VCH040, Victoria, BC (Australia); Oborn, B [Illawarra Hospital, Wollongong, NSW (Australia); Constantin, D [Varian Medical Systems, Palo Alto, California (United States); Holloway, L [Liverpool Hospital and Ingham Institute, Liverpool, NSW (United Kingdom); Fahrig, R [Siemens Healthcare GmbH, Forchheim (Germany)

    2016-06-15

    Purpose: Recent advances towards MRI Linac radiotherapy have motivated a wide range of studies characterizing electromagnetic interactions between the two devices. One of the most sensitive components is the linac electron gun. To data, only non gridded (diode) guns have been investigated however, most linac vendors utilize gridded (triode) guns, which enable efficient and robust beam gating. The purpose of this study was to develop a realistic model of a gridded gun used clinically, and to characterize its performance in magnetic fields. Methods: The gridded electron gun used on Varian high energy machines was measured using 3D laser scanning quoted as accurate to 0.1mm. Based on the scane, a detailed CAD mode was developed. From this, key geometry was extracted and a FEM model was developed (Opera/SCALA). Next, the high voltage (HV), grid voltage, and emission current were read from six dose matched TrueBeam linacs for the 6X, 10X and 15X photon modes (0 B-field). The mean values were used to represent each mode, which was simulated I constant magnetic fields from 0–200G in-line, and 0–35G perpendicular. Results: Experimentally measured HV, grid voltage, and emission current from 6X, 10X and 15X modes were respectively: 15±.03kV, 10±.08kV, 11±.03kV; 93±7V, 41±3V, and 70±6V; 327±27mA, 129±10mA, and 214±19mA. The error in simulated emission current of each mode was 3%,6%, and 3%. For in-line fields, 50% beam loss occurred at 114, 96, and 97G; for perpendicular; at 12, 13 and 14G. Sensitivity for a given geometry is primarily determined by HV setting. Conclusion: Future MRI-Linac systems will almost certainly use gridded guns. We present the first model of a clinical gridded gun, and match the experimental emission current to within 6% across three different operating modes. This clinical gun shows increased sensitivity to magnetic fields than previous work,and different modes show different sensitivity.

  13. Source evaluation report phase 2 investigation: Limited field investigation. Final report: United States Air Force Environmental Restoration Program, Eielson Air Force Base, Alaska

    Energy Technology Data Exchange (ETDEWEB)

    1994-10-01

    This report describes the limited field investigation work done to address issues and answer unresolved questions regarding a collection of potential contaminant sources at Eielson Air Force Base (AFB), near Fairbanks, Alaska. These sources were listed in the Eielson AFB Federal Facility Agreement supporting the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) cleanup of the base. The limited field investigation began in 1993 to resolve all remaining technical issues and provide the data and analysis required to evaluate the environmental hazard associated with these sites. The objective of the limited field investigation was to allow the remedial project managers to sort each site into one of three categories: requiring remedial investigation/feasibility study, requiring interim removal action, or requiring no further remedial action.

  14. Force-free field model of ball lightning

    International Nuclear Information System (INIS)

    Tsui, K.H.

    2001-01-01

    Due to the nature that the force-free magnetic field, whose current carried by the conducting plasma is everywhere parallel to the magnetic field it generates, is the minimum energy configuration under the constraint of magnetic helicity conservation, ball lightning is considered as a self-organized phenomenon with a plasma fireball immersed in a spherical force-free magnetic field. Since this field does not exert force on the plasma, the plasma pressure, by itself, is in equilibrium with the surrounding environment, and the force-free magnetic field can take on any value without affecting the plasma. Due to this second feature, singular solutions of the magnetic field that are otherwise excluded are allowed, which enable a large amount of energy to be stored to sustain the ball lightning. The singularity is truncated only by the physical limit of current density that a plasma can carry. Scaling the customary soccer-size fireball to larger dimensions could account for day and night sightings of luminous objects in the sky

  15. Magnetic field extraction of trap-based electron beams using a high-permeability grid

    International Nuclear Information System (INIS)

    Hurst, N. C.; Danielson, J. R.; Surko, C. M.

    2015-01-01

    A method to form high quality electrostatically guided lepton beams is explored. Test electron beams are extracted from tailored plasmas confined in a Penning-Malmberg trap. The particles are then extracted from the confining axial magnetic field by passing them through a high magnetic permeability grid with radial tines (a so-called “magnetic spider”). An Einzel lens is used to focus and analyze the beam properties. Numerical simulations are used to model non-adiabatic effects due to the spider, and the predictions are compared with the experimental results. Improvements in beam quality are discussed relative to the use of a hole in a high permeability shield (i.e., in lieu of the spider), and areas for further improvement are described

  16. Perspective: Ab initio force field methods derived from quantum mechanics

    Science.gov (United States)

    Xu, Peng; Guidez, Emilie B.; Bertoni, Colleen; Gordon, Mark S.

    2018-03-01

    It is often desirable to accurately and efficiently model the behavior of large molecular systems in the condensed phase (thousands to tens of thousands of atoms) over long time scales (from nanoseconds to milliseconds). In these cases, ab initio methods are difficult due to the increasing computational cost with the number of electrons. A more computationally attractive alternative is to perform the simulations at the atomic level using a parameterized function to model the electronic energy. Many empirical force fields have been developed for this purpose. However, the functions that are used to model interatomic and intermolecular interactions contain many fitted parameters obtained from selected model systems, and such classical force fields cannot properly simulate important electronic effects. Furthermore, while such force fields are computationally affordable, they are not reliable when applied to systems that differ significantly from those used in their parameterization. They also cannot provide the information necessary to analyze the interactions that occur in the system, making the systematic improvement of the functional forms that are used difficult. Ab initio force field methods aim to combine the merits of both types of methods. The ideal ab initio force fields are built on first principles and require no fitted parameters. Ab initio force field methods surveyed in this perspective are based on fragmentation approaches and intermolecular perturbation theory. This perspective summarizes their theoretical foundation, key components in their formulation, and discusses key aspects of these methods such as accuracy and formal computational cost. The ab initio force fields considered here were developed for different targets, and this perspective also aims to provide a balanced presentation of their strengths and shortcomings. Finally, this perspective suggests some future directions for this actively developing area.

  17. Atomistic Force Field for Pyridinium-Based Ionic Liquids: Reliable Transport Properties

    DEFF Research Database (Denmark)

    Voroshylova, I. V.; Chaban, V. V.

    2014-01-01

    Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations. This work introduces refined FF parameters for six popular ionic liquids (ILs) of the pyridinium family (butylpyridinium tetrafluoroborate, bis(trifluoromethanesulfonyl)......Reliable force field (FF) is a central issue in successful prediction of physical chemical properties via computer simulations. This work introduces refined FF parameters for six popular ionic liquids (ILs) of the pyridinium family (butylpyridinium tetrafluoroborate, bis......(trifluoromethanesulfonyl)imide, dicyanamide, hexafluorophosphate, triflate, chloride). We elaborate a systematic procedure, which allows accounting for specific cationanion interactions in the liquid phase. Once these interactions are described accurately, all experimentally determined transport properties can be reproduced. We prove...... and elevated temperature. The developed atomistic models provide a systematic refinement upon the well-known Canongia LopesPadua (CL&P) FF. Together with the original CL&P parameters the present models foster a computational investigation of ionic liquids....

  18. Research and design of smart grid monitoring control via terminal based on iOS system

    Science.gov (United States)

    Fu, Wei; Gong, Li; Chen, Heli; Pan, Guangji

    2017-06-01

    Aiming at a series of problems existing in current smart grid monitoring Control Terminal, such as high costs, poor portability, simple monitoring system, poor software extensions, low system reliability when transmitting information, single man-machine interface, poor security, etc., smart grid remote monitoring system based on the iOS system has been designed. The system interacts with smart grid server so that it can acquire grid data through WiFi/3G/4G networks, and monitor each grid line running status, as well as power plant equipment operating conditions. When it occurs an exception in the power plant, incident information can be sent to the user iOS terminal equipment timely, which will provide troubleshooting information to help the grid staff to make the right decisions in a timely manner, to avoid further accidents. Field tests have shown the system realizes the integrated grid monitoring functions, low maintenance cost, friendly interface, high security and reliability, and it possesses certain applicable value.

  19. Near field plasmon and force microscopy

    OpenAIRE

    de Hollander, R.B.G.; van Hulst, N.F.; Kooyman, R.P.H.

    1995-01-01

    A scanning plasmon near field optical microscope (SPNM) is presented which combines a conventional far field surface plasmon microscope with a stand-alone atomic force microscope (AFM). Near field plasmon and force images are recorded simultaneously both with a lateral resolution limited by the probe size to about 20 nm. At variance to previous work, utilizing a scanning tunneling microscope (STM) with a metallic tip, a dielectric silicon-nitride tip is used in contact mode. This arrangement ...

  20. Novel concepts in near-field optics: from magnetic near-field to optical forces

    Science.gov (United States)

    Yang, Honghua

    Driven by the progress in nanotechnology, imaging and spectroscopy tools with nanometer spatial resolution are needed for in situ material characterizations. Near-field optics provides a unique way to selectively excite and detect elementary electronic and vibrational interactions at the nanometer scale, through interactions of light with matter in the near-field region. This dissertation discusses the development and applications of near-field optical imaging techniques, including plasmonic material characterization, optical spectral nano-imaging and magnetic field detection using scattering-type scanning near-field optical microscopy (s-SNOM), and exploring new modalities of optical spectroscopy based on optical gradient force detection. Firstly, the optical dielectric functions of one of the most common plasmonic materials---silver is measured with ellipsometry, and analyzed with the Drude model over a broad spectral range from visible to mid-infrared. This work was motivated by the conflicting results of previous measurements, and the need for accurate values for a wide range of applications of silver in plasmonics, optical antennas, and metamaterials. This measurement provides a reference for dielectric functions of silver used in metamaterials, plasmonics, and nanophotonics. Secondly, I implemented an infrared s-SNOM instrument for spectroscopic nano-imaging at both room temperature and low temperature. As one of the first cryogenic s-SNOM instruments, the novel design concept and key specifications are discussed. Initial low-temperature and high-temperature performances of the instrument are examined by imaging of optical conductivity of vanadium oxides (VO2 and V2O 3) across their phase transitions. The spectroscopic imaging capability is demonstrated on chemical vibrational resonances of Poly(methyl methacrylate) (PMMA) and other samples. The third part of this dissertation explores imaging of optical magnetic fields. As a proof-of-principle, the magnetic

  1. GENECODIS-Grid: An online grid-based tool to predict functional information in gene lists

    International Nuclear Information System (INIS)

    Nogales, R.; Mejia, E.; Vicente, C.; Montes, E.; Delgado, A.; Perez Griffo, F. J.; Tirado, F.; Pascual-Montano, A.

    2007-01-01

    In this work we introduce GeneCodis-Grid, a grid-based alternative to a bioinformatics tool named Genecodis that integrates different sources of biological information to search for biological features (annotations) that frequently co-occur in a set of genes and rank them by statistical significance. GeneCodis-Grid is a web-based application that takes advantage of two independent grid networks and a computer cluster managed by a meta-scheduler and a web server that host the application. The mining of concurrent biological annotations provides significant information for the functional analysis of gene list obtained by high throughput experiments in biology. Due to the large popularity of this tool, that has registered more than 13000 visits since its publication in January 2007, there is a strong need to facilitate users from different sites to access the system simultaneously. In addition, the complexity of some of the statistical tests used in this approach has made this technique a good candidate for its implementation in a Grid opportunistic environment. (Author)

  2. A gridding method for object-oriented PIC codes

    International Nuclear Information System (INIS)

    Gisler, G.; Peter, W.; Nash, H.; Acquah, J.; Lin, C.; Rine, D.

    1993-01-01

    A simple, rule-based gridding method for object-oriented PIC codes is described which is not only capable of dealing with complicated structures such as multiply-connected regions, but is also computationally faster than classical gridding techniques. Using, these smart grids, vacant cells (e.g., cells enclosed by conductors) will never have to be stored or calculated, thus avoiding the usual situation of having to zero electromagnetic fields within conductors after valuable cpu time has been spent in calculating the fields within these cells in the first place. This object-oriented gridding technique makes use of encapsulating characteristics of actual physical objects (particles, fields, grids, etc.) in C ++ classes and supporting software reuse of these entities through C ++ class inheritance relations. It has been implemented in the form of a simple two-dimensional plasma particle-in-cell code, and forms the initial effort of an AFOSR research project to develop a flexible software simulation environment for particle-in-cell algorithms based on object-oriented technology

  3. Beyond grid security

    International Nuclear Information System (INIS)

    Hoeft, B; Epting, U; Koenig, T

    2008-01-01

    While many fields relevant to Grid security are already covered by existing working groups, their remit rarely goes beyond the scope of the Grid infrastructure itself. However, security issues pertaining to the internal set-up of compute centres have at least as much impact on Grid security. Thus, this talk will present briefly the EU ISSeG project (Integrated Site Security for Grids). In contrast to groups such as OSCT (Operational Security Coordination Team) and JSPG (Joint Security Policy Group), the purpose of ISSeG is to provide a holistic approach to security for Grid computer centres, from strategic considerations to an implementation plan and its deployment. The generalised methodology of Integrated Site Security (ISS) is based on the knowledge gained during its implementation at several sites as well as through security audits, and this will be briefly discussed. Several examples of ISS implementation tasks at the Forschungszentrum Karlsruhe will be presented, including segregation of the network for administration and maintenance and the implementation of Application Gateways. Furthermore, the web-based ISSeG training material will be introduced. This aims to offer ISS implementation guidance to other Grid installations in order to help avoid common pitfalls

  4. Thermodynamic properties for applications in chemical industry via classical force fields.

    Science.gov (United States)

    Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

    2012-01-01

    Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

  5. Martini Coarse-Grained Force Field : Extension to DNA

    NARCIS (Netherlands)

    Uusitalo, Jaakko J.; Ingolfsson, Helgi I.; Akhshi, Parisa; Tieleman, D. Peter; Marrink, Siewert J.

    We systematically parameterized a coarsegrained (CG) model for DNA that is compatible with the Martini force field. The model maps each nucleotide into six to seven CG beads and is parameterized following the Martini philosophy. The CG nonbonded interactions are based on partitioning of the

  6. Magnetic field sensor based on the Ampere's force using dual-polarization DBR fiber laser

    Science.gov (United States)

    Yao, Shuang; Zhang, Yang; Guan, Baiou

    2015-08-01

    A novel magnetic field sensor using distributed Bragg reflector (DBR) fiber laser by Ampere's force effect is proposed and experimentally demonstrated. The key sensing element, that is the dual-polarization DBR fiber laser, is fixed on the middle part of two copper plates which carry the current. Ampere's force is applied onto the coppers due to an external magnetic field generated by a DC solenoid. Thus, the lateral force from the coppers is converted to a corresponding beat frequency signal shift produced by the DBR laser. The electric current sensing is also realized by the same configuration and same principle simultaneously in an intuitive manner. Good agreement between the theory calculation and the experimental results is obtained, which shows a good linearity. This sensor's sensitivity to the magnetic field and to the electric current finally reaches ~258.92 kHz/mT and ~1.08727 MHz/A, respectively.

  7. Artificial force fields for multi-agent simulations of maritime traffic and risk estimation

    NARCIS (Netherlands)

    Xiao, F.; Ligteringen, H.; Van Gulijk, C.; Ale, B.J.M.

    2012-01-01

    A probabilistic risk model is designed to estimate probabilities of collisions for shipping accidents in busy waterways. We propose a method based on multi-agent simulation that uses an artificial force field to model ship maneuvers. The artificial force field is calibrated by AIS data (Automatic

  8. Adaptive Micro-Grid Operation Based on IEC 61850

    Directory of Open Access Journals (Sweden)

    Wei Deng

    2015-05-01

    Full Text Available Automatically identifying the new equipment after its integration and adjusting operation strategy to realize “plug and play” functionality are becoming essential for micro-grid operations. In order to improve and perfect the micro-grid “plug and play” function with the increased amount of equipment with different information protocols and more diverse system applications, this paper presents a solution for adaptive micro-grid operation based on IEC 61850, and proposes the design and specific implementation methods of micro-grid “plug and play” function and system operation mode conversion in detail, by using the established IEC 61850 information model of a micro-grid. Actual operation tests based on the developed IED and micro-grid test platform are performed to verify the feasibility and validity of the proposed solution. The tests results show that the solution can automatically identify the IEC 61850 information model of equipment after its integration, intelligently adjust the operation strategies to adapt to new system states and achieves a reliable system operation mode conversion.

  9. Operation of an InGrid based X-ray detector at the CAST experiment

    Science.gov (United States)

    Krieger, Christoph; Desch, Klaus; Kaminski, Jochen; Lupberger, Michael

    2018-02-01

    The CERN Axion Solar Telescope (CAST) is searching for axions and other particles which could be candidates for DarkMatter and even Dark Energy. These particles could be produced in the Sun and detected by a conversion into soft X-ray photons inside a strong magnetic field. In order to increase the sensitivity for physics beyond the Standard Model, detectors with a threshold below 1 keV as well as efficient background rejection methods are required to compensate for low energies and weak couplings resulting in very low detection rates. Those criteria are fulfilled by a detector utilizing the combination of a pixelized readout chip with an integrated Micromegas stage. These InGrid (Integrated Grid) devices can be build by photolithographic postprocessing techniques, resulting in a close to perfect match of grid and pixels facilitating the detection of single electrons on the chip surface. The high spatial resolution allows for energy determination by simple electron counting as well as for an event-shape based analysis as background rejection method. Tests at an X-ray generator revealed the energy threshold of an InGrid based X-ray detector to be well below the carbon Kα line at 277 eV. After the successful demonstration of the detectors key features, the detector was mounted at one of CAST's four detector stations behind an X-ray telescope in 2014. After several months of successful operation without any detector related interruptions, the InGrid based X-ray detector continues data taking at CAST in 2015. During operation at the experiment, background rates in the order of 10-5 keV-1 cm-2 s-1 have been achieved by application of a likelihood based method discriminating the non-photon background originating mostly from cosmic rays. For continued operation in 2016, an upgraded InGrid based detector is to be installed among other improvements including decoupling and sampling of the signal induced on the grid as well as a veto scintillator to further lower the

  10. The force analysis for superparamagnetic nanoparticles-based gene delivery in an oscillating magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Jiajia [State Key Laboratory of Electrical Insulation and Power Equipment, Xi’an Jiaotong University, No. 28 Xianning West Road, Xi’an, Shaanxi Province 710049 (China); Shi, Zongqian, E-mail: zqshi@mail.xjtu.edu.cn [State Key Laboratory of Electrical Insulation and Power Equipment, Xi’an Jiaotong University, No. 28 Xianning West Road, Xi’an, Shaanxi Province 710049 (China); Jia, Shenli [State Key Laboratory of Electrical Insulation and Power Equipment, Xi’an Jiaotong University, No. 28 Xianning West Road, Xi’an, Shaanxi Province 710049 (China); Zhang, Pengbo [Department of Anesthesiology, Second Affiliated Hospital of Xi’an Jiaotong University School of Medicine, No.157 West 5 Road, Xi’an, Shaanxi Province 710004 (China)

    2017-04-01

    Due to the peculiar magnetic properties and the ability to function in cell-level biological interaction, superparamagnetic nanoparticles (SMNP) have been being the attractive carrier for gene delivery. The superparamagnetic nanoparticles with surface-bound gene vector can be attracted to the surface of cells by the Kelvin force provided by external magnetic field. In this article, the influence of the oscillating magnetic field on the characteristics of magnetofection is studied in terms of the magnetophoretic velocity. The magnetic field of a cylindrical permanent magnet is calculated by equivalent current source (ECS) method, and the Kelvin force is derived by using the effective moment method. The results show that the static magnetic field accelerates the sedimentation of the particles, and drives the particles inward towards the axis of the magnet. Based on the investigation of the magnetophoretic velocity of the particle under horizontally oscillating magnetic field, an oscillating velocity within the amplitude of the magnet oscillation is observed. Furthermore, simulation results indicate that the oscillating amplitude plays an important role in regulating the active region, where the particles may present oscillating motion. The analysis of the magnetophoretic velocity gives us an insight into the physical mechanism of the magnetofection. It's also helpful to the optimal design of the magnetofection system. - Highlights: • We compare the results of the ECS method and FEA method with the commercial software, Ansys. • We analyze the physic mechanism of the oscillating motion of the particles in the presence of an oscillating magnet. • We discuss the influence of the oscillating amplitude of the magnet on the behavior of the particle.

  11. Harmonic force field for nitro compounds.

    Science.gov (United States)

    Bellido, Edson P; Seminario, Jorge M

    2012-06-01

    Molecular simulations leading to sensors for the detection of explosive compounds require force field parameters that can reproduce the mechanical and vibrational properties of energetic materials. We developed precise harmonic force fields for alanine polypeptides and glycine oligopeptides using the FUERZA procedure that uses the Hessian tensor (obtained from ab initio calculations) to calculate precise parameters. In this work, we used the same procedure to calculate generalized force field parameters of several nitro compounds. We found a linear relationship between force constant and bond distance. The average angle in the nitro compounds was 116°, excluding the 90° angle of the carbon atoms in the octanitrocubane. The calculated parameters permitted the accurate molecular modeling of nitro compounds containing many functional groups. Results were acceptable when compared with others obtained using methods that are specific for one type of molecule, and much better than others obtained using methods that are too general (these ignore the chemical effects of surrounding atoms on the bonding and therefore the bond strength, which affects the mechanical and vibrational properties of the whole molecule).

  12. A disruptive approach for a green field smart grid installation

    Energy Technology Data Exchange (ETDEWEB)

    Bishnoi, Peeush [Siemens Technology and Services Pvt. Ltd., Bangalore (India); Klein, Wolfram; Kuntschke, Richard; Speh, Rainer; Waszak, Michal-Wolfgang [Siemens AG, Muenchen (Germany)

    2012-07-01

    The current trend towards increasingly decentralized power generation including renewable generation such as photovoltaic or wind power calls for a new concept for future power supply systems. The future power grid has to incorporate numerous distributed and comparatively small-sized generation facilities in addition to the larger centralized power plants currently in operation. Consumers will turn into prosumers that consume as well as produce electrical power. Thus, power will no longer flow exclusively from power plants to consumers such as households and industrial plants, but also between consumers, requiring new solutions, e.g., for protection within the power grid. In this paper, we propose a disruptive approach for a green field smart grid installation solving the issues arising from the increasing use of decentralized power generation. The new power supply system proposed can handle up to 100 % of volatile renewable generation and allows dynamic growth of the power grid with little effort. It is therefore suitable for building up new power supply systems in previously non-electrified regions, e.g., in rural areas in developing countries. At the same time, the system also offers solutions for the issues arising from the advent of the new energy age in developed countries. (orig.)

  13. Numerical analysis of the spacer grids' compression strength

    International Nuclear Information System (INIS)

    Schettino, C.F.M.; Gouvea, J.P.; Medeiros, N.

    2013-01-01

    Among the components of the fuel assembly, the spacer grids play an important structural role during the energy generation process, mainly for their requirement to have enough structural strength to withstand lateral impact loads, due to fuel assembly shipping/handling and due to forces outcome from postulated accidents (earthquake and LOCA). This requirement ensures a proper geometry for cooling and for guide thimble straightness in the fuel assembly. In this way, the understanding of the macroscopic mechanical behavior of this component becomes essential even to any subsequent geometrical modifications to optimize the flue assemblies' structural behavior. In the present work, three-dimensional finite element models destined to provide consistent predictions of 16X16-type spacer grids lateral strength were proposed. Firstly, buckling tests based on results available in the literature were performed to establish a methodology for spacer grid finite element-based modeling. The, by considering a spacer grid interesting geometry and some possible variations associated to its fabrication, tolerance, the proposed numerical models were submitted to compression conditions to calculate the buckling force. Also, these models were validated for comparison with experimental buckling load results. Comparison of buckling predictions combined to observations of actual and simulated deformed spacer grids geometries permitted to verify the consistency and applicability of the proposed models. Thus, these numerical results show a good agreement between the and the experimental results. (author)

  14. Balancing the Interactions of Ions, Water, and DNA in the Drude Polarizable Force Field

    OpenAIRE

    Savelyev, Alexey; MacKerell, Alexander D.

    2014-01-01

    Recently we presented a first-generation all-atom Drude polarizable force field for DNA based on the classical Drude oscillator model, focusing on optimization of key dihedral angles followed by extensive validation of the force field parameters. Presently, we describe the procedure for balancing the electrostatic interactions between ions, water, and DNA as required for development of the Drude force field for DNA. The proper balance of these interactions is shown to impact DNA stability and...

  15. A new force field including charge directionality for TMAO in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Usui, Kota; Nagata, Yuki, E-mail: sulpizi@uni-mainz.de, E-mail: nagata@mpip-mainz.mpg.de; Hunger, Johannes; Bonn, Mischa [Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Sulpizi, Marialore, E-mail: sulpizi@uni-mainz.de, E-mail: nagata@mpip-mainz.mpg.de [Johannes Gutenberg University Mainz, Staudingerweg 7, 55099 Mainz (Germany)

    2016-08-14

    We propose a new force field for trimethylamine N-oxide (TMAO), which is designed to reproduce the long-lived and highly directional hydrogen bond between the TMAO oxygen (O{sub TMAO}) atom and surrounding water molecules. Based on the data obtained by ab initio molecular dynamics simulations, we introduce three dummy sites around O{sub TMAO} to mimic the O{sub TMAO} lone pairs and we migrate the negative charge on the O{sub TMAO} to the dummy sites. The force field model developed here improves both structural and dynamical properties of aqueous TMAO solutions. Moreover, it reproduces the experimentally observed dependence of viscosity upon increasing TMAO concentration quantitatively. The simple procedure of the force field construction makes it easy to implement in molecular dynamics simulation packages and makes it compatible with the existing biomolecular force fields. This paves the path for further investigation of protein-TMAO interaction in aqueous solutions.

  16. A new force field including charge directionality for TMAO in aqueous solution

    International Nuclear Information System (INIS)

    Usui, Kota; Nagata, Yuki; Hunger, Johannes; Bonn, Mischa; Sulpizi, Marialore

    2016-01-01

    We propose a new force field for trimethylamine N-oxide (TMAO), which is designed to reproduce the long-lived and highly directional hydrogen bond between the TMAO oxygen (O TMAO ) atom and surrounding water molecules. Based on the data obtained by ab initio molecular dynamics simulations, we introduce three dummy sites around O TMAO to mimic the O TMAO lone pairs and we migrate the negative charge on the O TMAO to the dummy sites. The force field model developed here improves both structural and dynamical properties of aqueous TMAO solutions. Moreover, it reproduces the experimentally observed dependence of viscosity upon increasing TMAO concentration quantitatively. The simple procedure of the force field construction makes it easy to implement in molecular dynamics simulation packages and makes it compatible with the existing biomolecular force fields. This paves the path for further investigation of protein-TMAO interaction in aqueous solutions.

  17. Rigorous force field optimization principles based on statistical distance minimization

    Energy Technology Data Exchange (ETDEWEB)

    Vlcek, Lukas, E-mail: vlcekl1@ornl.gov [Chemical Sciences Division, Geochemistry & Interfacial Sciences Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110 (United States); Joint Institute for Computational Sciences, University of Tennessee, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6173 (United States); Chialvo, Ariel A. [Chemical Sciences Division, Geochemistry & Interfacial Sciences Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110 (United States)

    2015-10-14

    We use the concept of statistical distance to define a measure of distinguishability between a pair of statistical mechanical systems, i.e., a model and its target, and show that its minimization leads to general convergence of the model’s static measurable properties to those of the target. We exploit this feature to define a rigorous basis for the development of accurate and robust effective molecular force fields that are inherently compatible with coarse-grained experimental data. The new model optimization principles and their efficient implementation are illustrated through selected examples, whose outcome demonstrates the higher robustness and predictive accuracy of the approach compared to other currently used methods, such as force matching and relative entropy minimization. We also discuss relations between the newly developed principles and established thermodynamic concepts, which include the Gibbs-Bogoliubov inequality and the thermodynamic length.

  18. On the influence of cloud fraction diurnal cycle and sub-grid cloud optical thickness variability on all-sky direct aerosol radiative forcing

    International Nuclear Information System (INIS)

    Min, Min; Zhang, Zhibo

    2014-01-01

    The objective of this study is to understand how cloud fraction diurnal cycle and sub-grid cloud optical thickness variability influence the all-sky direct aerosol radiative forcing (DARF). We focus on the southeast Atlantic region where transported smoke is often observed above low-level water clouds during burning seasons. We use the CALIOP observations to derive the optical properties of aerosols. We developed two diurnal cloud fraction variation models. One is based on sinusoidal fitting of MODIS observations from Terra and Aqua satellites. The other is based on high-temporal frequency diurnal cloud fraction observations from SEVIRI on board of geostationary satellite. Both models indicate a strong cloud fraction diurnal cycle over the southeast Atlantic region. Sensitivity studies indicate that using a constant cloud fraction corresponding to Aqua local equatorial crossing time (1:30 PM) generally leads to an underestimated (less positive) diurnal mean DARF even if solar diurnal variation is considered. Using cloud fraction corresponding to Terra local equatorial crossing time (10:30 AM) generally leads overestimation. The biases are a typically around 10–20%, but up to more than 50%. The influence of sub-grid cloud optical thickness variability on DARF is studied utilizing the cloud optical thickness histogram available in MODIS Level-3 daily data. Similar to previous studies, we found the above-cloud smoke in the southeast Atlantic region has a strong warming effect at the top of the atmosphere. However, because of the plane-parallel albedo bias the warming effect of above-cloud smoke could be significantly overestimated if the grid-mean, instead of the full histogram, of cloud optical thickness is used in the computation. This bias generally increases with increasing above-cloud aerosol optical thickness and sub-grid cloud optical thickness inhomogeneity. Our results suggest that the cloud diurnal cycle and sub-grid cloud variability are important factors

  19. Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview.

    Science.gov (United States)

    Riniker, Sereina

    2018-03-26

    In molecular dynamics or Monte Carlo simulations, the interactions between the particles (atoms) in the system are described by a so-called force field. The empirical functional form of classical fixed-charge force fields dates back to 1969 and remains essentially unchanged. In a fixed-charge force field, the polarization is not modeled explicitly, i.e. the effective partial charges do not change depending on conformation and environment. This simplification allows, however, a dramatic reduction in computational cost compared to polarizable force fields and in particular quantum-chemical modeling. The past decades have shown that simulations employing carefully parametrized fixed-charge force fields can provide useful insights into biological and chemical questions. This overview focuses on the four major force-field families, i.e. AMBER, CHARMM, GROMOS, and OPLS, which are based on the same classical functional form and are continuously improved to the present day. The overview is aimed at readers entering the field of (bio)molecular simulations. More experienced users may find the comparison and historical development of the force-field families interesting.

  20. A test on reactive force fields for the study of silica dimerization reactions

    Energy Technology Data Exchange (ETDEWEB)

    Moqadam, Mahmoud; Riccardi, Enrico; Trinh, Thuat T.; Åstrand, Per-Olof; Erp, Titus S. van, E-mail: titus.van.erp@ntnu.no [Department of Chemistry, Norwegian University of Science and Technology (NTNU), Høgskoleringen 5, Realfagbygget D3-117, 7491 Trondheim (Norway)

    2015-11-14

    We studied silica dimerization reactions in the gas and aqueous phase by density functional theory (DFT) and reactive force fields based on two parameterizations of ReaxFF. For each method (both ReaxFF force fields and DFT), we performed constrained geometry optimizations, which were subsequently evaluated in single point energy calculations using the other two methods. Standard fitting procedures typically compare the force field energies and geometries with those from quantum mechanical data after a geometry optimization. The initial configurations for the force field optimization are usually the minimum energy structures of the ab initio database. Hence, the ab initio method dictates which structures are being examined and force field parameters are being adjusted in order to minimize the differences with the ab initio data. As a result, this approach will not exclude the possibility that the force field predicts stable geometries or low transition states which are realistically very high in energy and, therefore, never considered by the ab initio method. Our analysis reveals the existence of such unphysical geometries even at unreactive conditions where the distance between the reactants is large. To test the effect of these discrepancies, we launched molecular dynamics simulations using DFT and ReaxFF and observed spurious reactions for both ReaxFF force fields. Our results suggest that the standard procedures for parameter fitting need to be improved by a mutual comparative method.

  1. Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

    Science.gov (United States)

    Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

    2016-12-12

    For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. A novel patch-field design using an optimized grid filter for passively scattered proton beams

    International Nuclear Information System (INIS)

    Li Yupeng; Zhang Xiaodong; Dong Lei; Mohan, Radhe

    2007-01-01

    For tumors with highly complex shapes, a 'patching' strategy is often used in passively scattered proton therapy to match the sharp distal edge of the spread-out Bragg peak (SOBP) of the patch field to the lateral penumbra of the through field at 50% dose level. The differences in the dose gradients at the distal edge and at the lateral penumbra could cause hot and cold doses at the junction. In this note, we describe an algorithm developed to optimize the range compensator design to yield a more uniform dose distribution at the junction. The algorithm is based on the fact that the distal fall-off of the SOBP can be tailored using a grid filter that is placed perpendicular to the beam's path. The filter is optimized so that the distal fall-off of the patch field complements the lateral penumbra fall-off of the through field. In addition to optimizing the fall-off, the optimization process implicitly accounts for the limitations of conventional compensator design algorithms. This algorithm uses simple ray tracing to determine the compensator shape and ignore scatter. The compensated dose distribution may therefore differ substantially from the intended dose distribution, especially when complex heterogeneities are encountered, such as those in the head and neck. In such a case, an adaptive optimization strategy can be used to optimize the 'grid' filter locally considering the tissue heterogeneities. The grid filter thus obtained is superimposed on the original range compensator so that the composite compensator leads to a more uniform dose distribution at the patch junction. An L-shaped head and neck tumor was used to demonstrate the validity of the proposed algorithm. A robustness analysis with focus on range uncertainty effect is carried out. (note)

  3. Optimal usage of computing grid network in the fields of nuclear fusion computing task

    International Nuclear Information System (INIS)

    Tenev, D.

    2006-01-01

    Nowadays the nuclear power becomes the main source of energy. To make its usage more efficient, the scientists created complicated simulation models, which require powerful computers. The grid computing is the answer to powerful and accessible computing resources. The article observes, and estimates the optimal configuration of the grid environment in the fields of the complicated nuclear fusion computing tasks. (author)

  4. Dynamically Authorized Role-Based Access Control for Grid Applications

    Institute of Scientific and Technical Information of China (English)

    YAO Hanbing; HU Heping; LU Zhengding; LI Ruixuan

    2006-01-01

    Grid computing is concerned with the sharing and coordinated use of diverse resources in distributed "virtual organizations". The heterogeneous, dynamic and multi-domain nature of these environments makes challenging security issues that demand new technical approaches. Despite the recent advances in access control approaches applicable to Grid computing, there remain issues that impede the development of effective access control models for Grid applications. Among them there are the lack of context-based models for access control, and reliance on identity or capability-based access control schemes. An access control scheme that resolve these issues is presented, and a dynamically authorized role-based access control (D-RBAC) model extending the RBAC with context constraints is proposed. The D-RABC mechanisms dynamically grant permissions to users based on a set of contextual information collected from the system and user's environments, while retaining the advantages of RBAC model. The implementation architecture of D-RBAC for the Grid application is also described.

  5. Induced forces in the gravitational field

    International Nuclear Information System (INIS)

    Voracek, P.

    1979-01-01

    In this paper the expression for the magnitude of the so-called induced force, acting on a mass particle, is deduced. The origin of this force is causally connected to the increase of the rest mass of the particle in the gravitational field. (orig.)

  6. Improved delayed signal cancellation-based SRF-PLL for unbalanced grid

    DEFF Research Database (Denmark)

    Messo, Tuomas; Sihvo, Jussi; Yang, Dongsheng

    2017-01-01

    Problems with power quality in the grid have gained a lot of attention recently due to rapid increase in the amount of grid-connected power converters. The converter should produce sinusoidal currents also during abnormal conditions, such as unbalanced grid voltages. Several methods, like...... the delayed signal cancellation-based method (DSC), have been proposed to alleviate the detrimental effect of unbalance. This paper proposes an improvement to a delayed signal cancellation based synchronization algorithm for unbalanced grids. The proposed PLL structure employs only half of the delay required...

  7. Smart grid

    International Nuclear Information System (INIS)

    Choi, Dong Bae

    2001-11-01

    This book describes press smart grid from basics to recent trend. It is divided into ten chapters, which deals with smart grid as green revolution in energy with introduction, history, the fields, application and needed technique for smart grid, Trend of smart grid in foreign such as a model business of smart grid in foreign, policy for smart grid in U.S.A, Trend of smart grid in domestic with international standard of smart grid and strategy and rood map, smart power grid as infrastructure of smart business with EMS development, SAS, SCADA, DAS and PQMS, smart grid for smart consumer, smart renewable like Desertec project, convergence IT with network and PLC, application of an electric car, smart electro service for realtime of electrical pricing system, arrangement of smart grid.

  8. Controlling Casimir force via coherent driving field

    Science.gov (United States)

    Ahmad, Rashid; Abbas, Muqaddar; Ahmad, Iftikhar; Qamar, Sajid

    2016-04-01

    A four level atom-field configuration is used to investigate the coherent control of Casimir force between two identical plates made up of chiral atomic media and separated by vacuum of width d. The electromagnetic chirality-induced negative refraction is obtained via atomic coherence. The behavior of Casimir force is investigated using Casimir-Lifshitz formula. It is noticed that Casimir force can be switched from repulsive to attractive and vice versa via coherent control of the driving field. This switching feature provides new possibilities of using the repulsive Casimir force in the development of new emerging technologies, such as, micro-electro-mechanical and nano-electro-mechanical systems, i.e., MEMS and NEMS, respectively.

  9. Grid portal-based data management for lattice QCD data

    Energy Technology Data Exchange (ETDEWEB)

    Andronico, G. [Istituto Nazionale di Fisica Nucleare, Sezione di Catania, via S. Sofia 64, 95123 Catania (Italy)]. E-mail: giuseppe.andronico@ct.infn.it; Barbera, R. [Istituto Nazionale di Fisica Nucleare, Sezione di Catania, via S. Sofia 64, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia dell' Universita di Catania, via S. Sofia 64, 95123 Catania (Italy); Falzone, A. [NICE SRL, via Marchesi di Roero 1, 14020 Cortanze (Italy)

    2004-11-21

    We describe here a case of the European Union DataGrid Project data management services by a Lattice Quantum ChromoDynamics (LQCD) application to share the large amount of configurations generated and based on a solution developed from the International Lattice Data Grid Project using a XML dialect called QCDML. In order to allow the user to store, search and browse the lattice configurations described by QCDML in an uniform and transparent way, we have exploited the functionalities of the GENIUS Grid portal, jointly developed by INFN and NICE srl in the context of the Italian INFN Grid and EU DataGrid Projects.

  10. Grid portal-based data management for lattice QCD data

    International Nuclear Information System (INIS)

    Andronico, G.; Barbera, R.; Falzone, A.

    2004-01-01

    We describe here a case of the European Union DataGrid Project data management services by a Lattice Quantum ChromoDynamics (LQCD) application to share the large amount of configurations generated and based on a solution developed from the International Lattice Data Grid Project using a XML dialect called QCDML. In order to allow the user to store, search and browse the lattice configurations described by QCDML in an uniform and transparent way, we have exploited the functionalities of the GENIUS Grid portal, jointly developed by INFN and NICE srl in the context of the Italian INFN Grid and EU DataGrid Projects

  11. Design of a Glenn Research Center Solar Field Grid-Tied Photovoltaic Power System

    Science.gov (United States)

    Eichenberg, Dennis J.

    2009-01-01

    The NASA Glenn Research Center (GRC) designed, developed, and installed, a 37.5 kW DC photovoltaic (PV) Solar Field in the GRC West Area in the 1970s for the purpose of testing PV panels for various space and terrestrial applications. The PV panels are arranged to provide a nominal 120 VDC. The GRC Solar Field has been extremely successful in meeting its mission. The PV panels and the supporting electrical systems are all near their end of life. GRC has designed a 72 kW DC grid-tied PV power system to replace the existing GRC West Area Solar Field. The 72 kW DC grid-tied PV power system will provide DC solar power for GRC PV testing applications, and provide AC facility power for all times that research power is not required. A grid-tied system is connected directly to the utility distribution grid. Facility power can be obtained from the utility system as normal. The PV system is synchronized with the utility system to provide power for the facility, and excess power is provided to the utility for use by all. The project transfers space technology to terrestrial use via nontraditional partners. GRC personnel glean valuable experience with PV power systems that are directly applicable to various space power systems, and provide valuable space program test data. PV power systems help to reduce harmful emissions and reduce the Nation s dependence on fossil fuels. Power generated by the PV system reduces the GRC utility demand, and the surplus power aids the community. Present global energy concerns reinforce the need for the development of alternative energy systems. Modern PV panels are readily available, reliable, efficient, and economical with a life expectancy of at least 25 years. Modern electronics has been the enabling technology behind grid-tied power systems, making them safe, reliable, efficient, and economical with a life expectancy of at least 25 years. The report concludes that the GRC West Area grid-tied PV power system design is viable for a reliable

  12. Numerical analysis of the spacer grids' compression strength

    Energy Technology Data Exchange (ETDEWEB)

    Schettino, C.F.M.; Gouvea, J.P.; Medeiros, N., E-mail: carlosschettino@inb.gov.br, E-mail: jpg@metal.eeimvr.uff.br [Universidade Federal Fluminense (UFF), Volta Redonda, RJ (Brazil). Programa de Engenharia Metalurgica

    2013-07-01

    Among the components of the fuel assembly, the spacer grids play an important structural role during the energy generation process, mainly for their requirement to have enough structural strength to withstand lateral impact loads, due to fuel assembly shipping/handling and due to forces outcome from postulated accidents (earthquake and LOCA). This requirement ensures a proper geometry for cooling and for guide thimble straightness in the fuel assembly. In this way, the understanding of the macroscopic mechanical behavior of this component becomes essential even to any subsequent geometrical modifications to optimize the flue assemblies' structural behavior. In the present work, three-dimensional finite element models destined to provide consistent predictions of 16X16-type spacer grids lateral strength were proposed. Firstly, buckling tests based on results available in the literature were performed to establish a methodology for spacer grid finite element-based modeling. The, by considering a spacer grid interesting geometry and some possible variations associated to its fabrication, tolerance, the proposed numerical models were submitted to compression conditions to calculate the buckling force. Also, these models were validated for comparison with experimental buckling load results. Comparison of buckling predictions combined to observations of actual and simulated deformed spacer grids geometries permitted to verify the consistency and applicability of the proposed models. Thus, these numerical results show a good agreement between the and the experimental results. (author)

  13. Grist: Grid-based Data Mining for Astronomy

    Science.gov (United States)

    Jacob, J. C.; Katz, D. S.; Miller, C. D.; Walia, H.; Williams, R. D.; Djorgovski, S. G.; Graham, M. J.; Mahabal, A. A.; Babu, G. J.; vanden Berk, D. E.; Nichol, R.

    2005-12-01

    The Grist project is developing a grid-technology based system as a research environment for astronomy with massive and complex datasets. This knowledge extraction system will consist of a library of distributed grid services controlled by a workflow system, compliant with standards emerging from the grid computing, web services, and virtual observatory communities. This new technology is being used to find high redshift quasars, study peculiar variable objects, search for transients in real time, and fit SDSS QSO spectra to measure black hole masses. Grist services are also a component of the ``hyperatlas'' project to serve high-resolution multi-wavelength imagery over the Internet. In support of these science and outreach objectives, the Grist framework will provide the enabling fabric to tie together distributed grid services in the areas of data access, federation, mining, subsetting, source extraction, image mosaicking, statistics, and visualization.

  14. Grist : grid-based data mining for astronomy

    Science.gov (United States)

    Jacob, Joseph C.; Katz, Daniel S.; Miller, Craig D.; Walia, Harshpreet; Williams, Roy; Djorgovski, S. George; Graham, Matthew J.; Mahabal, Ashish; Babu, Jogesh; Berk, Daniel E. Vanden; hide

    2004-01-01

    The Grist project is developing a grid-technology based system as a research environment for astronomy with massive and complex datasets. This knowledge extraction system will consist of a library of distributed grid services controlled by a workflow system, compliant with standards emerging from the grid computing, web services, and virtual observatory communities. This new technology is being used to find high redshift quasars, study peculiar variable objects, search for transients in real time, and fit SDSS QSO spectra to measure black hole masses. Grist services are also a component of the 'hyperatlas' project to serve high-resolution multi-wavelength imagery over the Internet. In support of these science and outreach objectives, the Grist framework will provide the enabling fabric to tie together distributed grid services in the areas of data access, federation, mining, subsetting, source extraction, image mosaicking, statistics, and visualization.

  15. Research on the comparison of extension mechanism of cellular automaton based on hexagon grid and rectangular grid

    Science.gov (United States)

    Zhai, Xiaofang; Zhu, Xinyan; Xiao, Zhifeng; Weng, Jie

    2009-10-01

    Historically, cellular automata (CA) is a discrete dynamical mathematical structure defined on spatial grid. Research on cellular automata system (CAS) has focused on rule sets and initial condition and has not discussed its adjacency. Thus, the main focus of our study is the effect of adjacency on CA behavior. This paper is to compare rectangular grids with hexagonal grids on their characteristics, strengths and weaknesses. They have great influence on modeling effects and other applications including the role of nearest neighborhood in experimental design. Our researches present that rectangular and hexagonal grids have different characteristics. They are adapted to distinct aspects, and the regular rectangular or square grid is used more often than the hexagonal grid. But their relative merits have not been widely discussed. The rectangular grid is generally preferred because of its symmetry, especially in orthogonal co-ordinate system and the frequent use of raster from Geographic Information System (GIS). However, in terms of complex terrain, uncertain and multidirectional region, we have preferred hexagonal grids and methods to facilitate and simplify the problem. Hexagonal grids can overcome directional warp and have some unique characteristics. For example, hexagonal grids have a simpler and more symmetric nearest neighborhood, which avoids the ambiguities of the rectangular grids. Movement paths or connectivity, the most compact arrangement of pixels, make hexagonal appear great dominance in the process of modeling and analysis. The selection of an appropriate grid should be based on the requirements and objectives of the application. We use rectangular and hexagonal grids respectively for developing city model. At the same time we make use of remote sensing images and acquire 2002 and 2005 land state of Wuhan. On the base of city land state in 2002, we make use of CA to simulate reasonable form of city in 2005. Hereby, these results provide a proof of

  16. GENIE - Generation of computational geometry-grids for internal-external flow configurations

    Science.gov (United States)

    Soni, B. K.

    1988-01-01

    Progress realized in the development of a master geometry-grid generation code GENIE is presented. The grid refinement process is enhanced by developing strategies to utilize bezier curves/surfaces and splines along with weighted transfinite interpolation technique and by formulating new forcing function for the elliptic solver based on the minimization of a non-orthogonality functional. A two step grid adaptation procedure is developed by optimally blending adaptive weightings with weighted transfinite interpolation technique. Examples of 2D-3D grids are provided to illustrate the success of these methods.

  17. Smart grid communication-enabled intelligence for the electric power grid

    CERN Document Server

    Bush, Stephen F

    2014-01-01

    This book bridges the divide between the fields of power systems engineering and computer communication through the new field of power system information theory. Written by an expert with vast experience in the field, this book explores the smart grid from generation to consumption, both as it is planned today and how it will evolve tomorrow. The book focuses upon what differentiates the smart grid from the ""traditional"" power grid as it has been known for the last century. Furthermore, the author provides the reader with a fundamental understanding of both power systems and communication ne

  18. 5 X 5 rod bundle flow field measurements downstream a PWR spacer grid

    Energy Technology Data Exchange (ETDEWEB)

    Castro, Higor F.P.; Silva, Vitor V A.; Santos, André A.C.; Veloso, Maria A.F., E-mail: higorfabiano@gmail.com, E-mail: mdora@nuclear.ufmg.br, E-mail: vitors@cdtn.br, E-mail: aacs@cdtn.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil); Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2017-07-01

    The spacer grids are structures present in nuclear fuel assembly of Pressurized Water Reactors (PWR). They play an important structural role and also assist in heat removal through the assembly by promoting increased turbulence of the flow. Understanding the flow dynamics downstream the spacer grid is paramount for fuel element design and analysis. This paper presents water flow velocity profiles measurements downstream a spacer grid in a 5 x 5 rod bundle test rig with the objective of highlighting important fluid dynamic behavior near the grid and supplying data for CFD simulation validation. These velocity profiles were obtained at two different heights downstream the spacer grid using a LDV (Laser Doppler Velocimetry) through the top of test rig. The turbulence intensities and patterns of the swirl and cross flow were evaluated. The tests were conducted for Reynolds numbers ranging from 1.8 x 10{sup 4} to 5.4 x 10{sup 4}. This experimental research was carried out in thermo-hydraulics laboratory of Nuclear Technology Development Center – CDTN. Results show great repeatability and low uncertainties (< 1.24 %). Details of the flow field show how the mixture and turbulence induced by the spacer grid quickly decays downstream the spacer grid. It is shown that the developed methodology can supply high resolution low uncertainty results that can be used for validation of CFD simulations. (author)

  19. 5 X 5 rod bundle flow field measurements downstream a PWR spacer grid

    International Nuclear Information System (INIS)

    Castro, Higor F.P.; Silva, Vitor V A.; Santos, André A.C.; Veloso, Maria A.F.

    2017-01-01

    The spacer grids are structures present in nuclear fuel assembly of Pressurized Water Reactors (PWR). They play an important structural role and also assist in heat removal through the assembly by promoting increased turbulence of the flow. Understanding the flow dynamics downstream the spacer grid is paramount for fuel element design and analysis. This paper presents water flow velocity profiles measurements downstream a spacer grid in a 5 x 5 rod bundle test rig with the objective of highlighting important fluid dynamic behavior near the grid and supplying data for CFD simulation validation. These velocity profiles were obtained at two different heights downstream the spacer grid using a LDV (Laser Doppler Velocimetry) through the top of test rig. The turbulence intensities and patterns of the swirl and cross flow were evaluated. The tests were conducted for Reynolds numbers ranging from 1.8 x 10"4 to 5.4 x 10"4. This experimental research was carried out in thermo-hydraulics laboratory of Nuclear Technology Development Center – CDTN. Results show great repeatability and low uncertainties (< 1.24 %). Details of the flow field show how the mixture and turbulence induced by the spacer grid quickly decays downstream the spacer grid. It is shown that the developed methodology can supply high resolution low uncertainty results that can be used for validation of CFD simulations. (author)

  20. The Decay of Forced Turbulent Coflow of He II Past a Grid

    Science.gov (United States)

    Babuin, S.; Varga, E.; Skrbek, L.

    2014-04-01

    We present an experimental study of the decay of He II turbulence created mechanically, by a bellows-induced flow past a stationary grid in a 7×7 mm2 superfluid wind tunnel. The temporal decay L( t) originating from various steady-states of vortex line length per unit volume, L 0, has been observed based on measurements of the attenuation of second-sound, in the temperature range 1.17 Kbench-mark Oregon towed grid experiments and, despite our turbulence being non-homogeneous, find strong similarities.

  1. Comparison of Cellulose Iβ Simulations with Three Carbohydrate Force Fields.

    Science.gov (United States)

    Matthews, James F; Beckham, Gregg T; Bergenstråhle-Wohlert, Malin; Brady, John W; Himmel, Michael E; Crowley, Michael F

    2012-02-14

    Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose Iβ microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose Iβ crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose.

  2. Field test of hydrogen in the natural gas grid

    Energy Technology Data Exchange (ETDEWEB)

    Iskov, H

    2010-08-15

    In order to prepare for a future use of hydrogen as a fuel gas it became evident that very little information existed regarding the compatibility between long-term exposure and transportation of hydrogen in natural gas pipelines. A program was therefore set to study the transportation in a small-scale pilot grid at the research centre in Hoersholm, Denmark. The test program included steel pipes from the Danish gas transmission grid and polymer pipes from the Danish and Swedish gas distribution grid. The test of polymer pipes was devised so that samples of all test pipes were cut out of the grid each year and analysis performed on these pipe samples; in this way any form of influence on the integrity of the polyethylene pipe would be detected. The analytical program for polymer was devised in order to detect any influence on the additivation of the polyethylene as this has an influence on oxidative resistance, as well as checking already encountered possible degradation caused by extrusion of the material. Further tools as rheology and melt flow rate were used for detecting any structural changes on the material. On the mechanical property side the tensile strength and modulus were followed as well as the most important property for the pipe line, namely slow crack growth. The results of the polymer pipe tests show no degradations of any kind related to the continuous hydrogen exposure for more than 4 years. This is a strong indication of the compatibility to hydrogen of the tested polymer materials PE 80 and PE 100. The object of the steel pipe test was to see the effect on fatigue life of existing natural gas transmission lines with hydrogen replacing the natural gas. Full-scale dynamic tests were performed using randomly selected cut-out API 5L X70 pipe sections with a diameter of 20 inches and a wall thickness of 7 millimetres from the Danish natural gas transmission system. The pipe sections contained field girth weld made during the installation of the pipe

  3. Field test of hydrogen in the natural gas grid

    Energy Technology Data Exchange (ETDEWEB)

    Iskov, H.

    2010-08-15

    In order to prepare for a future use of hydrogen as a fuel gas it became evident that very little information existed regarding the compatibility between long-term exposure and transportation of hydrogen in natural gas pipelines. A program was therefore set to study the transportation in a small-scale pilot grid at the research centre in Hoersholm, Denmark. The test program included steel pipes from the Danish gas transmission grid and polymer pipes from the Danish and Swedish gas distribution grid. The test of polymer pipes was devised so that samples of all test pipes were cut out of the grid each year and analysis performed on these pipe samples; in this way any form of influence on the integrity of the polyethylene pipe would be detected. The analytical program for polymer was devised in order to detect any influence on the additivation of the polyethylene as this has an influence on oxidative resistance, as well as checking already encountered possible degradation caused by extrusion of the material. Further tools as rheology and melt flow rate were used for detecting any structural changes on the material. On the mechanical property side the tensile strength and modulus were followed as well as the most important property for the pipe line, namely slow crack growth. The results of the polymer pipe tests show no degradations of any kind related to the continuous hydrogen exposure for more than 4 years. This is a strong indication of the compatibility to hydrogen of the tested polymer materials PE 80 and PE 100. The object of the steel pipe test was to see the effect on fatigue life of existing natural gas transmission lines with hydrogen replacing the natural gas. Full-scale dynamic tests were performed using randomly selected cut-out API 5L X70 pipe sections with a diameter of 20 inches and a wall thickness of 7 millimetres from the Danish natural gas transmission system. The pipe sections contained field girth weld made during the installation of the pipe

  4. TH-C-12A-06: Feasibility of a MLC-Based Inversely Optimized Multi-Field Grid Therapy Technique

    Energy Technology Data Exchange (ETDEWEB)

    Jin, J [Georgia Regents University, Augusta, GA (Georgia); Zhao, B; Huang, Y; Kim, J; Qin, Y; Wen, N; Ryu, S; Chetty, I [Henry Ford Health System, Detroit, MI (United States)

    2014-06-15

    Purpose: Grid therapy (GT), which generates highly spatially modulated dose distributions, can deliver single- or hypo-fractionated radiotherapy for large tumors without causing significant toxicities. GT may be applied in combination with immunotherapy, in light of recent preclinical data of synergetic interaction between radiotherapy and immunotherapy. However, conventional GT uses only one field, which does not have the advantage of multi-fields in 3D conformal-RT or IMRT. We have proposed a novel MLC-based, inverse-planned multi-field 3D GT technique. This study aims to test its deliverability and dosimetric accuracy. Methods: A lattice of small spheres was created as the boost volume within a large target. A simultaneous boost IMRT plan with 8-Gy to the target and 20-Gy to the boost volume was generated in the Eclipse treatment planning system (AAA v10) with a HD120 MLC. Nine beams were used, and the gantry and couch angles were selected so that the spheres were perfectly aligned in every beams eye view. The plan was mapped to a phantom with dose scaled. EBT3 films were calibrated and used to measure the delivered dose. Results: The IMRT plan generated a highly spatially modulated dose distribution in the target. D95%, D50%, D5% for the spheres and the targets in Gy were 18.5, 20.0, 21.4 and 7.9, 9.8, 16.1, respectively. D50% for a 1cm ring 1cm outside the target was 2.9-Gy. Film dosimetry showed good agreement between calculated and delivered dose, with an overall gamma passing rate of 99.6% (3%/1mm). The point dose differences for different spheres varied from 1–6%. Conclusion: We have demonstrated the deliverability and dose calculation accuracy of the MLC-based inversely optimized multi-field GT technique, which achieved a brachytherapy-like dose distribution. Single-fraction high dose can be delivered to the spheres in a large target with minimal dose to the surrounding normal tissue.

  5. Fault ride-through enhancement using an enhanced field oriented control technique for converters of grid connected DFIG and STATCOM for different types of faults.

    Science.gov (United States)

    Ananth, D V N; Nagesh Kumar, G V

    2016-05-01

    With increase in electric power demand, transmission lines were forced to operate close to its full load and due to the drastic change in weather conditions, thermal limit is increasing and the system is operating with less security margin. To meet the increased power demand, a doubly fed induction generator (DFIG) based wind generation system is a better alternative. For improving power flow capability and increasing security STATCOM can be adopted. As per modern grid rules, DFIG needs to operate without losing synchronism called low voltage ride through (LVRT) during severe grid faults. Hence, an enhanced field oriented control technique (EFOC) was adopted in Rotor Side Converter of DFIG converter to improve power flow transfer and to improve dynamic and transient stability. A STATCOM is coordinated to the system for obtaining much better stability and enhanced operation during grid fault. For the EFOC technique, rotor flux reference changes its value from synchronous speed to zero during fault for injecting current at the rotor slip frequency. In this process DC-Offset component of flux is controlled, decomposition during symmetric and asymmetric faults. The offset decomposition of flux will be oscillatory in a conventional field oriented control, whereas in EFOC it was aimed to damp quickly. This paper mitigates voltage and limits surge currents to enhance the operation of DFIG during symmetrical and asymmetrical faults. The system performance with different types of faults like single line to ground, double line to ground and triple line to ground was applied and compared without and with a STATCOM occurring at the point of common coupling with fault resistance of a very small value at 0.001Ω. Copyright © 2015 ISA. Published by Elsevier Ltd. All rights reserved.

  6. Task-and-role-based access-control model for computational grid

    Institute of Scientific and Technical Information of China (English)

    LONG Tao; HONG Fan; WU Chi; SUN Ling-li

    2007-01-01

    Access control in a grid environment is a challenging issue because the heterogeneous nature and independent administration of geographically dispersed resources in grid require access control to use fine-grained policies. We established a task-and-role-based access-control model for computational grid (CG-TRBAC model), integrating the concepts of role-based access control (RBAC) and task-based access control (TBAC). In this model, condition restrictions are defined and concepts specifically tailored to Workflow Management System are simplified or omitted so that role assignment and security administration fit computational grid better than traditional models; permissions are mutable with the task status and system variables, and can be dynamically controlled. The CG-TRBAC model is proved flexible and extendible. It can implement different control policies. It embodies the security principle of least privilege and executes active dynamic authorization. A task attribute can be extended to satisfy different requirements in a real grid system.

  7. Near-Body Grid Adaption for Overset Grids

    Science.gov (United States)

    Buning, Pieter G.; Pulliam, Thomas H.

    2016-01-01

    A solution adaption capability for curvilinear near-body grids has been implemented in the OVERFLOW overset grid computational fluid dynamics code. The approach follows closely that used for the Cartesian off-body grids, but inserts refined grids in the computational space of original near-body grids. Refined curvilinear grids are generated using parametric cubic interpolation, with one-sided biasing based on curvature and stretching ratio of the original grid. Sensor functions, grid marking, and solution interpolation tasks are implemented in the same fashion as for off-body grids. A goal-oriented procedure, based on largest error first, is included for controlling growth rate and maximum size of the adapted grid system. The adaption process is almost entirely parallelized using MPI, resulting in a capability suitable for viscous, moving body simulations. Two- and three-dimensional examples are presented.

  8. New 2D adaptive mesh refinement algorithm based on conservative finite-differences with staggered grid

    Science.gov (United States)

    Gerya, T.; Duretz, T.; May, D. A.

    2012-04-01

    We present new 2D adaptive mesh refinement (AMR) algorithm based on stress-conservative finite-differences formulated for non-uniform rectangular staggered grid. The refinement approach is based on a repetitive cell splitting organized via a quad-tree construction (every parent cell is split into 4 daughter cells of equal size). Irrespective of the level of resolution every cell has 5 staggered nodes (2 horizontal velocities, 2 vertical velocities and 1 pressure) for which respective governing equations, boundary conditions and interpolation equations are formulated. The connectivity of the grid is achieved via cross-indexing of grid cells and basic nodal points located in their corners: four corner nodes are indexed for every cell and up to 4 surrounding cells are indexed for every node. The accuracy of the approach depends critically on the formulation of the stencil used at the "hanging" velocity nodes located at the boundaries between different levels of resolution. Most accurate results are obtained for the scheme based on the volume flux balance across the resolution boundary combined with stress-based interpolation of velocity orthogonal to the boundary. We tested this new approach with a number of 2D variable viscosity analytical solutions. Our tests demonstrate that the adaptive staggered grid formulation has convergence properties similar to those obtained in case of a standard, non-adaptive staggered grid formulation. This convergence is also achieved when resolution boundary crosses sharp viscosity contrast interfaces. The convergence rates measured are found to be insensitive to scenarios when the transition in grid resolution crosses sharp viscosity contrast interfaces. We compared various grid refinement strategies based on distribution of different field variables such as viscosity, density and velocity. According to these tests the refinement allows for significant (0.5-1 order of magnitude) increase in the computational accuracy at the same

  9. Finger-Shaped GelForce: Sensor for Measuring Surface Traction Fields for Robotic Hand.

    Science.gov (United States)

    Sato, K; Kamiyama, K; Kawakami, N; Tachi, S

    2010-01-01

    It is believed that the use of haptic sensors to measure the magnitude, direction, and distribution of a force will enable a robotic hand to perform dexterous operations. Therefore, we develop a new type of finger-shaped haptic sensor using GelForce technology. GelForce is a vision-based sensor that can be used to measure the distribution of force vectors, or surface traction fields. The simple structure of the GelForce enables us to develop a compact finger-shaped GelForce for the robotic hand. GelForce that is developed on the basis of an elastic theory can be used to calculate surface traction fields using a conversion equation. However, this conversion equation cannot be analytically solved when the elastic body of the sensor has a complicated shape such as the shape of a finger. Therefore, we propose an observational method and construct a prototype of the finger-shaped GelForce. By using this prototype, we evaluate the basic performance of the finger-shaped GelForce. Then, we conduct a field test by performing grasping operations using a robotic hand. The results of this test show that using the observational method, the finger-shaped GelForce can be successfully used in a robotic hand.

  10. Grid-based electronic structure calculations: The tensor decomposition approach

    Energy Technology Data Exchange (ETDEWEB)

    Rakhuba, M.V., E-mail: rakhuba.m@gmail.com [Skolkovo Institute of Science and Technology, Novaya St. 100, 143025 Skolkovo, Moscow Region (Russian Federation); Oseledets, I.V., E-mail: i.oseledets@skoltech.ru [Skolkovo Institute of Science and Technology, Novaya St. 100, 143025 Skolkovo, Moscow Region (Russian Federation); Institute of Numerical Mathematics, Russian Academy of Sciences, Gubkina St. 8, 119333 Moscow (Russian Federation)

    2016-05-01

    We present a fully grid-based approach for solving Hartree–Fock and all-electron Kohn–Sham equations based on low-rank approximation of three-dimensional electron orbitals. Due to the low-rank structure the total complexity of the algorithm depends linearly with respect to the one-dimensional grid size. Linear complexity allows for the usage of fine grids, e.g. 8192{sup 3} and, thus, cheap extrapolation procedure. We test the proposed approach on closed-shell atoms up to the argon, several molecules and clusters of hydrogen atoms. All tests show systematical convergence with the required accuracy.

  11. Force fields of charged particles in micro-nanofluidic preconcentration systems

    Science.gov (United States)

    Gong, Lingyan; Ouyang, Wei; Li, Zirui; Han, Jongyoon

    2017-12-01

    Electrokinetic concentration devices based on the ion concentration polarization (ICP) phenomenon have drawn much attention due to their simple setup, high enrichment factor, and easy integration with many subsequent processes, such as separation, reaction, and extraction etc. Despite significant progress in the experimental research, fundamental understanding and detailed modeling of the preconcentration systems is still lacking. The mechanism of the electrokinetic trapping of charged particles is currently limited to the force balance analysis between the electric force and fluid drag force in an over-simplified one-dimensional (1D) model, which misses many signatures of the actual system. This letter studies the particle trapping phenomena that are not explainable in the 1D model through the calculation of the two-dimensional (2D) force fields. The trapping of charged particles is shown to significantly distort the electric field and fluid flow pattern, which in turn leads to the different trapping behaviors of particles of different sizes. The mechanisms behind the protrusions and instability of the focused band, which are important factors determining overall preconcentration efficiency, are revealed through analyzing the rotating fluxes of particles in the vicinity of the ion-selective membrane. The differences in the enrichment factors of differently sized particles are understood through the interplay between the electric force and convective fluid flow. These results provide insights into the electrokinetic concentration effect, which could facilitate the design and optimization of ICP-based preconcentration systems.

  12. Evaluation of Reliability Parameters in Micro-grid

    Directory of Open Access Journals (Sweden)

    H. Hasanzadeh Fard

    2015-06-01

    Full Text Available Evaluation of the reliability parameters in micro-grids based on renewable energy sources is one of the main problems that are investigated in this paper. Renewable energy sources such as solar and wind energy, battery as an energy storage system and fuel cell as a backup system are used to provide power to the electrical loads of the micro-grid. Loads in the micro-grid consist of interruptible and uninterruptible loads. In addition to the reliability parameters, Forced Outage Rate of each component and also uncertainty of wind power, PV power and demand are considered for micro-grid. In this paper, the problem is formulated as a nonlinear integer minimization problem which minimizes the sum of the total capital, operational, maintenance and replacement cost of DERs. This paper proposes PSO for solving this minimization problem.

  13. Efficacy of the Amsler Grid Test in Evaluating Glaucomatous Central Visual Field Defects.

    Science.gov (United States)

    Su, Daniel; Greenberg, Andrew; Simonson, Joseph L; Teng, Christopher C; Liebmann, Jeffrey M; Ritch, Robert; Park, Sung Chul

    2016-04-01

    To investigate the efficacy of the Amsler grid test in detecting central visual field (VF) defects in glaucoma. Prospective, cross-sectional study. Patients with glaucoma with reliable Humphrey 10-2 Swedish Interactive Threshold Algorithm standard VF on the date of enrollment or within the previous 3 months. Amsler grid tests were performed for each eye and were considered "abnormal" if there was any perceived scotoma with missing or blurry grid lines within the central 10 degrees ("Amsler grid scotoma"). An abnormal 10-2 VF was defined as ≥3 adjacent points at P grid scotoma area were calculated with the 10-2 VF as the clinical reference standard. Among eyes with an abnormal 10-2 VF, regression analyses were performed between the Amsler grid scotoma area and the 10-2 VF parameters (mean deviation [MD], scotoma extent [number of test points with P grid scotoma area. A total of 106 eyes (53 patients) were included (mean ± standard deviation age, 24-2 MD and 10-2 MD = 66±12 years, -9.61±8.64 decibels [dB] and -9.75±9.00 dB, respectively). Sensitivity, specificity, and positive and negative predictive values of the Amsler grid test were 68%, 92%, 97%, and 46%, respectively. Sensitivity was 40% in eyes with 10-2 MD better than -6 dB, 58% in eyes with 10-2 MD between -12 and -6 dB, and 92% in eyes with 10-2 MD worse than -12 dB. The area under the receiver operating characteristic curve of the Amsler grid scotoma area was 0.810 (95% confidence interval, 0.723-0.880, P grid scotoma area had the strongest relationship with 10-2 MD (quadratic R(2)=0.681), followed by 10-2 scotoma extent (quadratic R(2)=0.611) and 10-2 scotoma mean depth (quadratic R(2)=0.299) (all P grid can be used to screen for moderate to severe central vision loss from glaucoma. Copyright © 2016 American Academy of Ophthalmology. Published by Elsevier Inc. All rights reserved.

  14. Constitutive equations for discrete electromagnetic problems over polyhedral grids

    International Nuclear Information System (INIS)

    Codecasa, Lorenzo; Trevisan, Francesco

    2007-01-01

    In this paper a novel approach is proposed for constructing discrete counterparts of constitutive equations over polyhedral grids which ensure both consistency and stability of the algebraic equations discretizing an electromagnetic field problem. The idea is to construct discrete constitutive equations preserving the thermodynamic relations for constitutive equations. In this way, consistency and stability of the discrete equations are ensured. At the base, a purely geometric condition between the primal and the dual grids has to be satisfied for a given primal polyhedral grid, by properly choosing the dual grid. Numerical experiments demonstrate that the proposed discrete constitutive equations lead to accurate approximations of the electromagnetic field

  15. Wind Farm Grid Integration Using VSC Based HVDC Transmission - An Overview

    DEFF Research Database (Denmark)

    Chaudhary, Sanjay Kumar; Teodorescu, Remus; Rodriguez, Pedro

    2008-01-01

    The paper gives an overview of HVAC and HVDC connection of wind farm to the grid, with an emphasis on Voltage Source Converter (VSC)-based HVDC for large wind farms requiring long distance cable connection. Flexible control capabilities of a VSC-based HVDC system enables smooth integration of wind...... farm into the power grid network while meeting the Grid Code Requirements (GCR). Operation of a wind farm with VSC-based HVDC connection is described....

  16. Grid Generation Techniques Utilizing the Volume Grid Manipulator

    Science.gov (United States)

    Alter, Stephen J.

    1998-01-01

    This paper presents grid generation techniques available in the Volume Grid Manipulation (VGM) code. The VGM code is designed to manipulate existing line, surface and volume grids to improve the quality of the data. It embodies an easy to read rich language of commands that enables such alterations as topology changes, grid adaption and smoothing. Additionally, the VGM code can be used to construct simplified straight lines, splines, and conic sections which are common curves used in the generation and manipulation of points, lines, surfaces and volumes (i.e., grid data). These simple geometric curves are essential in the construction of domain discretizations for computational fluid dynamic simulations. By comparison to previously established methods of generating these curves interactively, the VGM code provides control of slope continuity and grid point-to-point stretchings as well as quick changes in the controlling parameters. The VGM code offers the capability to couple the generation of these geometries with an extensive manipulation methodology in a scripting language. The scripting language allows parametric studies of a vehicle geometry to be efficiently performed to evaluate favorable trends in the design process. As examples of the powerful capabilities of the VGM code, a wake flow field domain will be appended to an existing X33 Venturestar volume grid; negative volumes resulting from grid expansions to enable flow field capture on a simple geometry, will be corrected; and geometrical changes to a vehicle component of the X33 Venturestar will be shown.

  17. State-space-based harmonic stability analysis for paralleled grid-connected inverters

    DEFF Research Database (Denmark)

    Wang, Yanbo; Wang, Xiongfei; Chen, Zhe

    2016-01-01

    This paper addresses a state-space-based harmonic stability analysis of paralleled grid-connected inverters system. A small signal model of individual inverter is developed, where LCL filter, the equivalent delay of control system, and current controller are modeled. Then, the overall small signal...... model of paralleled grid-connected inverters is built. Finally, the state space-based stability analysis approach is developed to explain the harmonic resonance phenomenon. The eigenvalue traces associated with time delay and coupled grid impedance are obtained, which accounts for how the unstable...... inverter produces the harmonic resonance and leads to the instability of whole paralleled system. The proposed approach reveals the contributions of the grid impedance as well as the coupled effect on other grid-connected inverters under different grid conditions. Simulation and experimental results...

  18. Wind power integration in island-based smart grid projects : A comparative study between Jeju Smart Grid Test-bed and Smart Grid Gotland

    OpenAIRE

    Piehl, Hampus

    2014-01-01

    Smart grids seem to be the solution to use energy from renewable and intermittent energy sources in an efficient manner. There are many research projects around the world and two of them are Jeju Smart Grid Test-bed and Smart Grid Gotland. They have in common that they are both island-based projects and connected to the Powergrid on the mainland by HVDC-link. The purpose of this thesis is to compare the two projects and find out what challenges and strategies they have related to wind power i...

  19. Reactive Force Field for Liquid Hydrazoic Acid with Applications to Detonation Chemistry

    Science.gov (United States)

    Furman, David; Dubnikova, Faina; van Duin, Adri; Zeiri, Yehuda; Kosloff, Ronnie

    The development of a reactive force field (ReaxFF formalism) for Hydrazoic acid (HN3), a highly sensitive liquid energetic material, is reported. The force field accurately reproduces results of density functional theory (DFT) calculations. The quality and performance of the force field are examined by detailed comparison with DFT calculations related to uni, bi and trimolecular thermal decomposition routes. Reactive molecular dynamics (RMD) simulations are performed to reveal the initial chemical events governing the detonation chemistry of liquid HN3. The outcome of these simulations compares very well with recent results of tight-binding DFT molecular dynamics and thermodynamic calculations. Based on our RMD simulations, predictions were made for the activation energies and volumes in a broad range of temperatures and initial material compressions. Work Supported by The Center of Excellence for Explosives Detection, Mitigation and Response, Department of Homeland Security.

  20. Frequency scanning-based stability analysis method for grid-connected inverter system

    DEFF Research Database (Denmark)

    Wang, Yanbo; Wang, Xiongfei; Blaabjerg, Frede

    2017-01-01

    This paper proposes a frequency scanning-based impedance analysis for stability assessment of grid-connected inverter system, which is able to perform stability assessment without using system mathematical models and inherit the superior feature of impedance-based stability criterion with conside......This paper proposes a frequency scanning-based impedance analysis for stability assessment of grid-connected inverter system, which is able to perform stability assessment without using system mathematical models and inherit the superior feature of impedance-based stability criterion...... with consideration of the inverter nonlinearities. Small current disturbance is injected into grid-connected inverter system in a particular frequency range, and the impedance is computed according to the harmonic-frequency response using Fourier analysis, and then the stability is predicted on the basis...... of the impedance stability criterion. The stability issues of grid-connected inverters with grid-current feedback and the converter-current feedback are addressed using the proposed method. The results obtained from simulation and experiments validate the effectiveness of the method. The frequency scanning...

  1. Reliability analysis of reinforced concrete grids with nonlinear material behavior

    Energy Technology Data Exchange (ETDEWEB)

    Neves, Rodrigo A [EESC-USP, Av. Trabalhador Sao Carlense, 400, 13566-590 Sao Carlos (Brazil); Chateauneuf, Alaa [LaMI-UBP and IFMA, Campus de Clermont-Fd, Les Cezeaux, BP 265, 63175 Aubiere cedex (France)]. E-mail: alaa.chateauneuf@ifma.fr; Venturini, Wilson S [EESC-USP, Av. Trabalhador Sao Carlense, 400, 13566-590 Sao Carlos (Brazil)]. E-mail: venturin@sc.usp.br; Lemaire, Maurice [LaMI-UBP and IFMA, Campus de Clermont-Fd, Les Cezeaux, BP 265, 63175 Aubiere cedex (France)

    2006-06-15

    Reinforced concrete grids are usually used to support large floor slabs. These grids are characterized by a great number of critical cross-sections, where the overall failure is usually sudden. However, nonlinear behavior of concrete leads to the redistribution of internal forces and accurate reliability assessment becomes mandatory. This paper presents a reliability study on reinforced concrete (RC) grids based on coupling Monte Carlo simulations with the response surface techniques. This approach allows us to analyze real RC grids with large number of failure components. The response surface is used to evaluate the structural safety by using first order reliability methods. The application to simple grids shows the interest of the proposed method and the role of moment redistribution in the reliability assessment.

  2. Evaluation of reactive force fields for prediction of the thermo-mechanical properties of cellulose Iâ

    Science.gov (United States)

    Fernando L. Dri; Xiawa Wu; Robert J. Moon; Ashlie Martini; Pablo D. Zavattieri

    2015-01-01

    Molecular dynamics simulation is commonly used to study the properties of nanocellulose-based materials at the atomic scale. It is well known that the accuracy of these simulations strongly depends on the force field that describes energetic interactions. However, since there is no force field developed specifically for cellulose, researchers utilize models...

  3. Reinforcement Learning Based Novel Adaptive Learning Framework for Smart Grid Prediction

    Directory of Open Access Journals (Sweden)

    Tian Li

    2017-01-01

    Full Text Available Smart grid is a potential infrastructure to supply electricity demand for end users in a safe and reliable manner. With the rapid increase of the share of renewable energy and controllable loads in smart grid, the operation uncertainty of smart grid has increased briskly during recent years. The forecast is responsible for the safety and economic operation of the smart grid. However, most existing forecast methods cannot account for the smart grid due to the disabilities to adapt to the varying operational conditions. In this paper, reinforcement learning is firstly exploited to develop an online learning framework for the smart grid. With the capability of multitime scale resolution, wavelet neural network has been adopted in the online learning framework to yield reinforcement learning and wavelet neural network (RLWNN based adaptive learning scheme. The simulations on two typical prediction problems in smart grid, including wind power prediction and load forecast, validate the effectiveness and the scalability of the proposed RLWNN based learning framework and algorithm.

  4. AVQS: Attack Route-Based Vulnerability Quantification Scheme for Smart Grid

    Directory of Open Access Journals (Sweden)

    Jongbin Ko

    2014-01-01

    Full Text Available A smart grid is a large, consolidated electrical grid system that includes heterogeneous networks and systems. Based on the data, a smart grid system has a potential security threat in its network connectivity. To solve this problem, we develop and apply a novel scheme to measure the vulnerability in a smart grid domain. Vulnerability quantification can be the first step in security analysis because it can help prioritize the security problems. However, existing vulnerability quantification schemes are not suitable for smart grid because they do not consider network vulnerabilities. We propose a novel attack route-based vulnerability quantification scheme using a network vulnerability score and an end-to-end security score, depending on the specific smart grid network environment to calculate the vulnerability score for a particular attack route. To evaluate the proposed approach, we derive several attack scenarios from the advanced metering infrastructure domain. The experimental results of the proposed approach and the existing common vulnerability scoring system clearly show that we need to consider network connectivity for more optimized vulnerability quantification.

  5. AVQS: attack route-based vulnerability quantification scheme for smart grid.

    Science.gov (United States)

    Ko, Jongbin; Lim, Hyunwoo; Lee, Seokjun; Shon, Taeshik

    2014-01-01

    A smart grid is a large, consolidated electrical grid system that includes heterogeneous networks and systems. Based on the data, a smart grid system has a potential security threat in its network connectivity. To solve this problem, we develop and apply a novel scheme to measure the vulnerability in a smart grid domain. Vulnerability quantification can be the first step in security analysis because it can help prioritize the security problems. However, existing vulnerability quantification schemes are not suitable for smart grid because they do not consider network vulnerabilities. We propose a novel attack route-based vulnerability quantification scheme using a network vulnerability score and an end-to-end security score, depending on the specific smart grid network environment to calculate the vulnerability score for a particular attack route. To evaluate the proposed approach, we derive several attack scenarios from the advanced metering infrastructure domain. The experimental results of the proposed approach and the existing common vulnerability scoring system clearly show that we need to consider network connectivity for more optimized vulnerability quantification.

  6. Electric field and dielectrophoretic force on a dielectric particle chain in a parallel-plate electrode system

    International Nuclear Information System (INIS)

    Techaumnat, B; Eua-arporn, B; Takuma, T

    2004-01-01

    This paper presents results of calculations of the electric field and dielectrophoretic force on a dielectric particle chain suspended in a host liquid lying between parallel-plate electrodes. The method of calculation is based on the method of multipole images using the multipole re-expansion technique. We have investigated the effect of the particle permittivity, the tilt angle (between the chain and the applied field) and the chain arrangement on the electric field and force. The results show that the electric field intensification rises in accordance with the increase in the ratio of the particle-to-liquid permittivity, Γ ε . The electric field at the contact point between the particles decreases with increasing tilt angle, while the maximal field at the contact point between the particles and the plate electrodes is almost unchanged. The maximal field can be approximated by a simple formula, which is a quadratic function of Γ ε . The dielectrophoretic force depends significantly on the distance from other particles or an electrode. However, for the tilt angles in this paper, the horizontal force on the upper particle of the chain always has the direction opposite to the shear direction. The maximal horizontal force of a chain varies proportional to (Γ ε - 1) 1.7 if the particles in the chain are still in contact with each other. The approximated force, based on the force on an isolated chain, has been compared with our calculation results. The comparison shows that no approximation model agrees well with our results throughout the range of permittivity ratios

  7. Calculation approaches for grid usage fees to influence the load curve in the distribution grid level

    International Nuclear Information System (INIS)

    Illing, Bjoern

    2014-01-01

    Dominated by the energy policy the decentralized German energy market is changing. One mature target of the government is to increase the contribution of renewable generation to the gross electricity consumption. In order to achieve this target disadvantages like an increased need for capacity management occurs. Load reduction and variable grid fees offer the grid operator solutions to realize capacity management by influencing the load profile. The evolution of the current grid fees towards more causality is required to adapt these approaches. Two calculation approaches are developed in this assignment. On the one hand multivariable grid fees keeping the current components demand and energy charge. Additional to the grid costs grid load dependent parameters like the amount of decentralized feed-ins, time and local circumstances as well as grid capacities are considered. On the other hand the grid fee flat-rate which represents a demand based model on a monthly level. Both approaches are designed to meet the criteria for future grid fees. By means of a case study the effects of the grid fees on the load profile at the low voltage grid is simulated. Thereby the consumption is represented by different behaviour models and the results are scaled at the benchmark grid area. The resulting load curve is analyzed concerning the effects of peak load reduction as well as the integration of renewable energy sources. Additionally the combined effect of grid fees and electricity tariffs is evaluated. Finally the work discusses the launching of grid fees in the tense atmosphere of politics, legislation and grid operation. Results of this work are two calculation approaches designed for grid operators to define the grid fees. Multivariable grid fees are based on the current calculation scheme. Hereby demand and energy charges are weighted by time, locational and load related dependencies. The grid fee flat-rate defines a limitation in demand extraction. Different demand levels

  8. On the absorbing force of magnetic fields acting on magnetic particle under magnetic particle examination

    International Nuclear Information System (INIS)

    Maeda, N.

    1988-01-01

    During the magnetic particle examination, magnetic particles near defects are deposited by an absorbing force of magnetic fields acting on the magnetic particles. Therefore, a quantitative determination of this absorbing force is a theoretical and experimental basis for solving various problems associated with magnetic particle examinations. The absorbing force is formulated based on a magnetic dipole model, and a measuring method of the absorbing force using magnetic fields formed around linear current is proposed. Measurements according to this method produced appropriate results, verifying the validation of the concept and the measuring method

  9. Effects of Force Field Selection on the Computational Ranking of MOFs for CO2 Separations.

    Science.gov (United States)

    Dokur, Derya; Keskin, Seda

    2018-02-14

    Metal-organic frameworks (MOFs) have been considered as highly promising materials for adsorption-based CO 2 separations. The number of synthesized MOFs has been increasing very rapidly. High-throughput molecular simulations are very useful to screen large numbers of MOFs in order to identify the most promising adsorbents prior to extensive experimental studies. Results of molecular simulations depend on the force field used to define the interactions between gas molecules and MOFs. Choosing the appropriate force field for MOFs is essential to make reliable predictions about the materials' performance. In this work, we performed two sets of molecular simulations using the two widely used generic force fields, Dreiding and UFF, and obtained adsorption data of CO 2 /H 2 , CO 2 /N 2 , and CO 2 /CH 4 mixtures in 100 different MOF structures. Using this adsorption data, several adsorbent evaluation metrics including selectivity, working capacity, sorbent selection parameter, and percent regenerability were computed for each MOF. MOFs were then ranked based on these evaluation metrics, and top performing materials were identified. We then examined the sensitivity of the MOF rankings to the force field type. Our results showed that although there are significant quantitative differences between some adsorbent evaluation metrics computed using different force fields, rankings of the top MOF adsorbents for CO 2 separations are generally similar: 8, 8, and 9 out of the top 10 most selective MOFs were found to be identical in the ranking for CO 2 /H 2 , CO 2 /N 2 , and CO 2 /CH 4 separations using Dreiding and UFF. We finally suggested a force field factor depending on the energy parameters of atoms present in the MOFs to quantify the robustness of the simulation results to the force field selection. This easily computable factor will be highly useful to determine whether the results are sensitive to the force field type or not prior to performing computationally demanding

  10. A Wavelet-Based Unified Power Quality Conditioner to Eliminate Wind Turbine Non-Ideality Consequences on Grid-Connected Photovoltaic Systems

    Directory of Open Access Journals (Sweden)

    Bijan Rahmani

    2016-05-01

    Full Text Available The integration of renewable power sources with power grids presents many challenges, such as synchronization with the grid, power quality problems and so on. The shunt active power filter (SAPF can be a solution to address the issue while suppressing the grid-end current harmonics and distortions. Nonetheless, available SAPFs work somewhat unpredictably in practice. This is attributed to the dependency of the SAPF controller on nonlinear complicated equations and two distorted variables, such as load current and voltage, to produce the current reference. This condition will worsen when the plant includes wind turbines which inherently produce 3rd, 5th, 7th and 11th voltage harmonics. Moreover, the inability of the typical phase locked loop (PLL used to synchronize the SAPF reference with the power grid also disrupts SAPF operation. This paper proposes an improved synchronous reference frame (SRF which is equipped with a wavelet-based PLL to control the SAPF, using one variable such as load current. Firstly the fundamental positive sequence of the source voltage, obtained using a wavelet, is used as the input signal of the PLL through an orthogonal signal generator process. Then, the generated orthogonal signals are applied through the SRF-based compensation algorithm to synchronize the SAPF’s reference with power grid. To further force the remained uncompensated grid current harmonics to pass through the SAPF, an improved series filter (SF equipped with a current harmonic suppression loop is proposed. Concurrent operation of the improved SAPF and SF is coordinated through a unified power quality conditioner (UPQC. The DC-link capacitor of the proposed UPQC, used to interconnect a photovoltaic (PV system to the power grid, is regulated by an adaptive controller. Matlab/Simulink results confirm that the proposed wavelet-based UPQC results in purely sinusoidal grid-end currents with total harmonic distortion (THD = 1.29%, which leads to high

  11. Towards A Grid Infrastructure For Hydro-Meteorological Research

    Directory of Open Access Journals (Sweden)

    Michael Schiffers

    2011-01-01

    Full Text Available The Distributed Research Infrastructure for Hydro-Meteorological Study (DRIHMS is a coordinatedaction co-funded by the European Commission. DRIHMS analyzes the main issuesthat arise when designing and setting up a pan-European Grid-based e-Infrastructure for researchactivities in the hydrologic and meteorological fields. The main outcome of the projectis represented first by a set of Grid usage patterns to support innovative hydro-meteorologicalresearch activities, and second by the implications that such patterns define for a dedicatedGrid infrastructure and the respective Grid architecture.

  12. Force-field compensation in a manual tracking task.

    Directory of Open Access Journals (Sweden)

    Valentina Squeri

    2010-06-01

    Full Text Available This study addresses force/movement control in a dynamic "hybrid" task: the master sub-task is continuous manual tracking of a target moving along an eight-shaped Lissajous figure, with the tracking error as the primary performance index; the slave sub-task is compensation of a disturbing curl viscous field, compatibly with the primary performance index. The two sub-tasks are correlated because the lateral force the subject must exert on the eight-shape must be proportional to the longitudinal movement speed in order to perform a good tracking. The results confirm that visuo-manual tracking is characterized by an intermittent control mechanism, in agreement with previous work; the novel finding is that the overall control patterns are not altered by the presence of a large deviating force field, if compared with the undisturbed condition. It is also found that the control of interaction-forces is achieved by a combination of arm stiffness properties and direct force control, as suggested by the systematic lateral deviation of the trajectories from the nominal path and the comparison between perturbed trials and catch trials. The coordination of the two sub-tasks is quickly learnt after the activation of the deviating force field and is achieved by a combination of force and the stiffness components (about 80% vs. 20%, which is a function of the implicit accuracy of the tracking task.

  13. Systematic Parameterization of Lignin for the CHARMM Force Field

    Energy Technology Data Exchange (ETDEWEB)

    Vermaas, Joshua; Petridis, Loukas; Beckham, Gregg; Crowley, Michael

    2017-07-06

    Plant cell walls have three primary components, cellulose, hemicellulose, and lignin, the latter of which is a recalcitrant, aromatic heteropolymer that provides structure to plants, water and nutrient transport through plant tissues, and a highly effective defense against pathogens. Overcoming the recalcitrance of lignin is key to effective biomass deconstruction, which would in turn enable the use of biomass as a feedstock for industrial processes. Our understanding of lignin structure in the plant cell wall is hampered by the limitations of the available lignin forcefields, which currently only account for a single linkage between lignins and lack explicit parameterization for emerging lignin structures both from natural variants and engineered lignin structures. Since polymerization of lignin occurs via radical intermediates, multiple C-O and C-C linkages have been isolated , and the current force field only represents a small subset of lignin the diverse lignin structures found in plants. In order to take into account the wide range of lignin polymerization chemistries, monomers and dimer combinations of C-, H-, G-, and S-lignins as well as with hydroxycinnamic acid linkages were subjected to extensive quantum mechanical calculations to establish target data from which to build a complete molecular mechanics force field tuned specifically for diverse lignins. This was carried out in a GPU-accelerated global optimization process, whereby all molecules were parameterized simultaneously using the same internal parameter set. By parameterizing lignin specifically, we are able to more accurately represent the interactions and conformations of lignin monomers and dimers relative to a general force field. This new force field will enables computational researchers to study the effects of different linkages on the structure of lignin, as well as construct more accurate plant cell wall models based on observed statistical distributions of lignin that differ between

  14. A consistent method for finite volume discretization of body forces on collocated grids applied to flow through an actuator disk

    DEFF Research Database (Denmark)

    Troldborg, Niels; Sørensen, Niels N.; Réthoré, Pierre-Elouan

    2015-01-01

    This paper describes a consistent algorithm for eliminating the numerical wiggles appearing when solving the finite volume discretized Navier-Stokes equations with discrete body forces in a collocated grid arrangement. The proposed method is a modification of the Rhie-Chow algorithm where the for...

  15. Numerical studies of static aeroelastic effects on grid fin aerodynamic performances

    Directory of Open Access Journals (Sweden)

    Chengde HUANG

    2017-08-01

    Full Text Available The grid fin is an unconventional control surface used on missiles and rockets. Although aerodynamics of grid fin has been studied by many researchers, few considers the aeroelastic effects. In this paper, the static aeroelastic simulations are performed by the coupled viscous computational fluid dynamics with structural flexibility method in transonic and supersonic regimes. The developed coupling strategy including fluid–structure interpolation and volume mesh motion schemes is based on radial basis functions. Results are presented for a vertical and a horizontal grid fin mounted on a body. Horizontal fin results show that the deformed fin is swept backward and the axial force is increased. The deformations also induce the movement of center of pressure, causing the reduction and reversal in hinge moment for the transonic flow and the supersonic flow, respectively. For the vertical fin, the local effective incidences are increased due to the deformations so that the deformed normal force is greater than the original one. At high angles of attack, both the deformed and original normal forces experience a sudden reduction due to the interference of leeward separated vortices on the fin. Additionally, the increment in axial force is shown to correlate strongly with the increment in the square of normal force.

  16. Schwarz-Christoffel Conformal Mapping based Grid Generation for Global Oceanic Circulation Models

    Science.gov (United States)

    Xu, Shiming

    2015-04-01

    We propose new grid generation algorithms for global ocean general circulation models (OGCMs). Contrary to conventional, analytical forms based dipolar or tripolar grids, the new algorithm are based on Schwarz-Christoffel (SC) conformal mapping with prescribed boundary information. While dealing with the conventional grid design problem of pole relocation, it also addresses more advanced issues of computational efficiency and the new requirements on OGCM grids arisen from the recent trend of high-resolution and multi-scale modeling. The proposed grid generation algorithm could potentially achieve the alignment of grid lines to coastlines, enhanced spatial resolution in coastal regions, and easier computational load balance. Since the generated grids are still orthogonal curvilinear, they can be readily 10 utilized in existing Bryan-Cox-Semtner type ocean models. The proposed methodology can also be applied to the grid generation task for regional ocean modeling when complex land-ocean distribution is present.

  17. Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics

    Science.gov (United States)

    Yin, Jian; Fenley, Andrew T.; Henriksen, Niel M.; Gilson, Michael K.

    2015-01-01

    Improving the capability of atomistic computer models to predict the thermodynamics of noncovalent binding is critical for successful structure-based drug design, and the accuracy of such calculations remains limited by non-optimal force field parameters. Ideally, one would incorporate protein-ligand affinity data into force field parametrization, but this would be inefficient and costly. We now demonstrate that sensitivity analysis can be used to efficiently tune Lennard-Jones parameters of aqueous host-guest systems for increasingly accurate calculations of binding enthalpy. These results highlight the promise of a comprehensive use of calorimetric host-guest binding data, along with existing validation data sets, to improve force field parameters for the simulation of noncovalent binding, with the ultimate goal of making protein-ligand modeling more accurate and hence speeding drug discovery. PMID:26181208

  18. The MARTINI force field : Coarse grained model for biomolecular simulations

    NARCIS (Netherlands)

    Marrink, Siewert J.; Risselada, H. Jelger; Yefimov, Serge; Tieleman, D. Peter; de Vries, Alex H.

    2007-01-01

    We present an improved and extended version of our coarse grained lipid model. The new version, coined the MARTINI force field, is parametrized in a systematic way, based on the reproduction of partitioning free energies between polar and apolar phases of a large number of chemical compounds. To

  19. dSPACE based adaptive neuro-fuzzy controller of grid interactive inverter

    International Nuclear Information System (INIS)

    Altin, Necmi; Sefa, İbrahim

    2012-01-01

    Highlights: ► We propose a dSPACE based neuro-fuzzy controlled grid interactive inverter. ► The membership functions and rule base of fuzzy logic controller by using ANFIS. ► A LCL output filter is designed. ► A high performance controller is designed. - Abstract: In this study, design, simulation and implementation of a dSPACE based grid interactive voltage source inverter are proposed. This inverter has adaptive neuro-fuzzy controller and capable of importing electrical energy, generated from renewable energy sources such as the wind, the solar and the fuel cells to the grid. A line frequency transformer and a LCL filter are used at the output of the grid interactive inverter which is designed as current controlled to decrease the susceptibility to phase errors. Membership functions and rule base of the fuzzy logic controller, which control the inverter output current, are determined by using artificial neural networks. Both simulation and experimental results show that, the grid interactive inverter operates synchronously with the grid. The inverter output current which is imported to the grid is in sinusoidal waveform and the harmonic level of it meets the international standards (4.3 < 5.0%). In addition, simulation and experimental results of the neuro-fuzzy and the PI controlled inverter are given together and compared in detail. Simulation and experimental results show that the proposed inverter has faster response to the reference variations and lower steady state error than PI controller.

  20. Grid-based Continual Analysis of Molecular Interior for Drug Discovery, QSAR and QSPR.

    Science.gov (United States)

    Potemkin, Andrey V; Grishina, Maria A; Potemkin, Vladimir A

    2017-01-01

    In 1979, R.D.Cramer and M.Milne made a first realization of 3D comparison of molecules by aligning them in space and by mapping their molecular fields to a 3D grid. Further, this approach was developed as the DYLOMMS (Dynamic Lattice- Oriented Molecular Modelling System) approach. In 1984, H.Wold and S.Wold proposed the use of partial least squares (PLS) analysis, instead of principal component analysis, to correlate the field values with biological activities. Then, in 1988, the method which was called CoMFA (Comparative Molecular Field Analysis) was introduced and the appropriate software became commercially available. Since 1988, a lot of 3D QSAR methods, algorithms and their modifications are introduced for solving of virtual drug discovery problems (e.g., CoMSIA, CoMMA, HINT, HASL, GOLPE, GRID, PARM, Raptor, BiS, CiS, ConGO,). All the methods can be divided into two groups (classes):1. Methods studying the exterior of molecules; 2) Methods studying the interior of molecules. A series of grid-based computational technologies for Continual Molecular Interior analysis (CoMIn) are invented in the current paper. The grid-based analysis is fulfilled by means of a lattice construction analogously to many other grid-based methods. The further continual elucidation of molecular structure is performed in various ways. (i) In terms of intermolecular interactions potentials. This can be represented as a superposition of Coulomb, Van der Waals interactions and hydrogen bonds. All the potentials are well known continual functions and their values can be determined in all lattice points for a molecule. (ii) In the terms of quantum functions such as electron density distribution, Laplacian and Hamiltonian of electron density distribution, potential energy distribution, the highest occupied and the lowest unoccupied molecular orbitals distribution and their superposition. To reduce time of calculations using quantum methods based on the first principles, an original quantum

  1. A bidirectional brain-machine interface algorithm that approximates arbitrary force-fields.

    Directory of Open Access Journals (Sweden)

    Alessandro Vato

    Full Text Available We examine bidirectional brain-machine interfaces that control external devices in a closed loop by decoding motor cortical activity to command the device and by encoding the state of the device by delivering electrical stimuli to sensory areas. Although it is possible to design this artificial sensory-motor interaction while maintaining two independent channels of communication, here we propose a rule that closes the loop between flows of sensory and motor information in a way that approximates a desired dynamical policy expressed as a field of forces acting upon the controlled external device. We previously developed a first implementation of this approach based on linear decoding of neural activity recorded from the motor cortex into a set of forces (a force field applied to a point mass, and on encoding of position of the point mass into patterns of electrical stimuli delivered to somatosensory areas. However, this previous algorithm had the limitation that it only worked in situations when the position-to-force map to be implemented is invertible. Here we overcome this limitation by developing a new non-linear form of the bidirectional interface that can approximate a virtually unlimited family of continuous fields. The new algorithm bases both the encoding of position information and the decoding of motor cortical activity on an explicit map between spike trains and the state space of the device computed with Multi-Dimensional-Scaling. We present a detailed computational analysis of the performance of the interface and a validation of its robustness by using synthetic neural responses in a simulated sensory-motor loop.

  2. Force-free magnetic fields - The magneto-frictional method

    Science.gov (United States)

    Yang, W. H.; Sturrock, P. A.; Antiochos, S. K.

    1986-01-01

    The problem under discussion is that of calculating magnetic field configurations in which the Lorentz force j x B is everywhere zero, subject to specified boundary conditions. We choose to represent the magnetic field in terms of Clebsch variables in the form B = grad alpha x grad beta. These variables are constant on any field line so that each field line is labeled by the corresponding values of alpha and beta. When the field is described in this way, the most appropriate choice of boundary conditions is to specify the values of alpha and beta on the bounding surface. We show that such field configurations may be calculated by a magneto-frictional method. We imagine that the field lines move through a stationary medium, and that each element of magnetic field is subject to a frictional force parallel to and opposing the velocity of the field line. This concept leads to an iteration procedure for modifying the variables alpha and beta, that tends asymptotically towards the force-free state. We apply the method first to a simple problem in two rectangular dimensions, and then to a problem of cylindrical symmetry that was previously discussed by Barnes and Sturrock (1972). In one important respect, our new results differ from the earlier results of Barnes and Sturrock, and we conclude that the earlier article was in error.

  3. Explicit polarization: a quantum mechanical framework for developing next generation force fields.

    Science.gov (United States)

    Gao, Jiali; Truhlar, Donald G; Wang, Yingjie; Mazack, Michael J M; Löffler, Patrick; Provorse, Makenzie R; Rehak, Pavel

    2014-09-16

    Conspectus Molecular mechanical force fields have been successfully used to model condensed-phase and biological systems for a half century. By means of careful parametrization, such classical force fields can be used to provide useful interpretations of experimental findings and predictions of certain properties. Yet, there is a need to further improve computational accuracy for the quantitative prediction of biomolecular interactions and to model properties that depend on the wave functions and not just the energy terms. A new strategy called explicit polarization (X-Pol) has been developed to construct the potential energy surface and wave functions for macromolecular and liquid-phase simulations on the basis of quantum mechanics rather than only using quantum mechanical results to fit analytic force fields. In this spirit, this approach is called a quantum mechanical force field (QMFF). X-Pol is a general fragment method for electronic structure calculations based on the partition of a condensed-phase or macromolecular system into subsystems ("fragments") to achieve computational efficiency. Here, intrafragment energy and the mutual electronic polarization of interfragment interactions are treated explicitly using quantum mechanics. X-Pol can be used as a general, multilevel electronic structure model for macromolecular systems, and it can also serve as a new-generation force field. As a quantum chemical model, a variational many-body (VMB) expansion approach is used to systematically improve interfragment interactions, including exchange repulsion, charge delocalization, dispersion, and other correlation energies. As a quantum mechanical force field, these energy terms are approximated by empirical functions in the spirit of conventional molecular mechanics. This Account first reviews the formulation of X-Pol, in the full variationally correct version, in the faster embedded version, and with systematic many-body improvements. We discuss illustrative examples

  4. Hybrid method based on embedded coupled simulation of vortex particles in grid based solution

    Science.gov (United States)

    Kornev, Nikolai

    2017-09-01

    The paper presents a novel hybrid approach developed to improve the resolution of concentrated vortices in computational fluid mechanics. The method is based on combination of a grid based and the grid free computational vortex (CVM) methods. The large scale flow structures are simulated on the grid whereas the concentrated structures are modeled using CVM. Due to this combination the advantages of both methods are strengthened whereas the disadvantages are diminished. The procedure of the separation of small concentrated vortices from the large scale ones is based on LES filtering idea. The flow dynamics is governed by two coupled transport equations taking two-way interaction between large and fine structures into account. The fine structures are mapped back to the grid if their size grows due to diffusion. Algorithmic aspects of the hybrid method are discussed. Advantages of the new approach are illustrated on some simple two dimensional canonical flows containing concentrated vortices.

  5. Recent Advances of MEMS Resonators for Lorentz Force Based Magnetic Field Sensors: Design, Applications and Challenges

    Directory of Open Access Journals (Sweden)

    Agustín Leobardo Herrera-May

    2016-08-01

    Full Text Available Microelectromechanical systems (MEMS resonators have allowed the development of magnetic field sensors with potential applications such as biomedicine, automotive industry, navigation systems, space satellites, telecommunications and non-destructive testing. We present a review of recent magnetic field sensors based on MEMS resonators, which operate with Lorentz force. These sensors have a compact structure, wide measurement range, low energy consumption, high sensitivity and suitable performance. The design methodology, simulation tools, damping sources, sensing techniques and future applications of magnetic field sensors are discussed. The design process is fundamental in achieving correct selection of the operation principle, sensing technique, materials, fabrication process and readout systems of the sensors. In addition, the description of the main sensing systems and challenges of the MEMS sensors are discussed. To develop the best devices, researches of their mechanical reliability, vacuum packaging, design optimization and temperature compensation circuits are needed. Future applications will require multifunctional sensors for monitoring several physical parameters (e.g., magnetic field, acceleration, angular ratio, humidity, temperature and gases.

  6. Energy of Force-Free Magnetic Fields in Relation to Coronal Mass Ejections

    International Nuclear Information System (INIS)

    Choe, G.S.; Cheng, C.Z.

    2002-01-01

    In typical observations of coronal mass ejections (CMEs), a magnetic structure of a helmet-shaped closed configuration bulges out and eventually opens up. However, a spontaneous transition between these field configurations has been regarded to be energetically impossible in force-free fields according to the Aly-Sturrock theorem. The theorem states that the maximum energy state of force-free fields with a given boundary normal field distribution is the open field. The theorem implicitly assumes the existence of the maximum energy state, which may not be taken for granted. In this study, we have constructed force-free fields containing tangential discontinuities in multiple flux systems. These force-free fields can be generated from a potential field by footpoint motions that do not conserve the boundary normal field distribution. Some of these force-free fields are found to have more magnetic energy than the corresponding open fields. The constructed force-free configurations are compared with observational features of CME-bearing active regions. Possible mechanisms of CMEs are also discussed

  7. Agent based approach for engineering and control of micro-grids

    International Nuclear Information System (INIS)

    Basso, Gillian

    2013-01-01

    Energy management is, nowadays, a subject of uttermost importance. Indeed, we are facing growing concerns such as petroleum reserve depletion, earth global warming or power quality (e.g. avoiding blackouts during peak times). Smart grids is an attempt to solve such problems, by adding to power grids bidirectional communications and ICT capabilities in order to provide an intelligent autonomic management for the grid. This thesis focuses on the management of micro-grids thanks to multi-agent systems (MAS). Micro-grids are low-power networks, composed of small and decentralized energy producers (possibly renewable) and consumers. These networks can be connected to the main grid or islanded, this make them more complex. Due to their complexity and their geographical distribution, smart grids and micro-grids can not be easily managed by a centralized system. Distributed artificial intelligences especially MAS appear to be a solution to resolve problems related to smart grids. Firstly we defined an approach implementing feedback loops. These feedback loops exist in complex systems which can be defined with several abstraction levels. Two levels are interacting. The micro-level contains a set of agents owning behaviours that can be combined. The result of the combination impact the state of the system. The macro-level processes these influences to define a new state of the system which will impact the agents behaviours at the micro-level. This feedback loop separates behaviours on several levels. This approach is used to defined a demand and supply matching problem in micro-grid. This problem afford to manage a set of goals which currently are independently processed. Finally, an application is developed using MAS that ensures grid stability thanks to storage systems. This application was thought to be integrated to the approach detailed above. Secondly, a grid simulator id developed. This simulator allows dynamic control of devices. It is based on three main principles

  8. Nanomaterials for in vivo imaging of mechanical forces and electrical fields

    Science.gov (United States)

    Mehlenbacher, Randy D.; Kolbl, Rea; Lay, Alice; Dionne, Jennifer A.

    2018-02-01

    Cellular signalling is governed in large part by mechanical forces and electromagnetic fields. Mechanical forces play a critical role in cell differentiation, tissue organization and diseases such as cancer and heart disease; electrical fields are essential for intercellular communication, muscle contraction, neural signalling and sensory perception. Therefore, quantifying a biological system's forces and fields is crucial for understanding physiology and disease pathology and for developing medical tools for repair and recovery. This Review highlights advances in sensing mechanical forces and electrical fields in vivo, focusing on optical probes. The emergence of biocompatible optical probes, such as genetically encoded voltage indicators, molecular rotors, fluorescent dyes, semiconducting nanoparticles, plasmonic nanoparticles and lanthanide-doped upconverting nanoparticles, offers exciting opportunities to push the limits of spatial and temporal resolution, stability, multi-modality and stimuli sensitivity in bioimaging. We further discuss the materials design principles behind these probes and compare them across various metrics to facilitate sensor selection. Finally, we examine which advances are necessary to fully unravel the role of mechanical forces and electrical fields in vivo, such as the ability to probe the vectorial nature of forces, the development of combined force and field sensors, and the design of efficient optical actuators.

  9. Development of fine-resolution analyses and expanded large-scale forcing properties: 2. Scale awareness and application to single-column model experiments

    Science.gov (United States)

    Feng, Sha; Li, Zhijin; Liu, Yangang; Lin, Wuyin; Zhang, Minghua; Toto, Tami; Vogelmann, Andrew M.; Endo, Satoshi

    2015-01-01

    three-dimensional fields have been produced using the Community Gridpoint Statistical Interpolation (GSI) data assimilation system for the U.S. Department of Energy's Atmospheric Radiation Measurement Program (ARM) Southern Great Plains region. The GSI system is implemented in a multiscale data assimilation framework using the Weather Research and Forecasting model at a cloud-resolving resolution of 2 km. From the fine-resolution three-dimensional fields, large-scale forcing is derived explicitly at grid-scale resolution; a subgrid-scale dynamic component is derived separately, representing subgrid-scale horizontal dynamic processes. Analyses show that the subgrid-scale dynamic component is often a major component over the large-scale forcing for grid scales larger than 200 km. The single-column model (SCM) of the Community Atmospheric Model version 5 is used to examine the impact of the grid-scale and subgrid-scale dynamic components on simulated precipitation and cloud fields associated with a mesoscale convective system. It is found that grid-scale size impacts simulated precipitation, resulting in an overestimation for grid scales of about 200 km but an underestimation for smaller grids. The subgrid-scale dynamic component has an appreciable impact on the simulations, suggesting that grid-scale and subgrid-scale dynamic components should be considered in the interpretation of SCM simulations.

  10. Martini Force Field Parameters for Glycolipids

    NARCIS (Netherlands)

    Lopez, Cesar A.; Sovova, Zofie; van Eerden, Floris J.; de Vries, Alex H.; Marrink, Siewert J.

    We present an extension of the Martini coarse-grained force field to glycolipids. The glycolipids considered here are the glycoglycerolipids monogalactosyldiacylglycerol (MGDG), sulfoquinovosyldiacylglycerol (SQDG), digalactosyldiacylglycerol (DGDG), and phosphatidylinositol (PI) and its

  11. Smart grid security

    CERN Document Server

    Goel, Sanjay; Papakonstantinou, Vagelis; Kloza, Dariusz

    2015-01-01

    This book on smart grid security is meant for a broad audience from managers to technical experts. It highlights security challenges that are faced in the smart grid as we widely deploy it across the landscape. It starts with a brief overview of the smart grid and then discusses some of the reported attacks on the grid. It covers network threats, cyber physical threats, smart metering threats, as well as privacy issues in the smart grid. Along with the threats the book discusses the means to improve smart grid security and the standards that are emerging in the field. The second part of the b

  12. OGC and Grid Interoperability in enviroGRIDS Project

    Science.gov (United States)

    Gorgan, Dorian; Rodila, Denisa; Bacu, Victor; Giuliani, Gregory; Ray, Nicolas

    2010-05-01

    EnviroGRIDS (Black Sea Catchment Observation and Assessment System supporting Sustainable Development) [1] is a 4-years FP7 Project aiming to address the subjects of ecologically unsustainable development and inadequate resource management. The project develops a Spatial Data Infrastructure of the Black Sea Catchment region. The geospatial technologies offer very specialized functionality for Earth Science oriented applications as well as the Grid oriented technology that is able to support distributed and parallel processing. One challenge of the enviroGRIDS project is the interoperability between geospatial and Grid infrastructures by providing the basic and the extended features of the both technologies. The geospatial interoperability technology has been promoted as a way of dealing with large volumes of geospatial data in distributed environments through the development of interoperable Web service specifications proposed by the Open Geospatial Consortium (OGC), with applications spread across multiple fields but especially in Earth observation research. Due to the huge volumes of data available in the geospatial domain and the additional introduced issues (data management, secure data transfer, data distribution and data computation), the need for an infrastructure capable to manage all those problems becomes an important aspect. The Grid promotes and facilitates the secure interoperations of geospatial heterogeneous distributed data within a distributed environment, the creation and management of large distributed computational jobs and assures a security level for communication and transfer of messages based on certificates. This presentation analysis and discusses the most significant use cases for enabling the OGC Web services interoperability with the Grid environment and focuses on the description and implementation of the most promising one. In these use cases we give a special attention to issues such as: the relations between computational grid and

  13. The eGo grid model: An open source approach towards a model of German high and extra-high voltage power grids

    Science.gov (United States)

    Mueller, Ulf Philipp; Wienholt, Lukas; Kleinhans, David; Cussmann, Ilka; Bunke, Wolf-Dieter; Pleßmann, Guido; Wendiggensen, Jochen

    2018-02-01

    There are several power grid modelling approaches suitable for simulations in the field of power grid planning. The restrictive policies of grid operators, regulators and research institutes concerning their original data and models lead to an increased interest in open source approaches of grid models based on open data. By including all voltage levels between 60 kV (high voltage) and 380kV (extra high voltage), we dissolve the common distinction between transmission and distribution grid in energy system models and utilize a single, integrated model instead. An open data set for primarily Germany, which can be used for non-linear, linear and linear-optimal power flow methods, was developed. This data set consists of an electrically parameterised grid topology as well as allocated generation and demand characteristics for present and future scenarios at high spatial and temporal resolution. The usability of the grid model was demonstrated by the performance of exemplary power flow optimizations. Based on a marginal cost driven power plant dispatch, being subject to grid restrictions, congested power lines were identified. Continuous validation of the model is nescessary in order to reliably model storage and grid expansion in progressing research.

  14. Generalized force in classical field theory. [Euler-Lagrange equations

    Energy Technology Data Exchange (ETDEWEB)

    Krause, J [Universidad Central de Venezuela, Caracas

    1976-02-01

    The source strengths of the Euler-Lagrange equations, for a system of interacting fields, are heuristically interpreted as generalized forces. The canonical form of the energy-momentum tensor thus consistently appears, without recourse to space-time symmetry arguments. A concept of 'conservative' generalized force in classical field theory is also briefly discussed.

  15. Force-Field Prediction of Materials Properties in Metal-Organic Frameworks

    Science.gov (United States)

    2016-01-01

    In this work, MOF bulk properties are evaluated and compared using several force fields on several well-studied MOFs, including IRMOF-1 (MOF-5), IRMOF-10, HKUST-1, and UiO-66. It is found that, surprisingly, UFF and DREIDING provide good values for the bulk modulus and linear thermal expansion coefficients for these materials, excluding those that they are not parametrized for. Force fields developed specifically for MOFs including UFF4MOF, BTW-FF, and the DWES force field are also found to provide accurate values for these materials’ properties. While we find that each force field offers a moderately good picture of these properties, noticeable deviations can be observed when looking at properties sensitive to framework vibrational modes. This observation is more pronounced upon the introduction of framework charges. PMID:28008758

  16. Communication: Multiple atomistic force fields in a single enhanced sampling simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hoang Viet, Man [Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202 (United States); Derreumaux, Philippe, E-mail: philippe.derreumaux@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France); Institut Universitaire de France, 103 Bvd Saint-Germain, 75005 Paris (France); Nguyen, Phuong H., E-mail: phuong.nguyen@ibpc.fr [Laboratoire de Biochimie Théorique, UPR 9080, CNRS, Université Denis Diderot, Sorbonne Paris Cité IBPC, 13 rue Pierre et Marie Curie, 75005 Paris (France)

    2015-07-14

    The main concerns of biomolecular dynamics simulations are the convergence of the conformational sampling and the dependence of the results on the force fields. While the first issue can be addressed by employing enhanced sampling techniques such as simulated tempering or replica exchange molecular dynamics, repeating these simulations with different force fields is very time consuming. Here, we propose an automatic method that includes different force fields into a single advanced sampling simulation. Conformational sampling using three all-atom force fields is enhanced by simulated tempering and by formulating the weight parameters of the simulated tempering method in terms of the energy fluctuations, the system is able to perform random walk in both temperature and force field spaces. The method is first demonstrated on a 1D system and then validated by the folding of the 10-residue chignolin peptide in explicit water.

  17. Surface electric fields and geomagnetically induced currents in the Scottish Power grid during the 30 October 2003 geomagnetic storm

    OpenAIRE

    Thomson, Alan W.P.; McKay, Allan J.; Clarke, Ellen; Reay, Sarah J.

    2005-01-01

    A surface electric field model is used to estimate the UK surface E field during the 30 October 2003 severe geomagnetic storm. This model is coupled with a power grid model to determine the flow of geomagnetically induced currents (GIC) through the Scottish part of the UK grid. Model data are compared with GIC measurements at four sites in the power network. During this storm, measured and modeled GIC levels exceeded 40 A, and the surface electric field reached 5 V/km at sites in ...

  18. Coupled B-snake grids and constrained thin-plate splines for analysis of 2-D tissue deformations from tagged MRI.

    Science.gov (United States)

    Amini, A A; Chen, Y; Curwen, R W; Mani, V; Sun, J

    1998-06-01

    Magnetic resonance imaging (MRI) is unique in its ability to noninvasively and selectively alter tissue magnetization and create tagged patterns within a deforming body such as the heart muscle. The resulting patterns define a time-varying curvilinear coordinate system on the tissue, which we track with coupled B-snake grids. B-spline bases provide local control of shape, compact representation, and parametric continuity. Efficient spline warps are proposed which warp an area in the plane such that two embedded snake grids obtained from two tagged frames are brought into registration, interpolating a dense displacement vector field. The reconstructed vector field adheres to the known displacement information at the intersections, forces corresponding snakes to be warped into one another, and for all other points in the plane, where no information is available, a C1 continuous vector field is interpolated. The implementation proposed in this paper improves on our previous variational-based implementation and generalizes warp methods to include biologically relevant contiguous open curves, in addition to standard landmark points. The methods are validated with a cardiac motion simulator, in addition to in-vivo tagging data sets.

  19. Service Oriented Gridded Atmospheric Radiances (SOAR)

    Science.gov (United States)

    Halem, M.; Goldberg, M. D.; Tilmes, C.; Zhou, L.; Shen, S.; Yesha, Y.

    2005-12-01

    We are developing a scalable web service tool that can provide complex griding services on-demand for atmospheric radiance data sets from multiple temperature and moisture sounding sensors on the NASA and NOAA polar orbiting satellites collected over the past three decades. This server-to-server middle ware tool will provide the framework for transforming user requests for an arbitrary spatial/temporal/spectral gridded radiance data set from one or more instruments into an action to invoke a griding process from a set of scientifically validated application programs that have been developed to perform such functions. The invoked web service agents will access, subset, concatenate, convolve, perform statistical and physically based griding operations and present the data as specified level 3 gridded fields for analysis and visualization in multiple formats. Examples of the griding operations consist of spatial-temporal radiance averaging accounting for the field of view instrument response function, first footprint in grid bin, selecting min/max brightness temperatures within a grid element, ratios of channels, filtering, convolving high resolution spectral radiances to match broader band spectral radiances, limb adjustments, calculating variances of radiances falling in grid box and creating visual displays of these fields. The gridded web services tool will support both human input through a WWW GUI as well as a direct computer request through a W3C SOAP/XML web service interface. It will generate regional and global gridded data sets on demand. A second effort will demonstrate the ability to locate, access, subset and grid radiance data for any time period and resolution from remote archives of NOAA and NASA data. The system will queue the work flow requests, stage processing and delivery of arbitrary gridded data sets in a data base and notify the users when the request is completed. This tool will greatly expand satellite sounding data utilization by

  20. Dynamics of solar magnetic fields. VI. Force-free magnetic fields and motions of magnetic foot-points

    International Nuclear Information System (INIS)

    Low, B.C.; Nakagawa, Y.

    1975-01-01

    A mathematical model is developed to consider the evolution of force-free magnetic fields in relation to the displacements of their foot-points. For a magnetic field depending on only two Cartesian coordinates and time, the problem reduces to solving a nonlinear elliptic partial differential equation. As illustration of the physical process, two specific examples of evolving force-free magnetic fields are examined in detail, one evolving with rising and the other with descending field lines. It is shown that these two contrasting behaviors of the field lines correspond to sheared motions of their foot-points of quite different characters. The physical implications of these two examples of evolving force-free magnetic fields are discussed. (auth)

  1. Grid generation method to calculate the flow field in a three-dimensional cascade of blades. Sanjigen yokuretsu nagare keisan no tame no koshi keisei

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, K [National Aerospace Laboratory, Tokyo (Japan)

    1992-05-01

    For the purpose of developing a fan for an engine with ultra-high by-pass ratio, the design code of three-dimensional cascade of blades based on the Navier-Stokes equation has already been developed. This paper describes a method created by calculation grids which are part of this design code. This method is to generate boundary fitted grids to calculate the flow field across a cascade of blades placed radially in the axially symmetric space between hub and casing. In this method, one-period domain of the cascade of blades is mapped on a box in computational space by a series of combined streching transformation and conformal mapping. The grid in physical space is then obtained by successive inverse conformal mapping on the grid points in computational space. The grid obtained in this method is H-type and has a periodicity which includes the inclination of grid lines at the periodic boundary. As an example of the grid generated by this method, grids for primary and secondary models of the fan with ultra-high by-pass ratio are shown. 6 refs., 12 figs.

  2. Grid generation method to calculate the flow field in a three-dimensional cascade of blades; Sanjigen yokuretsu nagare keisan no tame no koshi keisei

    Energy Technology Data Exchange (ETDEWEB)

    Inoue, K [National Aerospace Laboratory, Tokyo (Japan)

    1992-05-01

    For the purpose of developing a fan for an engine with ultra-high by-pass ratio, the design code of three-dimensional cascade of blades based on the Navier-Stokes equation has already been developed. This paper describes a method created by calculation grids which are part of this design code. This method is to generate boundary fitted grids to calculate the flow field across a cascade of blades placed radially in the axially symmetric space between hub and casing. In this method, one-period domain of the cascade of blades is mapped on a box in computational space by a series of combined streching transformation and conformal mapping. The grid in physical space is then obtained by successive inverse conformal mapping on the grid points in computational space. The grid obtained in this method is H-type and has a periodicity which includes the inclination of grid lines at the periodic boundary. As an example of the grid generated by this method, grids for primary and secondary models of the fan with ultra-high by-pass ratio are shown. 6 refs., 12 figs.

  3. CDF GlideinWMS usage in Grid computing of high energy physics

    International Nuclear Information System (INIS)

    Zvada, Marian; Sfiligoi, Igor; Benjamin, Doug

    2010-01-01

    Many members of large science collaborations already have specialized grids available to advance their research in the need of getting more computing resources for data analysis. This has forced the Collider Detector at Fermilab (CDF) collaboration to move beyond the usage of dedicated resources and start exploiting Grid resources. Nowadays, CDF experiment is increasingly relying on glidein-based computing pools for data reconstruction. Especially, Monte Carlo production and user data analysis, serving over 400 users by central analysis farm middleware (CAF) on the top of Condor batch system and CDF Grid infrastructure. Condor is designed as distributed architecture and its glidein mechanism of pilot jobs is ideal for abstracting the Grid computing by making a virtual private computing pool. We would like to present the first production use of the generic pilot-based Workload Management System (glideinWMS), which is an implementation of the pilot mechanism based on the Condor distributed infrastructure. CDF Grid computing uses glideinWMS for its data reconstruction on the FNAL campus Grid, user analysis and Monte Carlo production across Open Science Grid (OSG). We review this computing model and setup used including CDF specific configuration within the glideinWMS system which provides powerful scalability and makes Grid computing working like in a local batch environment with ability to handle more than 10000 running jobs at a time.

  4. Grid-based platform for training in Earth Observation

    Science.gov (United States)

    Petcu, Dana; Zaharie, Daniela; Panica, Silviu; Frincu, Marc; Neagul, Marian; Gorgan, Dorian; Stefanut, Teodor

    2010-05-01

    GiSHEO platform [1] providing on-demand services for training and high education in Earth Observation is developed, in the frame of an ESA funded project through its PECS programme, to respond to the needs of powerful education resources in remote sensing field. It intends to be a Grid-based platform of which potential for experimentation and extensibility are the key benefits compared with a desktop software solution. Near-real time applications requiring simultaneous multiple short-time-response data-intensive tasks, as in the case of a short time training event, are the ones that are proved to be ideal for this platform. The platform is based on Globus Toolkit 4 facilities for security and process management, and on the clusters of four academic institutions involved in the project. The authorization uses a VOMS service. The main public services are the followings: the EO processing services (represented through special WSRF-type services); the workflow service exposing a particular workflow engine; the data indexing and discovery service for accessing the data management mechanisms; the processing services, a collection allowing easy access to the processing platform. The WSRF-type services for basic satellite image processing are reusing free image processing tools, OpenCV and GDAL. New algorithms and workflows were develop to tackle with challenging problems like detecting the underground remains of old fortifications, walls or houses. More details can be found in [2]. Composed services can be specified through workflows and are easy to be deployed. The workflow engine, OSyRIS (Orchestration System using a Rule based Inference Solution), is based on DROOLS, and a new rule-based workflow language, SILK (SImple Language for worKflow), has been built. Workflow creation in SILK can be done with or without a visual designing tools. The basics of SILK are the tasks and relations (rules) between them. It is similar with the SCUFL language, but not relying on XML in

  5. Soil Erosion Estimation Using Grid-based Computation

    Directory of Open Access Journals (Sweden)

    Josef Vlasák

    2005-06-01

    Full Text Available Soil erosion estimation is an important part of a land consolidation process. Universal soil loss equation (USLE was presented by Wischmeier and Smith. USLE computation uses several factors, namely R – rainfall factor, K – soil erodability, L – slope length factor, S – slope gradient factor, C – cropping management factor, and P – erosion control management factor. L and S factors are usually combined to one LS factor – Topographic factor. The single factors are determined from several sources, such as DTM (Digital Terrain Model, BPEJ – soil type map, aerial and satellite images, etc. A conventional approach to the USLE computation, which is widely used in the Czech Republic, is based on the selection of characteristic profiles for which all above-mentioned factors must be determined. The result (G – annual soil loss of such computation is then applied for a whole area (slope of interest. Another approach to the USLE computation uses grids as a main data-structure. A prerequisite for a grid-based USLE computation is that each of the above-mentioned factors exists as a separate grid layer. The crucial step in this computation is a selection of appropriate grid resolution (grid cell size. A large cell size can cause an undesirable precision degradation. Too small cell size can noticeably slow down the whole computation. Provided that the cell size is derived from the source’s precision, the appropriate cell size for the Czech Republic varies from 30m to 50m. In some cases, especially when new surveying was done, grid computations can be performed with higher accuracy, i.e. with a smaller grid cell size. In such case, we have proposed a new method using the two-step computation. The first step computation uses a bigger cell size and is designed to identify higher erosion spots. The second step then uses a smaller cell size but it make the computation only the area identified in the previous step. This decomposition allows a

  6. Novel System for Bite-Force Sensing and Monitoring Based on Magnetic Near Field Communication

    Directory of Open Access Journals (Sweden)

    Jesús Sanz Maudes

    2012-08-01

    Full Text Available Intraoral devices for bite-force sensing have several applications in odontology and maxillofacial surgery, as bite-force measurements provide additional information to help understand the characteristics of bruxism disorders and can also be of help for the evaluation of post-surgical evolution and for comparison of alternative treatments. A new system for measuring human bite forces is proposed in this work. This system has future applications for the monitoring of bruxism events and as a complement for its conventional diagnosis. Bruxism is a pathology consisting of grinding or tight clenching of the upper and lower teeth, which leads to several problems such as lesions to the teeth, headaches, orofacial pain and important disorders of the temporomandibular joint. The prototype uses a magnetic field communication scheme similar to low-frequency radio frequency identification (RFID technology (NFC. The reader generates a low-frequency magnetic field that is used as the information carrier and powers the sensor. The system is notable because it uses an intra-mouth passive sensor and an external interrogator, which remotely records and processes information regarding a patient’s dental activity. This permits a quantitative assessment of bite-force, without requiring intra-mouth batteries, and can provide supplementary information to polysomnographic recordings, current most adequate early diagnostic method, so as to initiate corrective actions before irreversible dental wear appears. In addition to describing the system’s operational principles and the manufacture of personalized prototypes, this report will also demonstrate the feasibility of the system and results from the first in vitro and in vivo trials.

  7. A Basic Experiment on Two-Dimensional Force of HTSC-Bulk in DC Magnetic-Field

    OpenAIRE

    吉田, 欣二郎; 松田, 茂雄; 松本, 洋和

    2000-01-01

    High temperature superconducting (HTSC) bulk can levitate stably on a track which consists of permanent magnets of the same polarity. This is because HTSC-bulk has a pinning force which keeps from vertical displacement due to the weight. We have proposed a new LSM theory which is based on an idea of considering the pinning force as synchronizing force in using armature travelling-magnetic-field instead of permanent magnets. However, the lift force enough to levitate the vehicle on the ground ...

  8. Security and privacy in smart grids

    CERN Document Server

    Xiao, Yang

    2013-01-01

    Presenting the work of prominent researchers working on smart grids and related fields around the world, Security and Privacy in Smart Grids identifies state-of-the-art approaches and novel technologies for smart grid communication and security. It investigates the fundamental aspects and applications of smart grid security and privacy and reports on the latest advances in the range of related areas-making it an ideal reference for students, researchers, and engineers in these fields. The book explains grid security development and deployment and introduces novel approaches for securing today'

  9. Temperature field due to time-dependent heat sources in a large rectangular grid - Derivation of analytical solution

    International Nuclear Information System (INIS)

    Claesson, J.; Probert, T.

    1996-01-01

    The temperature field in rock due to a large rectangular grid of heat releasing canisters containing nuclear waste is studied. The solution is by superposition divided into different parts. There is a global temperature field due to the large rectangular canister area, while a local field accounts for the remaining heat source problem. The global field is reduced to a single integral. The local field is also solved analytically using solutions for a finite line heat source and for an infinite grid of point sources. The local solution is reduced to three parts, each of which depends on two spatial coordinates only. The temperatures at the envelope of a canister are given by a single thermal resistance, which is given by an explicit formula. The results are illustrated by a few numerical examples dealing with the KBS-3 concept for storage of nuclear waste. 8 refs

  10. Real Time Load Optimisation of Cable Based Transmission Grids

    DEFF Research Database (Denmark)

    Olsen, Rasmus Schmidt; Holbøll, Joachim; Guðmundsdottir, Unnur Stella

    2011-01-01

    Energinet.dk has launched an investigation of dynamic current ratings of cable based transmission grids, where both internal and external parameters are variables. The first topic was to investigate state of the art within calculating the current carrying capacity (ampacity or loadability......) of cables embedded in larger cable systems. Some recently published research has been concerned with dynamic loadability, but such researches are based on many assumptions. It is shown in the paper, that only limited research has been concerned with larger cable grids, and no remarkable work could been...

  11. A new united atom force field for adsorption of alkenes in zeolites

    NARCIS (Netherlands)

    Liu, B.; Smit, B.; Rey, F.; Valencia, S.; Calero, S.

    2008-01-01

    A new united atom force field was developed that accurately describes the adsorption properties of linear alkenes in zeolites. The force field was specifically designed for use in the inhomogeneous system and therefore a truncated and shifted potential was used. With the determined force field, we

  12. MICROARRAY IMAGE GRIDDING USING GRID LINE REFINEMENT TECHNIQUE

    Directory of Open Access Journals (Sweden)

    V.G. Biju

    2015-05-01

    Full Text Available An important stage in microarray image analysis is gridding. Microarray image gridding is done to locate sub arrays in a microarray image and find co-ordinates of spots within each sub array. For accurate identification of spots, most of the proposed gridding methods require human intervention. In this paper a fully automatic gridding method which enhances spot intensity in the preprocessing step as per a histogram based threshold method is used. The gridding step finds co-ordinates of spots from horizontal and vertical profile of the image. To correct errors due to the grid line placement, a grid line refinement technique is proposed. The algorithm is applied on different image databases and results are compared based on spot detection accuracy and time. An average spot detection accuracy of 95.06% depicts the proposed method’s flexibility and accuracy in finding the spot co-ordinates for different database images.

  13. Solitons in a random force field

    International Nuclear Information System (INIS)

    Bass, F.G.; Konotop, V.V.; Sinitsyn, Y.A.

    1985-01-01

    We study the dynamics of a soliton of the sine-Gordon equation in a random force field in the adiabatic approximation. We obtain an Einstein-Fokker equation and find the distribution function for the soliton parameters which we use to evaluate its statistical characteristics. We derive an equation for the averaged functions of the soliton parameters. We determine the limits of applicability of the delta-correlated in time random field approximation

  14. Stable grid refinement and singular source discretization for seismic wave simulations

    Energy Technology Data Exchange (ETDEWEB)

    Petersson, N A; Sjogreen, B

    2009-10-30

    An energy conserving discretization of the elastic wave equation in second order formulation is developed for a composite grid, consisting of a set of structured rectangular component grids with hanging nodes on the grid refinement interface. Previously developed summation-by-parts properties are generalized to devise a stable second order accurate coupling of the solution across mesh refinement interfaces. The discretization of singular source terms of point force and point moment tensor type are also studied. Based on enforcing discrete moment conditions that mimic properties of the Dirac distribution and its gradient, previous single grid formulas are generalized to work in the vicinity of grid refinement interfaces. These source discretization formulas are shown to give second order accuracy in the solution, with the error being essentially independent of the distance between the source and the grid refinement boundary. Several numerical examples are given to illustrate the properties of the proposed method.

  15. The more the merrier: grid based modelling of Kepler dwarfs with 5-dimensional stellar grids

    Directory of Open Access Journals (Sweden)

    Serenelli Aldo

    2017-01-01

    Full Text Available We present preliminary results of our grid based modelling (GBM of the dwarf/subgiant sample of stars observed with Kepler including global asteroseismic parameters. GBM analysis in this work is based on a large grid of stellar models that is characterized by five independent parameters: model mass and age, initial metallicity (Zini, initial helium (Yini, and mixing length parameter (αMLT. Using this grid relaxes assumptions used in all previous GBM work where the initial composition is determined by a single parameter and that αMLT is fixed to a solar-calibrated value. The new grid allows us to study, for example, the impact of different galactic chemical enrichment models on the determination of stellar parameters such as mass radius and age. Also, it allows to include new results from stellar atmosphere models on αMLT in the GBM analysis in a simple manner. Alternatively, it can be tested if global asteroseismology is a useful tool to constraint our ignorance on quantities such as Yini and αMLT. Initial findings show that mass determination is robust with respect to freedom in the latter quantities, with a 4.4% maximum deviation for extreme assumptions regarding prior information on Yini – Zini relations and aMLT. On the other hand, tests carried out so far seem to indicate that global seismology does not have much power to constrain Yini – Zni relations of αMLT values without resourcing to additional information.

  16. A current sensor based on the giant magnetoresistance effect: design and potential smart grid applications.

    Science.gov (United States)

    Ouyang, Yong; He, Jinliang; Hu, Jun; Wang, Shan X

    2012-11-09

    Advanced sensing and measurement techniques are key technologies to realize a smart grid. The giant magnetoresistance (GMR) effect has revolutionized the fields of data storage and magnetic measurement. In this work, a design of a GMR current sensor based on a commercial analog GMR chip for applications in a smart grid is presented and discussed. Static, dynamic and thermal properties of the sensor were characterized. The characterizations showed that in the operation range from 0 to ±5 A, the sensor had a sensitivity of 28 mV·A(-1), linearity of 99.97%, maximum deviation of 2.717%, frequency response of −1.5 dB at 10 kHz current measurement, and maximum change of the amplitude response of 0.0335%·°C(-1) with thermal compensation. In the distributed real-time measurement and monitoring of a smart grid system, the GMR current sensor shows excellent performance and is cost effective, making it suitable for applications such as steady-state and transient-state monitoring. With the advantages of having a high sensitivity, high linearity, small volume, low cost, and simple structure, the GMR current sensor is promising for the measurement and monitoring of smart grids.

  17. Large-acceptance-angle gridded analyzers in an axial magnetic field

    International Nuclear Information System (INIS)

    Molvik, A.W.

    1981-01-01

    Electrostatic retarding-potential gridded analyzers have been used to measure the current and the axial energy distributions of ions escaping along magnetic field lines in the 2XIIB magnetic mirror fusion experiment at Lawerence Livermore National Laboratory (LLNL). Three analyzers are discussed: a large scanning analyzer with a movable entrance aperture that can measure ion or electron losses from a different segment of the plasma diameter on each shot, a smaller analyzer that mounts in 5-cm-diam ports, and a multicollector analyzer that can continuously measure losses from the entire plasma diameter

  18. Disturbance estimator based predictive current control of grid-connected inverters

    OpenAIRE

    Al-Khafaji, Ahmed Samawi Ghthwan

    2013-01-01

    ABSTRACT: The work presented in my thesis considers one of the modern discrete-time control approaches based on digital signal processing methods, that have been developed to improve the performance control of grid-connected three-phase inverters. Disturbance estimator based predictive current control of grid-connected inverters is proposed. For inverter modeling with respect to the design of current controllers, we choose the d-q synchronous reference frame to make it easier to understand an...

  19. Improved Parameters for the Martini Coarse-Grained Protein Force Field

    NARCIS (Netherlands)

    de Jong, Djurre H.; Singh, Gurpreet; Bennett, W. F. Drew; Arnarez, Clement; Wassenaar, Tsjerk A.; Schafer, Lars V.; Periole, Xavier; Tieleman, D. Peter; Marrink, Siewert J.

    The Martini coarse-grained force field has been successfully used for simulating a wide range of (bio)molecular systems. Recent progress in our ability to test the model against fully atomistic force fields, however, has revealed some shortcomings. Most notable, phenylalanine and proline were too

  20. Grid-cell-based crop water accounting for the famine early warning system

    Science.gov (United States)

    Verdin, James; Klaver, Robert

    2002-06-01

    Rainfall monitoring is a regular activity of food security analysts for sub-Saharan Africa due to the potentially disastrous impact of drought. Crop water accounting schemes are used to track rainfall timing and amounts relative to phenological requirements, to infer water limitation impacts on yield. Unfortunately, many rain gauge reports are available only after significant delays, and the gauge locations leave large gaps in coverage. As an alternative, a grid-cell-based formulation for the water requirement satisfaction index (WRSI) was tested for maize in Southern Africa. Grids of input variables were obtained from remote sensing estimates of rainfall, meteorological models, and digital soil maps. The spatial WRSI was computed for the 1996-97 and 1997-98 growing seasons. Maize yields were estimated by regression and compared with a limited number of reports from the field for the 1996-97 season in Zimbabwe. Agreement at a useful level (r = 0·80) was observed. This is comparable to results from traditional analysis with station data. The findings demonstrate the complementary role that remote sensing, modelling, and geospatial analysis can play in an era when field data collection in sub-Saharan Africa is suffering an unfortunate decline. Published in 2002 by John Wiley & Sons, Ltd.

  1. Energy of Force-Free Magnetic Fields in Relation to Coronal Mass Ejections; TOPICAL

    International Nuclear Information System (INIS)

    G.S. Choe; C.Z. Cheng

    2002-01-01

    In typical observations of coronal mass ejections (CMEs), a magnetic structure of a helmet-shaped closed configuration bulges out and eventually opens up. However, a spontaneous transition between these field configurations has been regarded to be energetically impossible in force-free fields according to the Aly-Sturrock theorem. The theorem states that the maximum energy state of force-free fields with a given boundary normal field distribution is the open field. The theorem implicitly assumes the existence of the maximum energy state, which may not be taken for granted. In this study, we have constructed force-free fields containing tangential discontinuities in multiple flux systems. These force-free fields can be generated from a potential field by footpoint motions that do not conserve the boundary normal field distribution. Some of these force-free fields are found to have more magnetic energy than the corresponding open fields. The constructed force-free configurations are compared with observational features of CME-bearing active regions. Possible mechanisms of CMEs are also discussed

  2. Ponderomotive force, magnetic fields and hydrodynamics of laser produced plasmas

    International Nuclear Information System (INIS)

    Bobin, J.-L.; Wee Woo; Degroot, J.-S.

    1977-01-01

    Nonlinear effects deeply change the structure of a laser driven plasma flow. For high intensities, the radiation pressure should be taken into account. It acts through a ponderomotive force proportional to the electron density and to the gradient of the mean electric field energy density of the incident wave. Static magnetic fields originate from a term in the ponderomotive force which includes radiation absorption and whose curl is non zero. The basic properties of the structure are determined analytically in the absence of thermal conductivity and magnetic fields: steep density gradient close to the cut-off density, shelf at lower densities. The conditions of a steady state regime are set up. The isothermal case is specially investigated. It is shown that the cavities which are created in a motionless plasma may disappear due to the onset of a flow. Regions in which electromagnetic forces arising from the static field compensate the ponderomotive force are determined. The subsequent effects on the flow itself are studied [fr

  3. Energy buildup in sheared force-free magnetic fields

    Science.gov (United States)

    Wolfson, Richard; Low, Boon C.

    1992-01-01

    Photospheric displacement of the footpoints of solar magnetic field lines results in shearing and twisting of the field, and consequently in the buildup of electric currents and magnetic free energy in the corona. The sudden release of this free energy may be the origin of eruptive events like coronal mass ejections, prominence eruptions, and flares. An important question is whether such an energy release may be accompanied by the opening of magnetic field lines that were previously closed, for such open field lines can provide a route for matter frozen into the field to escape the sun altogether. This paper presents the results of numerical calculations showing that opening of the magnetic field is permitted energetically, in that it is possible to build up more free energy in a sheared, closed, force-free magnetic field than is in a related magnetic configuration having both closed and open field lines. Whether or not the closed force-free field attains enough energy to become partially open depends on the form of the shear profile; the results presented compare the energy buildup for different shear profiles. Implications for solar activity are discussed briefly.

  4. Differences between downscaling with spectral and grid nudging using WRF

    Directory of Open Access Journals (Sweden)

    P. Liu

    2012-04-01

    Full Text Available Dynamical downscaling has been extensively used to study regional climate forced by large-scale global climate models. During the downscaling process, however, the simulation of regional climate models (RCMs tends to drift away from the driving fields. Developing a solution that addresses this issue, by retaining the large scale features (from the large-scale fields and the small-scale features (from the RCMs has led to the development of "nudging" techniques. Here, we examine the performance of two nudging techniques, grid and spectral nudging, in the downscaling of NCEP/NCAR data with the Weather Research and Forecasting (WRF Model. The simulations are compared against the results with North America Regional Reanalysis (NARR data set at different scales of interest using the concept of similarity. We show that with the appropriate choice of wave numbers, spectral nudging outperforms grid nudging in the capacity of balancing the performance of simulation at the large and small scales.

  5. Adaptive grid generation in a patient-specific cerebral aneurysm

    Science.gov (United States)

    Hodis, Simona; Kallmes, David F.; Dragomir-Daescu, Dan

    2013-11-01

    Adapting grid density to flow behavior provides the advantage of increasing solution accuracy while decreasing the number of grid elements in the simulation domain, therefore reducing the computational time. One method for grid adaptation requires successive refinement of grid density based on observed solution behavior until the numerical errors between successive grids are negligible. However, such an approach is time consuming and it is often neglected by the researchers. We present a technique to calculate the grid size distribution of an adaptive grid for computational fluid dynamics (CFD) simulations in a complex cerebral aneurysm geometry based on the kinematic curvature and torsion calculated from the velocity field. The relationship between the kinematic characteristics of the flow and the element size of the adaptive grid leads to a mathematical equation to calculate the grid size in different regions of the flow. The adaptive grid density is obtained such that it captures the more complex details of the flow with locally smaller grid size, while less complex flow characteristics are calculated on locally larger grid size. The current study shows that kinematic curvature and torsion calculated from the velocity field in a cerebral aneurysm can be used to find the locations of complex flow where the computational grid needs to be refined in order to obtain an accurate solution. We found that the complexity of the flow can be adequately described by velocity and vorticity and the angle between the two vectors. For example, inside the aneurysm bleb, at the bifurcation, and at the major arterial turns the element size in the lumen needs to be less than 10% of the artery radius, while at the boundary layer, the element size should be smaller than 1% of the artery radius, for accurate results within a 0.5% relative approximation error. This technique of quantifying flow complexity and adaptive remeshing has the potential to improve results accuracy and reduce

  6. Grid-friendly wind power systems based on the synchronverter technology

    International Nuclear Information System (INIS)

    Zhong, Qing-Chang; Ma, Zhenyu; Ming, Wen-Long; Konstantopoulos, George C.

    2015-01-01

    Highlights: • A grid-friendly wind power system that uses the synchronverter technology is proposed. • Both the rotor-side and the grid-side converters act as synchronverters. • The complete generator–motor–generator system improves the performance under grid faults. • Real-time digital simulation results verify the effectiveness of the proposed method. - Abstract: Back-to-back PWM converters are becoming a realistic alternative to conventional converters in high-power wind power applications. In this paper, a control strategy based on the synchronverter technology is proposed for back-to-back PWM converters. Both converters are run as synchronverters, which are mathematically equivalent to the conventional synchronous generators. The rotor-side converter is responsible for maintaining the DC link voltage and the grid-side converter is responsible for the maximum power point tracking (MPPT). As the two converters are operated using the synchronverter technology, the formed wind power system becomes more friendly to the grid. Extensive real-time digital simulation results are presented to verify the effectiveness of the proposed method under normal operation and grid-fault scenarios

  7. Homogeneity and EPR metrics for assessment of regular grids used in CW EPR powder simulations.

    Science.gov (United States)

    Crăciun, Cora

    2014-08-01

    CW EPR powder spectra may be approximated numerically using a spherical grid and a Voronoi tessellation-based cubature. For a given spin system, the quality of simulated EPR spectra depends on the grid type, size, and orientation in the molecular frame. In previous work, the grids used in CW EPR powder simulations have been compared mainly from geometric perspective. However, some grids with similar homogeneity degree generate different quality simulated spectra. This paper evaluates the grids from EPR perspective, by defining two metrics depending on the spin system characteristics and the grid Voronoi tessellation. The first metric determines if the grid points are EPR-centred in their Voronoi cells, based on the resonance magnetic field variations inside these cells. The second metric verifies if the adjacent Voronoi cells of the tessellation are EPR-overlapping, by computing the common range of their resonance magnetic field intervals. Beside a series of well known regular grids, the paper investigates a modified ZCW grid and a Fibonacci spherical code, which are new in the context of EPR simulations. For the investigated grids, the EPR metrics bring more information than the homogeneity quantities and are better related to the grids' EPR behaviour, for different spin system symmetries. The metrics' efficiency and limits are finally verified for grids generated from the initial ones, by using the original or magnetic field-constraint variants of the Spherical Centroidal Voronoi Tessellation method. Copyright © 2014 Elsevier Inc. All rights reserved.

  8. Numerical simulation of bubble motion about a grid spacer in a rod bundle

    International Nuclear Information System (INIS)

    Zhang, Zheng; Hosokawa, Shigeo; Hayashi, Kosuke; Tomiyama, Akio

    2009-01-01

    Numerical simulations based on a three-dimensional two-way bubble tracking method are carried out to predict bubble motions in a square duct with an obstacle and in a two-by-three rod bundle with a grid spacer. Comparisons between measured and predicted bubble motions demonstrate that the two-way bubble tracking method gives good predictions for trajectories of small bubbles in the upstream side of the grid spacer in the rod bundle geometry. The predicted bubble trajectories clearly show that bubbles are apt to migrate toward the rod surface in the vicinity of the bottom of the grid spacer. Analysis of forces acting on the bubbles confirms that pressure gradient force induced by the presence of the spacer is the main cause of the bubble lateral migration toward the rod surface. Motions of steam bubbles at a nominal operating condition of a pressurized water reactor (PWR) are also predicted by using the bubble tracking method, which indicates that steam bubbles also migrate toward the rod surface at the upstream side of the spacer due to the spacer-induced pressure gradient force. (author)

  9. The extended RBAC model based on grid computing

    Institute of Scientific and Technical Information of China (English)

    CHEN Jian-gang; WANG Ru-chuan; WANG Hai-yan

    2006-01-01

    This article proposes the extended role-based access control (RBAC) model for solving dynamic and multidomain problems in grid computing, The formulated description of the model has been provided. The introduction of context and the mapping relations of context-to-role and context-to-permission help the model adapt to dynamic property in grid environment.The multidomain role inheritance relation by the authorization agent service realizes the multidomain authorization amongst the autonomy domain. A function has been proposed for solving the role inheritance conflict during the establishment of the multidomain role inheritance relation.

  10. Smart Energy Management and Control for Fuel Cell Based Micro-Grid Connected Neighborhoods

    Energy Technology Data Exchange (ETDEWEB)

    Dr. Mohammad S. Alam

    2006-03-15

    Fuel cell power generation promises to be an efficient, pollution-free, reliable power source in both large scale and small scale, remote applications. DOE formed the Solid State Energy Conversion Alliance with the intention of breaking one of the last barriers remaining for cost effective fuel cell power generation. The Alliance’s goal is to produce a core solid-state fuel cell module at a cost of no more than $400 per kilowatt and ready for commercial application by 2010. With their inherently high, 60-70% conversion efficiencies, significantly reduced carbon dioxide emissions, and negligible emissions of other pollutants, fuel cells will be the obvious choice for a broad variety of commercial and residential applications when their cost effectiveness is improved. In a research program funded by the Department of Energy, the research team has been investigating smart fuel cell-operated residential micro-grid communities. This research has focused on using smart control systems in conjunction with fuel cell power plants, with the goal to reduce energy consumption, reduce demand peaks and still meet the energy requirements of any household in a micro-grid community environment. In Phases I and II, a SEMaC was developed and extended to a micro-grid community. In addition, an optimal configuration was determined for a single fuel cell power plant supplying power to a ten-home micro-grid community. In Phase III, the plan is to expand this work to fuel cell based micro-grid connected neighborhoods (mini-grid). The economic implications of hydrogen cogeneration will be investigated. These efforts are consistent with DOE’s mission to decentralize domestic electric power generation and to accelerate the onset of the hydrogen economy. A major challenge facing the routine implementation and use of a fuel cell based mini-grid is the varying electrical demand of the individual micro-grids, and, therefore, analyzing these issues is vital. Efforts are needed to determine

  11. SQoS based Planning using 4-regular Grid for Optical Fiber Metworks

    DEFF Research Database (Denmark)

    Riaz, Muhammad Tahir; Pedersen, Jens Myrup; Madsen, Ole Brun

    optical fiber based network infrastructures. In the first step of SQoS based planning, this paper describes how 4-regular Grid structures can be implemented in the physical level of optical fiber network infrastructures. A systematic approach for implementing the Grid structure is presented. We used...

  12. SQoS based Planning using 4-regular Grid for Optical Fiber Networks

    DEFF Research Database (Denmark)

    Riaz, Muhammad Tahir; Pedersen, Jens Myrup; Madsen, Ole Brun

    2005-01-01

    optical fiber based network infrastructures. In the first step of SQoS based planning, this paper describes how 4-regular Grid structures can be implemented in the physical level of optical fiber network infrastructures. A systematic approach for implementing the Grid structure is presented. We used...

  13. Optical Near-field Interactions and Forces for Optoelectronic Devices

    Science.gov (United States)

    Kohoutek, John Michael

    Throughout history, as a particle view of the universe began to take shape, scientists began to realize that these particles were attracted to each other and hence came up with theories, both analytical and empirical in nature, to explain their interaction. The interaction pair potential (empirical) and electromagnetics (analytical) theories, both help to explain not only the interaction between the basic constituents of matter, such as atoms and molecules, but also between macroscopic objects, such as two surfaces in close proximity. The electrostatic force, optical force, and Casimir force can be categorized as such forces. A surface plasmon (SP) is a collective motion of electrons generated by light at the interface between two mediums of opposite signs of dielectric susceptibility (e.g. metal and dielectric). Recently, surface plasmon resonance (SPR) has been exploited in many areas through the use of tiny antennas that work on similar principles as radio frequency (RF) antennas in optoelectronic devices. These antennas can produce a very high gradient in the electric field thereby leading to an optical force, similar in concept to the surface forces discussed above. The Atomic Force Microscope (AFM) was introduced in the 1980s at IBM. Here we report on its uses in measuring these aforementioned forces and fields, as well as actively modulating and manipulating multiple optoelectronic devices. We have shown that it is possible to change the far field radiation pattern of an optical antenna-integrated device through modification of the near-field of the device. This modification is possible through change of the local refractive index or reflectivity of the "hot spot" of the device, either mechanically or optically. Finally, we have shown how a mechanically active device can be used to detect light with high gain and low noise at room temperature. It is the aim of several of these integrated and future devices to be used for applications in molecular sensing

  14. Efficient identification of opportunities for Distributed Generation based on Smart Grid Technology

    DEFF Research Database (Denmark)

    Mutule, Anna; Obushevs, Artjoms; Lvov, Aleksandr

    2013-01-01

    The paper presents the main goals and achievements of the Smart Grids ERA-NET project named “Efficient identification of opportunities for Distributed Generation based on Smart Grid Technology (SmartGen)” during the second stage of project implementation. A description of Smart Grid Technology (S......) models developed within the framework of the project is given. The performed study cases where the SGT-models were implemented to analyze the impact of the electrical grid are discussed....

  15. Machine learning of accurate energy-conserving molecular force fields

    Science.gov (United States)

    Chmiela, Stefan; Tkatchenko, Alexandre; Sauceda, Huziel E.; Poltavsky, Igor; Schütt, Kristof T.; Müller, Klaus-Robert

    2017-01-01

    Using conservation of energy—a fundamental property of closed classical and quantum mechanical systems—we develop an efficient gradient-domain machine learning (GDML) approach to construct accurate molecular force fields using a restricted number of samples from ab initio molecular dynamics (AIMD) trajectories. The GDML implementation is able to reproduce global potential energy surfaces of intermediate-sized molecules with an accuracy of 0.3 kcal mol−1 for energies and 1 kcal mol−1 Å̊−1 for atomic forces using only 1000 conformational geometries for training. We demonstrate this accuracy for AIMD trajectories of molecules, including benzene, toluene, naphthalene, ethanol, uracil, and aspirin. The challenge of constructing conservative force fields is accomplished in our work by learning in a Hilbert space of vector-valued functions that obey the law of energy conservation. The GDML approach enables quantitative molecular dynamics simulations for molecules at a fraction of cost of explicit AIMD calculations, thereby allowing the construction of efficient force fields with the accuracy and transferability of high-level ab initio methods. PMID:28508076

  16. Various aspects of magnetic field influence on forced convection

    Directory of Open Access Journals (Sweden)

    Pleskacz Lukasz

    2016-01-01

    Full Text Available Flows in the channels of various geometry can be found everywhere in industrial or daily life applications. They are used to deliver media to certain locations or they are the place where heat may be exchanged. For Authors both points of view are interesting. The enhancement methods for heat transfer during the forced convection are demanded due to a technological development and tendency to miniaturization. At the same time it is also worth to find mechanisms that would help to avoid negative effects like pressure losses or sedimentation in the channel flows. This paper shows and discuss various aspects of magnetic field influence on forced convection. A mathematical model consisted of the mass, momentum and energy conservation equations. In the momentum conservation equation magnetic force term was included. In order to calculate this magnetic force Biot-Savart’s law was utilized. Numerical analysis was performed with the usage of commonly applied software. However, userdefined functions were implemented. The results revealed that both temperature and velocity fields were influenced by the strong magnetic field.

  17. Automation of the CHARMM General Force Field (CGenFF) I: bond perception and atom typing.

    Science.gov (United States)

    Vanommeslaeghe, K; MacKerell, A D

    2012-12-21

    Molecular mechanics force fields are widely used in computer-aided drug design for the study of drug-like molecules alone or interacting with biological systems. In simulations involving biological macromolecules, the biological part is typically represented by a specialized biomolecular force field, while the drug is represented by a matching general (organic) force field. In order to apply these general force fields to an arbitrary drug-like molecule, functionality for assignment of atom types, parameters, and charges is required. In the present article, which is part I of a series of two, we present the algorithms for bond perception and atom typing for the CHARMM General Force Field (CGenFF). The CGenFF atom typer first associates attributes to the atoms and bonds in a molecule, such as valence, bond order, and ring membership among others. Of note are a number of features that are specifically required for CGenFF. This information is then used by the atom typing routine to assign CGenFF atom types based on a programmable decision tree. This allows for straightforward implementation of CGenFF's complicated atom typing rules and for equally straightforward updating of the atom typing scheme as the force field grows. The presented atom typer was validated by assigning correct atom types on 477 model compounds including in the training set as well as 126 test-set molecules that were constructed to specifically verify its different components. The program may be utilized via an online implementation at https://www.paramchem.org/ .

  18. Leveraging intellectual capital through Lewin's Force Field Analysis: The case of software development companies

    Directory of Open Access Journals (Sweden)

    Alexandru Capatina

    2017-09-01

    Full Text Available This article presents an original conceptual framework for the strategic management of intellectual capital assets in software development companies. The framework is based on Lewin's Force Field Analysis. The framework makes it possible to assess software company managers’ opinions regarding the way driving and restraining forces affect the pillars of intellectual capital. The capacity to adapt to change is vital for companies in knowledge-intensive industries. Accordingly, this study examined a sample of 74 Romanian software development companies. The aim was to help companies benefit from managing the driving and restraining forces acting upon the pillars of intellectual capital (human, structural, and relational. The effects of the driving forces, quantified by PathMaker software's Force Field Tool, were observed to be greater than the restraining forces for each pillar of intellectual capital. This paper contributes by showing the explanatory power of this framework. The framework thus offers a tool that helps managers drive change in their organizations through effective intellectual capital management. Furthermore, this article describes how to encourage the implementation of changes that create value for software development companies.

  19. Analysis of PM Magnetization Field Effects on the Unbalanced Magnetic Forces due to Rotor Eccentricity in BLDC Motors

    Directory of Open Access Journals (Sweden)

    S. Mahdiuon-Rad

    2013-08-01

    Full Text Available This paper investigates both static and dynamic eccentricities in single phase brushless DC (BLDC motors and analyzes the effect of the PM magnetization field on unbalanced magnetic forces acting on the rotor. Three common types of PM magnetization field patterns including radial, parallel and sinusoidal magnetizations are considered. In both static and dynamic eccentricities, harmonic components of the unbalanced magnetic forces on the rotor are extracted and analyzed. Based on simulation results, the magnetization fields that produce the lowest and highest unbalanced magnetic forces are determined in rotor eccentricity conditions.

  20. A methodology toward manufacturing grid-based virtual enterprise operation platform

    Science.gov (United States)

    Tan, Wenan; Xu, Yicheng; Xu, Wei; Xu, Lida; Zhao, Xianhua; Wang, Li; Fu, Liuliu

    2010-08-01

    Virtual enterprises (VEs) have become one of main types of organisations in the manufacturing sector through which the consortium companies organise their manufacturing activities. To be competitive, a VE relies on the complementary core competences among members through resource sharing and agile manufacturing capacity. Manufacturing grid (M-Grid) is a platform in which the production resources can be shared. In this article, an M-Grid-based VE operation platform (MGVEOP) is presented as it enables the sharing of production resources among geographically distributed enterprises. The performance management system of the MGVEOP is based on the balanced scorecard and has the capacity of self-learning. The study shows that a MGVEOP can make a semi-automated process possible for a VE, and the proposed MGVEOP is efficient and agile.

  1. An isometric muscle force estimation framework based on a high-density surface EMG array and an NMF algorithm

    Science.gov (United States)

    Huang, Chengjun; Chen, Xiang; Cao, Shuai; Qiu, Bensheng; Zhang, Xu

    2017-08-01

    Objective. To realize accurate muscle force estimation, a novel framework is proposed in this paper which can extract the input of the prediction model from the appropriate activation area of the skeletal muscle. Approach. Surface electromyographic (sEMG) signals from the biceps brachii muscle during isometric elbow flexion were collected with a high-density (HD) electrode grid (128 channels) and the external force at three contraction levels was measured at the wrist synchronously. The sEMG envelope matrix was factorized into a matrix of basis vectors with each column representing an activation pattern and a matrix of time-varying coefficients by a nonnegative matrix factorization (NMF) algorithm. The activation pattern with the highest activation intensity, which was defined as the sum of the absolute values of the time-varying coefficient curve, was considered as the major activation pattern, and its channels with high weighting factors were selected to extract the input activation signal of a force estimation model based on the polynomial fitting technique. Main results. Compared with conventional methods using the whole channels of the grid, the proposed method could significantly improve the quality of force estimation and reduce the electrode number. Significance. The proposed method provides a way to find proper electrode placement for force estimation, which can be further employed in muscle heterogeneity analysis, myoelectric prostheses and the control of exoskeleton devices.

  2. Deploying web-based visual exploration tools on the grid

    Energy Technology Data Exchange (ETDEWEB)

    Jankun-Kelly, T.J.; Kreylos, Oliver; Shalf, John; Ma, Kwan-Liu; Hamann, Bernd; Joy, Kenneth; Bethel, E. Wes

    2002-02-01

    We discuss a web-based portal for the exploration, encapsulation, and dissemination of visualization results over the Grid. This portal integrates three components: an interface client for structured visualization exploration, a visualization web application to manage the generation and capture of the visualization results, and a centralized portal application server to access and manage grid resources. We demonstrate the usefulness of the developed system using an example for Adaptive Mesh Refinement (AMR) data visualization.

  3. OPNET/Simulink Based Testbed for Disturbance Detection in the Smart Grid

    Energy Technology Data Exchange (ETDEWEB)

    Sadi, Mohammad A. H. [University of Memphis; Dasgupta, Dipankar [ORNL; Ali, Mohammad Hassan [University of Memphis; Abercrombie, Robert K [ORNL

    2015-01-01

    The important backbone of the smart grid is the cyber/information infrastructure, which is primarily used to communicate with different grid components. A smart grid is a complex cyber physical system containing a numerous and variety number of sources, devices, controllers and loads. Therefore, the smart grid is vulnerable to grid related disturbances. For such dynamic system, disturbance and intrusion detection is a paramount issue. This paper presents a Simulink and Opnet based co-simulated platform to carry out a cyber-intrusion in cyber network for modern power systems and the smart grid. The IEEE 30 bus power system model is used to demonstrate the effectiveness of the simulated testbed. The experiments were performed by disturbing the circuit breakers reclosing time through a cyber-attack. Different disturbance situations in the considered test system are considered and the results indicate the effectiveness of the proposed co-simulated scheme.

  4. Mini-Grids for the Base of the Pyramid Market: A Critical Review

    Directory of Open Access Journals (Sweden)

    Subhes C. Bhattacharyya

    2018-04-01

    Full Text Available The lack of access to electricity of more than 1.1 billion people around the world remains a major developmental challenge and Goal 7 of the Sustainable Development Goals (SDG as well as Sustainable Energy for All (SE4ALL have set a target of universal electrification by 2030. Various studies have identified mini-grid-based electrification as a possible solution. There is a growing body of literature available now that has explored the feasibility, practical application and policy interventions required to support mini-grids. Through a review of available literature, this paper explores whether mini-grids can be a solution for the base of the pyramid (BoP market and the challenges faced in deploying mini-grids in such markets. Interventions to support the mini-grid deployment are also discussed. The paper finds that the mini-grids are targeting the BoP market but the business is not attractive in profitability terms and requires financial support. Lack of regulatory clarity and non-coordinated policies affect the financial viability of projects, which requires careful support. Mini-grid electrification has hardly been embedded in rural development agenda and hence they have not contributed significantly to livelihood generation. Careful realignment of policies, regulatory frameworks and support systems can better support mini-grid deployment in developing countries.

  5. A Structured Grid Based Solution-Adaptive Technique for Complex Separated Flows

    Science.gov (United States)

    Thornburg, Hugh; Soni, Bharat K.; Kishore, Boyalakuntla; Yu, Robert

    1996-01-01

    The objective of this work was to enhance the predictive capability of widely used computational fluid dynamic (CFD) codes through the use of solution adaptive gridding. Most problems of engineering interest involve multi-block grids and widely disparate length scales. Hence, it is desirable that the adaptive grid feature detection algorithm be developed to recognize flow structures of different type as well as differing intensity, and adequately address scaling and normalization across blocks. In order to study the accuracy and efficiency improvements due to the grid adaptation, it is necessary to quantify grid size and distribution requirements as well as computational times of non-adapted solutions. Flow fields about launch vehicles of practical interest often involve supersonic freestream conditions at angle of attack exhibiting large scale separate vortical flow, vortex-vortex and vortex-surface interactions, separated shear layers and multiple shocks of different intensity. In this work, a weight function and an associated mesh redistribution procedure is presented which detects and resolves these features without user intervention. Particular emphasis has been placed upon accurate resolution of expansion regions and boundary layers. Flow past a wedge at Mach=2.0 is used to illustrate the enhanced detection capabilities of this newly developed weight function.

  6. Homogeneity and EPR metrics for assessment of regular grids used in CW EPR powder simulations

    Science.gov (United States)

    Crăciun, Cora

    2014-08-01

    CW EPR powder spectra may be approximated numerically using a spherical grid and a Voronoi tessellation-based cubature. For a given spin system, the quality of simulated EPR spectra depends on the grid type, size, and orientation in the molecular frame. In previous work, the grids used in CW EPR powder simulations have been compared mainly from geometric perspective. However, some grids with similar homogeneity degree generate different quality simulated spectra. This paper evaluates the grids from EPR perspective, by defining two metrics depending on the spin system characteristics and the grid Voronoi tessellation. The first metric determines if the grid points are EPR-centred in their Voronoi cells, based on the resonance magnetic field variations inside these cells. The second metric verifies if the adjacent Voronoi cells of the tessellation are EPR-overlapping, by computing the common range of their resonance magnetic field intervals. Beside a series of well known regular grids, the paper investigates a modified ZCW grid and a Fibonacci spherical code, which are new in the context of EPR simulations. For the investigated grids, the EPR metrics bring more information than the homogeneity quantities and are better related to the grids’ EPR behaviour, for different spin system symmetries. The metrics’ efficiency and limits are finally verified for grids generated from the initial ones, by using the original or magnetic field-constraint variants of the Spherical Centroidal Voronoi Tessellation method.

  7. Valence force fields and the lattice dynamics of beryllium oxide

    International Nuclear Information System (INIS)

    Ramani, R.; Mani, K.K.; Singh, R.P.

    1976-01-01

    The lattice dynamics of beryllium oxide have been studied using a rigid-ion model, with short-range forces represented by a valence force field. Various existing calculations on group-IV elements using such a field have been examined as a prelude to transference of force constants from diamond to beryllium oxide. The effects of ionicity on the force constants have been included in the form of scale factors. It is shown that no satisfactory fit to the long-wavelength data on BeO can be found with transferred force constants. However, adequate least-squares fits can be found both with four- and six-parameter valence force fields, the discrepancy with experiment being large only for one optical mode at the Brillouin-zone center. Dispersion curves along Δ and Σ are presented and are in fair agreement with experiment, deviations arising essentially from the quality of the fit to the long-wavelength data. The bond-bending interactions are found to play a significant role and arguments have been presented to show that the inclusion of further angle-angle interactions would yield a very satisfactory picture of the dynamics

  8. Nonequilibrium forces between neutral atoms mediated by a quantum field

    International Nuclear Information System (INIS)

    Behunin, Ryan O.; Hu, Bei-Lok

    2010-01-01

    We study forces between two neutral atoms, modeled as three-dimensional harmonic oscillators, arising from mutual influences mediated by an electromagnetic field but not from their direct interactions. We allow as dynamical variables the center-of-mass motion of the atom, its internal degrees of freedom, and the quantum field treated relativistically. We adopt the method of nonequilibrium quantum field theory which can provide a first-principles, systematic, and unified description including the intrinsic and induced dipole fluctuations. The inclusion of self-consistent back-actions makes possible a fully dynamical description of these forces valid for general atom motion. In thermal equilibrium we recover the known forces--London, van der Waals, and Casimir-Polder--between neutral atoms in the long-time limit. We also reproduce a recently reported force between atoms when the system is out of thermal equilibrium at late times. More noteworthy is the discovery of the existence of a type of (or identification of the source of some known) interatomic force which we call the ''entanglement force,'' originating from the quantum correlations of the internal degrees of freedom of entangled atoms.

  9. Low carbon mini grids 'Identifying the gaps; building the evidence base', Support Study for DFID - Final Report

    International Nuclear Information System (INIS)

    2013-11-01

    This report represents the final report on the support study on 'Identifying the gaps and building the evidence base on low carbon mini-grids'. The review forms part of a preliminary initiative of DFID to promote Green Mini-Grids (GMG) in Africa under the International Climate Fund (ICF) with the objective of providing guidance and recommendations for DFID intervention and program implementation. The support study started in November 2012 and ended in September 2013. The report is based on activities which have included kick-off meetings, development of the methodological framework, literature and web review of documents relevant to the state-of-the-art practices for mini-grids, collation of relevant international experience, and a field visit in 2 targeted African countries (Kenya and Mozambique) to conduct interviews with key stakeholders and to collect field data. The report is structured in 8 chapters as per the requirements of the TOR, with a 'Highlights' section: 1- International Review of Mini-Grids and Data Collection, overview of the technologies, and of implementation schemes. The reality of the target countries is that while there are a number of diesel based mini-grids run either by private operators with low service and high cost, outside any regulated framework, and some run through various forms of Public Private Partnerships, there are extremely few Green Mini-Grids. Some Renewable Energy Power Generation operations are found to be for self-consumption or feeding into the grid, but very seldom for powering a Mini-Grid isolated from the interconnected network. 2 - Relevance of Mini-Grid Solutions, proposes an approach to help the planner identify whether in a given country/region, Mini-Grids - and further Green Mini-Grids are a viable option for access to electricity services. These mini-grid areas are those which will remain out reach of the interconnected grid for a few years to come, and yet where there is sufficient load density to ensure the

  10. Induced Polarization Influences the Fundamental Forces in DNA Base Flipping

    OpenAIRE

    Lemkul, Justin A.; Savelyev, Alexey; MacKerell, Alexander D.

    2014-01-01

    Base flipping in DNA is an important process involved in genomic repair and epigenetic control of gene expression. The driving forces for these processes are not fully understood, especially in the context of the underlying dynamics of the DNA and solvent effects. We studied double-stranded DNA oligomers that have been previously characterized by imino proton exchange NMR using both additive and polarizable force fields. Our results highlight the importance of induced polarization on the base...

  11. Design and Development of Fire Gridding Platform Based on Internet of Things

    Directory of Open Access Journals (Sweden)

    Wei San-Xi

    2016-01-01

    Full Text Available This article describes the construction background about fire gridding platform, reviews the research and progress in fire Internet of Things and fire gridding. The platform includes perception / execution layer, field control layer, network layer, center platform layer and application layer, which provide a good bonding about site control and remote monitoring. This article supplies a detail design for the main functions of application and task flow of fire hazard investigation. At the same time, a digital management platform was developed.

  12. Vortex network community based reduced-order force model

    Science.gov (United States)

    Gopalakrishnan Meena, Muralikrishnan; Nair, Aditya; Taira, Kunihiko

    2017-11-01

    We characterize the vortical wake interactions by utilizing network theory and cluster-based approaches, and develop a data-inspired unsteady force model. In the present work, the vortical interaction network is defined by nodes representing vortical elements and the edges quantified by induced velocity measures amongst the vortices. The full vorticity field is reduced to a finite number of vortical clusters based on network community detection algorithm, which serves as a basis for a skeleton network that captures the essence of the wake dynamics. We use this reduced representation of the wake to develop a data-inspired reduced-order force model that can predict unsteady fluid forces on the body. The overall formulation is demonstrated for laminar flows around canonical bluff body wake and stalled flow over an airfoil. We also show the robustness of the present network-based model against noisy data, which motivates applications towards turbulent flows and experimental measurements. Supported by the National Science Foundation (Grant 1632003).

  13. Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptides.

    Science.gov (United States)

    Best, Robert B; Hummer, Gerhard

    2009-07-02

    Obtaining the correct balance of secondary structure propensities is a central priority in protein force-field development. Given that current force fields differ significantly in their alpha-helical propensities, a correction to match experimental results would be highly desirable. We have determined simple backbone energy corrections for two force fields to reproduce the fraction of helix measured in short peptides at 300 K. As validation, we show that the optimized force fields produce results in excellent agreement with nuclear magnetic resonance experiments for folded proteins and short peptides not used in the optimization. However, despite the agreement at ambient conditions, the dependence of the helix content on temperature is too weak, a problem shared with other force fields. A fit of the Lifson-Roig helix-coil theory shows that both the enthalpy and entropy of helix formation are too small: the helix extension parameter w agrees well with experiment, but its entropic and enthalpic components are both only about half the respective experimental estimates. Our structural and thermodynamic analyses point toward the physical origins of these shortcomings in current force fields, and suggest ways to address them in future force-field development.

  14. AMP: a science-driven web-based application for the TeraGrid

    Science.gov (United States)

    Woitaszek, M.; Metcalfe, T.; Shorrock, I.

    The Asteroseismic Modeling Portal (AMP) provides a web-based interface for astronomers to run and view simulations that derive the properties of Sun-like stars from observations of their pulsation frequencies. In this paper, we describe the architecture and implementation of AMP, highlighting the lightweight design principles and tools used to produce a functional fully-custom web-based science application in less than a year. Targeted as a TeraGrid science gateway, AMP's architecture and implementation are intended to simplify its orchestration of TeraGrid computational resources. AMP's web-based interface was developed as a traditional standalone database-backed web application using the Python-based Django web development framework, allowing us to leverage the Django framework's capabilities while cleanly separating the user interface development from the grid interface development. We have found this combination of tools flexible and effective for rapid gateway development and deployment.

  15. Physical Limitations of Empirical Field Models: Force Balance and Plasma Pressure

    International Nuclear Information System (INIS)

    Sorin Zaharia; Cheng, C.Z.

    2002-01-01

    In this paper, we study whether the magnetic field of the T96 empirical model can be in force balance with an isotropic plasma pressure distribution. Using the field of T96, we obtain values for the pressure P by solving a Poisson-type equation (gradient) 2 P = (gradient) · (J x B) in the equatorial plane, and 1-D profiles on the Sun-Earth axis by integrating (gradient)P = J x B. We work in a flux coordinate system in which the magnetic field is expressed in terms of Euler potentials. Our results lead to the conclusion that the T96 model field cannot be in equilibrium with an isotropic pressure. We also analyze in detail the computation of Birkeland currents using the Vasyliunas relation and the T96 field, which yields unphysical results, again indicating the lack of force balance in the empirical model. The underlying reason for the force imbalance is likely the fact that the derivatives of the least-square fitted model B are not accurate predictions of the actual magnetospheric field derivatives. Finally, we discuss a possible solution to the problem of lack of force balance in empirical field models

  16. Deployment of a Grid-based Medical Imaging Application

    CERN Document Server

    Amendolia, S R; Frate, C; Gálvez, J; Hassan, W; Hauer, T; Manset, D; McClatchey, R; Odeh, M; Rogulin, D; Solomonides, T; Warren, R

    2005-01-01

    The MammoGrid project has deployed its Service-Oriented Architecture (SOA)-based Grid application in a real environment comprising actual participating hospitals. The resultant setup is currently being exploited to conduct rigorous in-house tests in the first phase before handing over the setup to the actual clinicians to get their feedback. This paper elaborates the deployment details and the experiences acquired during this phase of the project. Finally the strategy regarding migration to an upcoming middleware from EGEE project will be described. This paper concludes by highlighting some of the potential areas of future work.

  17. Single-Phase LLCL-Filter-based Grid-Tied Inverter with Low-Pass Filter Based Capacitor Current Feedback Active damper

    DEFF Research Database (Denmark)

    Liu, Yuan; Wu, Weimin; Li, Yun

    2016-01-01

    The capacitor-current-feedback active damping method is attractive for high-order-filter-based high power grid-tied inverter when the grid impedance varies within a wide range. In order to improve the system control bandwidth and attenuate the high order grid background harmonics by using the quasi....... In this paper, a low pass filter is proposed to be inserted in the capacitor current feedback loop op LLCL-filter based grid-tied inverter together with a digital proportional and differential compensator. The detailed theoretical analysis is given. For verification, simulations on a 2kW/220V/10kHz LLCL...

  18. The GridSite Web/Grid security system

    International Nuclear Information System (INIS)

    McNab, Andrew; Li Yibiao

    2010-01-01

    We present an overview of the current status of the GridSite toolkit, describing the security model for interactive and programmatic uses introduced in the last year. We discuss our experiences of implementing these internal changes and how they and previous rounds of improvements have been prompted by requirements from users and wider security trends in Grids (such as CSRF). Finally, we explain how these have improved the user experience of GridSite-based websites, and wider implications for portals and similar web/grid sites.

  19. Information driving force and its application in agent-based modeling

    Science.gov (United States)

    Chen, Ting-Ting; Zheng, Bo; Li, Yan; Jiang, Xiong-Fei

    2018-04-01

    Exploring the scientific impact of online big-data has attracted much attention of researchers from different fields in recent years. Complex financial systems are typical open systems profoundly influenced by the external information. Based on the large-scale data in the public media and stock markets, we first define an information driving force, and analyze how it affects the complex financial system. The information driving force is observed to be asymmetric in the bull and bear market states. As an application, we then propose an agent-based model driven by the information driving force. Especially, all the key parameters are determined from the empirical analysis rather than from statistical fitting of the simulation results. With our model, both the stationary properties and non-stationary dynamic behaviors are simulated. Considering the mean-field effect of the external information, we also propose a few-body model to simulate the financial market in the laboratory.

  20. Integrated Multi-Scale Data Analytics and Machine Learning for the Distribution Grid and Building-to-Grid Interface

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, Emma M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Hendrix, Val [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Chertkov, Michael [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Deka, Deepjyoti [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-16

    This white paper introduces the application of advanced data analytics to the modernized grid. In particular, we consider the field of machine learning and where it is both useful, and not useful, for the particular field of the distribution grid and buildings interface. While analytics, in general, is a growing field of interest, and often seen as the golden goose in the burgeoning distribution grid industry, its application is often limited by communications infrastructure, or lack of a focused technical application. Overall, the linkage of analytics to purposeful application in the grid space has been limited. In this paper we consider the field of machine learning as a subset of analytical techniques, and discuss its ability and limitations to enable the future distribution grid and the building-to-grid interface. To that end, we also consider the potential for mixing distributed and centralized analytics and the pros and cons of these approaches. Machine learning is a subfield of computer science that studies and constructs algorithms that can learn from data and make predictions and improve forecasts. Incorporation of machine learning in grid monitoring and analysis tools may have the potential to solve data and operational challenges that result from increasing penetration of distributed and behind-the-meter energy resources. There is an exponentially expanding volume of measured data being generated on the distribution grid, which, with appropriate application of analytics, may be transformed into intelligible, actionable information that can be provided to the right actors – such as grid and building operators, at the appropriate time to enhance grid or building resilience, efficiency, and operations against various metrics or goals – such as total carbon reduction or other economic benefit to customers. While some basic analysis into these data streams can provide a wealth of information, computational and human boundaries on performing the analysis

  1. MAGNETOHYDRODYNAMIC MODELING OF SOLAR SYSTEM PROCESSES ON GEODESIC GRIDS

    Energy Technology Data Exchange (ETDEWEB)

    Florinski, V. [Department of Physics, University of Alabama, Huntsville, AL 35899 (United States); Guo, X. [Center for Space Plasma and Aeronomic Research, University of Alabama, Huntsville, AL 35899 (United States); Balsara, D. S.; Meyer, C. [Department of Physics, University of Notre Dame, Notre Dame, IN 46556 (United States)

    2013-04-01

    This report describes a new magnetohydrodynamic numerical model based on a hexagonal spherical geodesic grid. The model is designed to simulate astrophysical flows of partially ionized plasmas around a central compact object, such as a star or a planet with a magnetic field. The geodesic grid, produced by a recursive subdivision of a base platonic solid (an icosahedron), is free from control volume singularities inherent in spherical polar grids. Multiple populations of plasma and neutral particles, coupled via charge-exchange interactions, can be simulated simultaneously with this model. Our numerical scheme uses piecewise linear reconstruction on a surface of a sphere in a local two-dimensional 'Cartesian' frame. The code employs Haarten-Lax-van-Leer-type approximate Riemann solvers and includes facilities to control the divergence of the magnetic field and maintain pressure positivity. Several test solutions are discussed, including a problem of an interaction between the solar wind and the local interstellar medium, and a simulation of Earth's magnetosphere.

  2. MAGNETOHYDRODYNAMIC MODELING OF SOLAR SYSTEM PROCESSES ON GEODESIC GRIDS

    International Nuclear Information System (INIS)

    Florinski, V.; Guo, X.; Balsara, D. S.; Meyer, C.

    2013-01-01

    This report describes a new magnetohydrodynamic numerical model based on a hexagonal spherical geodesic grid. The model is designed to simulate astrophysical flows of partially ionized plasmas around a central compact object, such as a star or a planet with a magnetic field. The geodesic grid, produced by a recursive subdivision of a base platonic solid (an icosahedron), is free from control volume singularities inherent in spherical polar grids. Multiple populations of plasma and neutral particles, coupled via charge-exchange interactions, can be simulated simultaneously with this model. Our numerical scheme uses piecewise linear reconstruction on a surface of a sphere in a local two-dimensional 'Cartesian' frame. The code employs Haarten-Lax-van-Leer-type approximate Riemann solvers and includes facilities to control the divergence of the magnetic field and maintain pressure positivity. Several test solutions are discussed, including a problem of an interaction between the solar wind and the local interstellar medium, and a simulation of Earth's magnetosphere.

  3. Software-Based Challenges of Developing the Future Distribution Grid

    Energy Technology Data Exchange (ETDEWEB)

    Stewart, Emma; Kiliccote, Sila; McParland, Charles

    2014-06-01

    distribution grid modeling, and measured data sources are a key missing element . Modeling tools need to be calibrated based on measured grid data to validate their output in varied conditions such as high renewables penetration and rapidly changing topology. In addition, establishing a standardized data modeling format would enable users to transfer data among tools to take advantage of different analysis features. ?

  4. A Costing Analysis for Decision Making Grid Model in Failure-Based Maintenance

    Directory of Open Access Journals (Sweden)

    Burhanuddin M. A.

    2011-01-01

    Full Text Available Background. In current economic downturn, industries have to set good control on production cost, to maintain their profit margin. Maintenance department as an imperative unit in industries should attain all maintenance data, process information instantaneously, and subsequently transform it into a useful decision. Then act on the alternative to reduce production cost. Decision Making Grid model is used to identify strategies for maintenance decision. However, the model has limitation as it consider two factors only, that is, downtime and frequency of failures. We consider third factor, cost, in this study for failure-based maintenance. The objective of this paper is to introduce the formulae to estimate maintenance cost. Methods. Fish bone analysis conducted with Ishikawa model and Decision Making Grid methods are used in this study to reveal some underlying risk factors that delay failure-based maintenance. The goal of the study is to estimate the risk factor that is, repair cost to fit in the Decision Making Grid model. Decision Making grid model consider two variables, frequency of failure and downtime in the analysis. This paper introduces third variable, repair cost for Decision Making Grid model. This approaches give better result to categorize the machines, reduce cost, and boost the earning for the manufacturing plant. Results. We collected data from one of the food processing factories in Malaysia. From our empirical result, Machine C, Machine D, Machine F, and Machine I must be in the Decision Making Grid model even though their frequency of failures and downtime are less than Machine B and Machine N, based on the costing analysis. The case study and experimental results show that the cost analysis in Decision Making Grid model gives more promising strategies in failure-based maintenance. Conclusions. The improvement of Decision Making Grid model for decision analysis with costing analysis is our contribution in this paper for

  5. FAR from the grid: A rural electrification field study

    Energy Technology Data Exchange (ETDEWEB)

    Diaz, P.; Pena, R. [Escuela Politecnica, Universidad de Alcala, Campus Universitario, 28805 Alcala de Henares, Madrid (Spain); Arias, C.A.; Sandoval, D. [Empresa Jujena de Servicios Energeticos Dispersos (EJSEDSA), Independencia 60, 4600 San Salvador de Jujuy, Jujuy (Argentina)

    2010-12-15

    This paper analyses the field performance of different off-grid generation technologies applied to the electrification of rural villages. Autonomous diesel generators are the most extended technology. It is a well known application, although it has also some disadvantages: fuel transportation and consumption costs, maintenance needs or environmental problems. In places where accessibility is difficult and costly, the use of local energy resources (basically renewable) constitutes a significant advantage. Due to the intermittent character of those resources, renewable generation systems are sometimes associated to diesel gen-sets in order to increase the reliability of supply of small and medium-size communities. A comparative analysis between diesel, hydro-diesel and photovoltaic-diesel technologies is presented in this article. It is based on data collected from systems installed in the rural area of the province of Jujuy, northwest of Argentina. The study covers from year 2001 to 2008, with a research universe of 16 locations supplied by thermal diesel generation (1 with a large-diesel system and other 15 with smaller ones), 5 locations with hydro-diesel and 7 with photovoltaic-diesel systems. The energy demand evolution of rural villages is also studied because of its influence on the system operation and sustainability. (author)

  6. An Analysis of Delay-based and Integrator-based Sequence Detectors for Grid-Connected Converters

    DEFF Research Database (Denmark)

    Khazraj, Hesam; Silva, Filipe Miguel Faria da; Bak, Claus Leth

    2017-01-01

    -signal cancellation operators are the main members of the delay-based sequence detectors. The aim of this paper is to provide a theoretical and experimental comparative study between integrator and delay based sequence detectors. The theoretical analysis is conducted based on the small-signal modelling......Detecting and separating positive and negative sequence components of the grid voltage or current is of vital importance in the control of grid-connected power converters, HVDC systems, etc. To this end, several techniques have been proposed in recent years. These techniques can be broadly...... classified into two main classes: The integrator-based techniques and Delay-based techniques. The complex-coefficient filter-based technique, dual second-order generalized integrator-based method, multiple reference frame approach are the main members of the integrator-based sequence detector and the delay...

  7. Rapid parameterization of small molecules using the Force Field Toolkit.

    Science.gov (United States)

    Mayne, Christopher G; Saam, Jan; Schulten, Klaus; Tajkhorshid, Emad; Gumbart, James C

    2013-12-15

    The inability to rapidly generate accurate and robust parameters for novel chemical matter continues to severely limit the application of molecular dynamics simulations to many biological systems of interest, especially in fields such as drug discovery. Although the release of generalized versions of common classical force fields, for example, General Amber Force Field and CHARMM General Force Field, have posited guidelines for parameterization of small molecules, many technical challenges remain that have hampered their wide-scale extension. The Force Field Toolkit (ffTK), described herein, minimizes common barriers to ligand parameterization through algorithm and method development, automation of tedious and error-prone tasks, and graphical user interface design. Distributed as a VMD plugin, ffTK facilitates the traversal of a clear and organized workflow resulting in a complete set of CHARMM-compatible parameters. A variety of tools are provided to generate quantum mechanical target data, setup multidimensional optimization routines, and analyze parameter performance. Parameters developed for a small test set of molecules using ffTK were comparable to existing CGenFF parameters in their ability to reproduce experimentally measured values for pure-solvent properties (<15% error from experiment) and free energy of solvation (±0.5 kcal/mol from experiment). Copyright © 2013 Wiley Periodicals, Inc.

  8. Deformation behavior of cell spring of an irradiated spacer grid

    International Nuclear Information System (INIS)

    Jin, Y. G.; Baek, S. J.; Ryu, W. S.; Kim, G. S.; Yoo, B. O.; Kim, D. S.; Ahn, S. B.; Chun, Y. B.; Choo, Y. S.

    2012-01-01

    Mechanical properties of a space grid of a fuel assembly are of great importance for fuel operation reliability in extended fuel burnup and duration of fuel life. The spacer grid with inner and outer straps has cell spring and dimples, which are in contact with the fuel rod. The spacer grids supporting the fuel rods absorb vibration impacts due to the reactor coolant flow and also grid spring force is decreasing under irradiation. This reduction of contact force might cause the grid to rod fretting wear. The fretting failure of the fuel rod is one of the significant issues recently in the nuclear industry from an economical as well as a safety concern. Thus, it is important to understand the characteristics of cell spring behavior for an irradiated spacer grid. In the present study, the stiffness test and dimensional measurement of cell springs were conducted to investigate the deformation behavior of cell springs of an irradiated spacer grid in a hot cell at IMEF (irradiated materials examination facility) of KAERI

  9. caGrid 1.0: a Grid enterprise architecture for cancer research.

    Science.gov (United States)

    Oster, Scott; Langella, Stephen; Hastings, Shannon; Ervin, David; Madduri, Ravi; Kurc, Tahsin; Siebenlist, Frank; Covitz, Peter; Shanbhag, Krishnakant; Foster, Ian; Saltz, Joel

    2007-10-11

    caGrid is the core Grid architecture of the NCI-sponsored cancer Biomedical Informatics Grid (caBIG) program. The current release, caGrid version 1.0, is developed as the production Grid software infrastructure of caBIG. Based on feedback from adopters of the previous version (caGrid 0.5), it has been significantly enhanced with new features and improvements to existing components. This paper presents an overview of caGrid 1.0, its main components, and enhancements over caGrid 0.5.

  10. Development of a Cartesian grid based CFD solver (CARBS)

    International Nuclear Information System (INIS)

    Vaidya, A.M.; Maheshwari, N.K.; Vijayan, P.K.

    2013-12-01

    Formulation for 3D transient incompressible CFD solver is developed. The solution of variable property, laminar/turbulent, steady/unsteady, single/multi specie, incompressible with heat transfer in complex geometry will be obtained. The formulation can handle a flow system in which any number of arbitrarily shaped solid and fluid regions are present. The solver is based on the use of Cartesian grids. A method is proposed to handle complex shaped objects and boundaries on Cartesian grids. Implementation of multi-material, different types of boundary conditions, thermo physical properties is also considered. The proposed method is validated by solving two test cases. 1 st test case is that of lid driven flow in inclined cavity. 2 nd test case is the flow over cylinder. The 1 st test case involved steady internal flow subjected to WALL boundaries. The 2 nd test case involved unsteady external flow subjected to INLET, OUTLET and FREE-SLIP boundary types. In both the test cases, non-orthogonal geometry was involved. It was found that, under such a wide conditions, the Cartesian grid based code was found to give results which were matching well with benchmark data. Convergence characteristics are excellent. In all cases, the mass residue was converged to 1E-8. Based on this, development of 3D general purpose code based on the proposed approach can be taken up. (author)

  11. Size reduction of high- and low-moisture corn stalks by linear knife grid system

    Energy Technology Data Exchange (ETDEWEB)

    Igathinathane, C. [Agricultural and Biological Engineering Department, 130 Creelman Street, Mississippi State University, Mississippi State, Mississippi 39762 (United States); Womac, A.R. [Department of Biosystems Engineering and Soil Science, 2506 E. J. Chapman Drive, The University of Tennessee, Knoxville, Tennessee 37996 (United States); Sokhansanj, S. [Oak Ridge National Laboratory, Environmental Sciences Division, Oak Ridge, P. O. Box 2008, Tennessee 37831 (United States); Narayan, S. [First American Scientific Company, 100 Park Royal South West Vancouver, British Columbia, V7T 1A2 (Canada)

    2009-04-15

    High- and low-moisture corn stalks were tested using a linear knife grid size reduction device developed for first-stage size reduction. The device was used in conjunction with a universal test machine that quantified shearing stress and energy characteristics for forcing a bed of corn stalks through a grid of sharp knives. No published engineering performance data for corn stover with similar devices are available to optimize performance; however, commercial knife grid systems exist for forage size reduction. From the force-displacement data, mean and maximum ultimate shear stresses, cumulative and peak mass-based cutting energies for corn stalks, and mean new surface area-based cutting energies were determined from 4-5 refill runs at two moisture contents (78.8% and 11.3% wet basis), three knife grid spacings (25.4, 50.8, and 101.6 mm), and three bed depths (50.8, 101.6, and 152.4 mm). In general, the results indicated that peak failure load, ultimate shear stress, and cutting energy values varied directly with bed depth and inversely with knife grid spacing. Mean separation analysis established that high- and low-moisture conditions and bed depths {>=} 101.6 mm did not differ significantly (P < 0.05) for ultimate stress and cutting energy values, but knife grid spacing were significantly different. Linear knife grid cutting energy requirements for both moisture conditions of corn stalks were much smaller than reported cutting energy requirements. Ultimate shear stress and cutting energy results of this research should aid the engineering design of commercial scale linear knife gird size reduction equipment for various biomass feedstocks. (author)

  12. A Transflective Nano-Wire Grid Polarizer Based Fiber-Optic Sensor

    Directory of Open Access Journals (Sweden)

    Yan-Qing Lu

    2011-02-01

    Full Text Available A transflective nano-wire grid polarizer is fabricated on a single mode fiber tip by focused ion beam machining. In contrast to conventional absorptive in-line polarizers, the wire grids reflect TE-mode, while transmitting TM-mode light so that no light power is discarded. A reflection contrast of 13.7 dB and a transmission contrast of 4.9 dB are achieved in the 1,550 nm telecom band using a 200-nm wire grid fiber polarizer. With the help of an optic circulator, the polarization states of both the transmissive and reflective lights in the fiber may be monitored simultaneously. A kind of robust fiber optic sensor is thus proposed that could withstand light power variations. To verify the idea, a fiber pressure sensor with the sensitivity of 0.24 rad/N is demonstrated. The corresponding stress-optic coefficient of the fiber is measured. In addition to pressure sensing, this technology could be applied in detecting any polarization state change induced by magnetic fields, electric currents and so on.

  13. Small strain multiphase-field model accounting for configurational forces and mechanical jump conditions

    Science.gov (United States)

    Schneider, Daniel; Schoof, Ephraim; Tschukin, Oleg; Reiter, Andreas; Herrmann, Christoph; Schwab, Felix; Selzer, Michael; Nestler, Britta

    2018-03-01

    Computational models based on the phase-field method have become an essential tool in material science and physics in order to investigate materials with complex microstructures. The models typically operate on a mesoscopic length scale resolving structural changes of the material and provide valuable information about the evolution of microstructures and mechanical property relations. For many interesting and important phenomena, such as martensitic phase transformation, mechanical driving forces play an important role in the evolution of microstructures. In order to investigate such physical processes, an accurate calculation of the stresses and the strain energy in the transition region is indispensable. We recall a multiphase-field elasticity model based on the force balance and the Hadamard jump condition at the interface. We show the quantitative characteristics of the model by comparing the stresses, strains and configurational forces with theoretical predictions in two-phase cases and with results from sharp interface calculations in a multiphase case. As an application, we choose the martensitic phase transformation process in multigrain systems and demonstrate the influence of the local homogenization scheme within the transition regions on the resulting microstructures.

  14. EIAGRID: In-field optimization of seismic data acquisition by real-time subsurface imaging using a remote GRID computing environment.

    Science.gov (United States)

    Heilmann, B. Z.; Vallenilla Ferrara, A. M.

    2009-04-01

    EIAGRID portal provides an innovative solution to this problem combining state-of-the-art data processing methods and modern remote grid computing technology. In field-processing equipment is substituted by remote access to high performance grid computing facilities. The latter can be ubiquitously controlled by a user-friendly web-browser interface accessed from the field by any mobile computer using wireless data transmission technology such as UMTS (Universal Mobile Telecommunications System) or HSUPA/HSDPA (High-Speed Uplink/Downlink Packet Access). The complexity of data-manipulation and processing and thus also the time demanding user interaction is minimized by a data-driven, and highly automated velocity analysis and imaging approach based on the Common-Reflection-Surface (CRS) stack. Furthermore, the huge computing power provided by the grid deployment allows parallel testing of alternative processing sequences and parameter settings, a feature which considerably reduces the turn-around times. A shared data storage using georeferencing tools and data grid technology is under current development. It will allow to publish already accomplished projects, making results, processing workflows and parameter settings available in a transparent and reproducible way. Creating a unified database shared by all users will facilitate complex studies and enable the use of data-crossing techniques to incorporate results of other environmental applications hosted on the GRIDA3 portal.

  15. X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in Water.

    Science.gov (United States)

    Xie, Wangshen; Orozco, Modesto; Truhlar, Donald G; Gao, Jiali

    2009-02-17

    A recently proposed electronic structure-based force field called the explicit polarization (X-Pol) potential is used to study many-body electronic polarization effects in a protein, in particular by carrying out a molecular dynamics (MD) simulation of bovine pancreatic trypsin inhibitor (BPTI) in water with periodic boundary conditions. The primary unit cell is cubic with dimensions ~54 × 54 × 54 Å(3), and the total number of atoms in this cell is 14281. An approximate electronic wave function, consisting of 29026 basis functions for the entire system, is variationally optimized to give the minimum Born-Oppenheimer energy at every MD step; this allows the efficient evaluation of the required analytic forces for the dynamics. Intramolecular and intermolecular polarization and intramolecular charge transfer effects are examined and are found to be significant; for example, 17 out of 58 backbone carbonyls differ from neutrality on average by more than 0.1 electron, and the average charge on the six alanines varies from -0.05 to +0.09. The instantaneous excess charges vary even more widely; the backbone carbonyls have standard deviations in their fluctuating net charges from 0.03 to 0.05, and more than half of the residues have excess charges whose standard deviation exceeds 0.05. We conclude that the new-generation X-Pol force field permits the inclusion of time-dependent quantum mechanical polarization and charge transfer effects in much larger systems than was previously possible.

  16. Environmental Assessment for the National Museum of the United States Air Force Addition, Wright-Patterson Air Force Base, Ohio

    Science.gov (United States)

    2013-02-01

    AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) United States Air Force 88th...Air Base Wing Wright-Patterson Air Force Base, Ohio 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING/MONITORING AGENCY NAME(S) AND ADDRESS(ES...visitors nationwide and from foreign countries. Softball and soccer fields are located adjacent to the Museum grounds and are operated by the 88 Air

  17. The Geographic Information Grid System Based on Mobile Agent

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    We analyze the deficiencies of current application systems, and discuss the key requirements of distributed Geographic Information service (GIS). We construct the distributed GIS on grid platform. Considering the flexibility and efficiency, we integrate the mobile agent technology into the system. We propose a new prototype system, the Geographic Information Grid System (GIGS) based on mobile agent. This system has flexible services and high performance, and improves the sharing of distributed resources. The service strategy of the system and the examples are also presented.

  18. External Force Estimation for Teleoperation Based on Proprioceptive Sensors

    Directory of Open Access Journals (Sweden)

    Enrique del Sol

    2014-03-01

    Full Text Available This paper establishes an approach to external force estimation for telerobotic control in radioactive environments by the use of an identified manipulator model and pressure sensors, without employing a force/torque sensor. The advantages of - and need for - force feedback have been well-established in the field of telerobotics, where electrical and back-drivable manipulators have traditionally been used. This research proposes a methodology employing hydraulic robots for telerobotics tasks based on a model identification scheme. Comparative results of a force sensor and the proposed approach using a hydraulic telemanipulator are presented under different conditions. This approach not only presents a cost effective solution but also a methodology for force estimation in radioactive environments, where the dose rates limit the use of electronic devices such as sensing equipment.

  19. Probing the Importance of Charge Flux in Force Field Modeling.

    Science.gov (United States)

    Sedghamiz, Elaheh; Nagy, Balazs; Jensen, Frank

    2017-08-08

    We analyze the conformational dependence of atomic charges and molecular dipole moments for a selection of ∼900 conformations of peptide models of the 20 neutral amino acids. Based on a set of reference density functional theory calculations, we partition the changes into effects due to changes in bond distances, bond angles, and torsional angles and into geometry and charge flux contributions. This allows an assessment of the limitations of fixed charge force fields and indications for how to design improved force fields. The torsional degrees of freedom are the main contribution to conformational changes of atomic charges and molecular dipole moments, but indirect effects due to change in bond distances and angles account for ∼25% of the variation. Charge flux effects dominate for changes in bond distances and are also the main component of the variation in bond angles, while they are ∼25% compared to the geometry variations for torsional degrees of freedom. The geometry and charge flux contributions to some extent produce compensating effects.

  20. Grid impedance estimation based hybrid islanding detection method for AC microgrids

    DEFF Research Database (Denmark)

    Ghzaiel, Walid; Jebali-Ben Ghorbal, Manel; Slama-Belkhodja, Ilhem

    2017-01-01

    This paper focuses on a hybrid islanding detection algorithm for parallel-inverters-based microgrids. The proposed algorithm is implemented on the unit ensuring the control of the intelligent bypass switch connecting or disconnecting the microgrid from the utility. This method employs a grid...... to avoid interactions with other units. The selected inverter will be the one closest to the controllable distributed generation system or to a healthy grid side in case of meshed microgrid with multiple-grid connections. The detection algorithm is applied to quickly detect the resonance phenomena, so...

  1. Improving mobile robot localization: grid-based approach

    Science.gov (United States)

    Yan, Junchi

    2012-02-01

    Autonomous mobile robots have been widely studied not only as advanced facilities for industrial and daily life automation, but also as a testbed in robotics competitions for extending the frontier of current artificial intelligence. In many of such contests, the robot is supposed to navigate on the ground with a grid layout. Based on this observation, we present a localization error correction method by exploring the geometric feature of the tile patterns. On top of the classical inertia-based positioning, our approach employs three fiber-optic sensors that are assembled under the bottom of the robot, presenting an equilateral triangle layout. The sensor apparatus, together with the proposed supporting algorithm, are designed to detect a line's direction (vertical or horizontal) by monitoring the grid crossing events. As a result, the line coordinate information can be fused to rectify the cumulative localization deviation from inertia positioning. The proposed method is analyzed theoretically in terms of its error bound and also has been implemented and tested on a customary developed two-wheel autonomous mobile robot.

  2. Preliminary thermal analysis of grids for twin source extraction system

    International Nuclear Information System (INIS)

    Pandey, Ravi; Bandyopadhyay, Mainak; Chakraborty, Arun K.

    2017-01-01

    The TWIN (Two driver based Indigenously built Negative ion source) source provides a bridge between the operational single driver based negative ion source test facility, ROBIN in IPR and an ITER-type multi driver based ion source. The source is designed to be operated in CW mode with 180kW, 1MHz, 5s ON/600s OFF duty cycle and also in 5Hz modulation mode with 3s ON/20s OFF duty cycle for 3 such cycle. TWIN source comprises of ion source sub-assembly (consist of driver and plasma box) and extraction system sub-assembly. Extraction system consists of Plasma grid (PG), extraction grid (EG) and Ground grid (GG) sub assembly. Negative ion beams produced at plasma grid seeing the plasma side of ion source will receive moderate heat flux whereas the extraction grid and ground grid would be receiving majority of heat flux from extracted negative ion and co-extracted electron beams. Entire Co-extracted electron beam would be dumped at extraction grid via electron deflection magnetic field making the requirement of thermal and hydraulic design for extraction grid to be critical. All the three grids are made of OFHC Copper and would be actively water cooled keeping the peak temperature rise of grid surface within allowable limit with optimum uniformity. All the grids are to be made by vacuum brazing process where joint strength becomes crucial at elevated temperature. Hydraulic design must maintain the peak temperature at the brazing joint within acceptable limit

  3. Streamwise-body-force-model for rapid simulation combining internal and external flow fields

    Directory of Open Access Journals (Sweden)

    Cui Rong

    2016-10-01

    Full Text Available A streamwise-body-force-model (SBFM is developed and applied in the overall flow simulation for the distributed propulsion system, combining internal and external flow fields. In view of axial stage effects, fan or compressor effects could be simplified as body forces along the streamline. These body forces which are functions of local parameters could be added as source terms in Navier-Stokes equations to replace solid boundary conditions of blades and hubs. The validation of SBFM with uniform inlet and distortion inlet of compressors shows that pressure performance characteristics agree well with experimental data. A three-dimensional simulation of the integration configuration, via a blended wing body aircraft with a distributed propulsion system using the SBFM, has been completed. Lift coefficient and drag coefficient agree well with wind tunnel test results. Results show that to reach the goal of rapid integrated simulation combining internal and external flow fields, the computational fluid dynamics method based on SBFM is reasonable.

  4. Grid-based Simulation of Industrial Thin Film Production

    NARCIS (Netherlands)

    Krzhizhanovskaya, V.V.; Sloot, P.M.A.; Gorbachev, Y.E.

    2005-01-01

    In this article, the authors introduce a Grid-based virtual reactor, a High Level Architecture (HLA)-supported problem-solving environment that allows for detailed numerical study of industrial thin-film production in plasma-enhanced chemical vapor deposition (PECVD) reactors. They briefly describe

  5. Simplified TiO2 force fields for studies of its interaction with biomolecules

    Science.gov (United States)

    Luan, Binquan; Huynh, Tien; Zhou, Ruhong

    2015-06-01

    Engineered TiO2 nanoparticles have been routinely applied in nanotechnology, as well as in cosmetics and food industries. Despite active experimental studies intended to clarify TiO2's biological effects, including potential toxicity, the relation between experimentally inferred nanotoxicity and industry standards for safely applying nanoparticles remains somewhat ambiguous with justified concerns. Supplemental to experiments, molecular dynamics simulations have proven to be efficacious in investigating the molecular mechanism of a biological process occurring at nanoscale. In this article, to facilitate the nanotoxicity and nanomedicine research related to this important metal oxide, we provide a simplified force field, based on the original Matsui-Akaogi force field but compatible to the Lennard-Jones potentials normally used in modeling biomolecules, for simulating TiO2 nanoparticles interacting with biomolecules. The force field parameters were tested in simulating the bulk structure of TiO2, TiO2 nanoparticle-water interaction, as well as the adsorption of proteins on the TiO2 nanoparticle. We demonstrate that these simulation results are consistent with experimental data/observations. We expect that simulations will help to better understand the interaction between TiO2 and molecules.

  6. Enhanced Particle Swarm Optimization Algorithm: Efficient Training of ReaxFF Reactive Force Fields.

    Science.gov (United States)

    Furman, David; Carmeli, Benny; Zeiri, Yehuda; Kosloff, Ronnie

    2018-05-04

    Particle swarm optimization is a powerful metaheuristic population-based global optimization algorithm. However, when applied to non-separable objective functions its performance on multimodal landscapes is significantly degraded. Here we show that a significant improvement in the search quality and efficiency on multimodal functions can be achieved by enhancing the basic rotation-invariant particle swarm optimization algorithm with isotropic Gaussian mutation operators. The new algorithm demonstrates a superior performance across several nonlinear, multimodal benchmark functions compared to the rotation-invariant Particle Swam Optimization (PSO) algorithm and the well-established simulated annealing and sequential one-parameter parabolic interpolation methods. A search for the optimal set of parameters for the dispersion interaction model in ReaxFF-lg reactive force field is carried out with respect to accurate DFT-TS calculations. The resulting optimized force field accurately describes the equations of state of several high-energy molecular crystals where such interactions are of crucial importance. The improved algorithm also presents a better performance compared to a Genetic Algorithm optimization method in the optimization of a ReaxFF-lg correction model parameters. The computational framework is implemented in a standalone C++ code that allows a straightforward development of ReaxFF reactive force fields.

  7. Communication and Networking in Smart Grids

    CERN Document Server

    Xiao, Yang

    2012-01-01

    Appropriate for researchers, practitioners, and students alike, Communication and Networking in Smart Grids presents state-of-the-art approaches and novel technologies for communication networks in smart grids. It explains how contemporary grid networks are developed and deployed and presents a collection of cutting-edge advances to help improve current practice. Prominent researchers working on smart grids and in related fields around the world explain the fundamental aspects and applications of smart grids. Describing the role that communication and networking will play in future smart grids

  8. Hierarchical Controlled Grid-Connected Microgrid based on a Novel Autonomous Current Sharing Controller

    DEFF Research Database (Denmark)

    Guan, Yajuan; Quintero, Juan Carlos Vasquez; Guerrero, Josep M.

    2015-01-01

    In this paper, a hierarchical control system based on a novel autonomous current sharing controller for grid-connected microgrids (MGs) is presented. A three-level hierarchical control system is implemented to guarantee the power sharing performance among voltage controlled parallel inverters......, while providing the required active and reactive power to the utility grid. A communication link is used to transmit the control signal from the tertiary and secondary control levels to the primary control. Simulation results from a MG based on two grid-connected parallel inverters are shown in order...

  9. Transferable Force Field for Metal–Organic Frameworks from First-Principles: BTW-FF

    Science.gov (United States)

    2014-01-01

    We present an ab-initio derived force field to describe the structural and mechanical properties of metal–organic frameworks (or coordination polymers). The aim is a transferable interatomic potential that can be applied to MOFs regardless of metal or ligand identity. The initial parametrization set includes MOF-5, IRMOF-10, IRMOF-14, UiO-66, UiO-67, and HKUST-1. The force field describes the periodic crystal and considers effective atomic charges based on topological analysis of the Bloch states of the extended materials. Transferable potentials were developed for the four organic ligands comprising the test set and for the associated Cu, Zn, and Zr metal nodes. The predicted materials properties, including bulk moduli and vibrational frequencies, are in agreement with explicit density functional theory calculations. The modal heat capacity and lattice thermal expansion are also predicted. PMID:25574157

  10. Nuclear Forces from Effective Field Theory

    International Nuclear Information System (INIS)

    Krebs, H.

    2011-01-01

    Chiral effective field theory allows for a systematic and model-independent derivation of the forces between nucleons in harmony with the symmetries of the quantum chromodynamics. After a brief review on the current status in the development of the chiral nuclear forces I will focus on the role of the Δ-resonance contributions in the nuclear dynamics.We find improvement in the convergence of the chiral expansion of the nuclear forces if we explicitly take into account the Δ-resonance degrees of freedom. The overall results for two-nucleon forces with and without explicit Δ-resonance degrees of freedom are remarkably similar. We discussed the long- and shorter-range N 3 LO contributions to chiral three-nucleon forces. No additional free parameters appear at this order. There are five different topology classes which contribute to the forces. Three of them describe long-range contributions which constitute the first systematic corrections to the leading 2π exchange that appear at N 2 LO. Another two contributions are of a shorter range and include, additionally to an exchange of pions, also one short-range contact interaction and all corresponding 1/m corrections. The requirement of renormalizability leads to unique expressions for N 3 LO contributions to the three-nucleon force (except for 1/m-corrections). We presented the complete N 2 LO analysis of the nuclear forces with explicit Δ-isobar degrees of freedom. Although the overall results in the isospin-conserving case are very similar in the Δ-less and Δ-full theories, we found a much better convergence in all peripheral partial waves once Δ-resonance is explicitly taken into account. The leading CSB contributions to nuclear forces are proportional to nucleon- and Δ-mass splittings. There appear strong cancellations between the two contributions which at leading order yield weaker V III potentials. This effect is, however, entirely compensated at subleading order such that the results in the theories

  11. [Environmental investigation of ground water contamination at Wright-Patterson Air Force Base, Ohio]. Volume 5, Field Investigation report

    Energy Technology Data Exchange (ETDEWEB)

    1992-03-01

    An environmental investigation of ground water conditions has been undertaken at Wright-Patterson Air Force Base (WPAFB), Ohio to obtain data to assist in the evaluation of a potential removal action to prevent, to the extent practicable, migration of the contaminated ground water across Base boundaries. Field investigations were limited to the central section of the southwestern boundary of Area C and the Springfield Pike boundary of Area B. Further, the study was limited to a maximum depth of 150 feet below grade. Three primary activities of the field investigation were: (1) installation of 22 monitoring wells, (2) collection and analysis of ground water from 71 locations, (3) measurement of ground water elevations at 69 locations. Volatile organic compounds including trichloroethylene, perchloroethylene, and/or vinyl chloride were detected in concentrations exceeding Maximum Contaminant Levels (MCL) at three locations within the Area C investigation area. Ground water at the Springfield Pike boundary of Area B occurs in two primary units, separated by a thicker-than-expected clay layers. One well within Area B was determined to exceed the MCL for trichloroethylene.

  12. Grid based calibration of SWAT hydrological models

    Directory of Open Access Journals (Sweden)

    D. Gorgan

    2012-07-01

    Full Text Available The calibration and execution of large hydrological models, such as SWAT (soil and water assessment tool, developed for large areas, high resolution, and huge input data, need not only quite a long execution time but also high computation resources. SWAT hydrological model supports studies and predictions of the impact of land management practices on water, sediment, and agricultural chemical yields in complex watersheds. The paper presents the gSWAT application as a web practical solution for environmental specialists to calibrate extensive hydrological models and to run scenarios, by hiding the complex control of processes and heterogeneous resources across the grid based high computation infrastructure. The paper highlights the basic functionalities of the gSWAT platform, and the features of the graphical user interface. The presentation is concerned with the development of working sessions, interactive control of calibration, direct and basic editing of parameters, process monitoring, and graphical and interactive visualization of the results. The experiments performed on different SWAT models and the obtained results argue the benefits brought by the grid parallel and distributed environment as a solution for the processing platform. All the instances of SWAT models used in the reported experiments have been developed through the enviroGRIDS project, targeting the Black Sea catchment area.

  13. DC Grids for Smart LED-Based Lighting: The EDISON Solution

    Directory of Open Access Journals (Sweden)

    Steffen Thielemans

    2017-09-01

    Full Text Available This paper highlights the benefits and possible drawbacks of a DC-based lighting infrastructure for powering Light Emitting Diode (LED-lamps. It also evaluates the efforts needed for integrating the so called smart lighting and other sensor/actuator based control systems, and compares existing and emerging solutions. It reviews and discusses published work in this field with special focus on the intelligent DC-based infrastructure named EDISON that is primarily dedicated to lighting, but is applicable to building automation in general. The EDISON “PowerLAN” consists of a DC-based infrastructure that offers telecommunication abilities and can be applied to lighting retrofitting scenarios for buildings. Its infrastructure allows simple and efficient powering of DC-oriented devices like LED lamps, sensors and microcontrollers, while offering a wired communication channel. This paper motivates the design choices for organizing DC lighting grids and their associated communication possibilities. It also shows how the EDISON based smart lighting solution is evolving today to include new communication technologies and to further integrate other parts of building management solutions through the OneM2M (Machine to Machine service bus.

  14. Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

    Energy Technology Data Exchange (ETDEWEB)

    Kelley, Anne Myers [Chemistry and Chemical Biology, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States)

    2016-06-07

    Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ~2.8 and ~5.2 nm (~410 and ~2630 atoms, respectively). The three force fields include one that contains only two-body interactions (Lennard-Jones plus Coulomb), a Tersoff-type force field that contains both two-body and three-body interactions but no Coulombic terms, and a Stillinger-Weber type force field that contains Coulombic interactions plus two-body and three-body terms. While all three force fields predict nearly identical peak frequencies for the strongly Raman-active “longitudinal optical” phonon in the quantum dots, the predictions for the width of the Raman peak, the peak frequency and width of the infrared absorption peak, and the degree of disorder in the structure are very different. The three force fields also give very different predictions for the variation in phonon frequency with radial position (core versus surface). The Stillinger-Weber plus Coulomb type force field gives the best overall agreement with available experimental data.

  15. Adaptation of Powerline Communications-Based Smart Metering Deployments to the Requirements of Smart Grids

    Directory of Open Access Journals (Sweden)

    Alberto Sendin

    2015-11-01

    Full Text Available Powerline communications (PLC-based smart meter deployments are now a reality in many regions of the world. Although PLC elements are generally incorporated in smart meters and data concentrators, the underlying PLC network allows the integration of other smart grid services directly over it. The remote control capabilities that automation programs need and are today deployed over their medium voltage (MV grid, can be extended to the low voltage (LV grid through these existing PLC networks. This paper demonstrates the capabilities of narrowband high data rate (NB HDR PLC technologies deployed over LV grids for smart metering purposes to support internet protocol internet protocol (IP communications in the LV grid. The paper demonstrates these possibilities with the presentation of the simulation and laboratory results of IP communications over international telecommunication union: ITU-T G.9904 PLC technology, and the definition of a PLC Network Management System based on a simple network management protocol (SNMP management information base (MIB definition and applicable use cases.

  16. The Knowledge Base Interface for Parametric Grid Information

    International Nuclear Information System (INIS)

    Hipp, James R.; Simons, Randall W.; Young, Chris J.

    1999-01-01

    The parametric grid capability of the Knowledge Base (KBase) provides an efficient robust way to store and access interpolatable information that is needed to monitor the Comprehensive Nuclear Test Ban Treaty. To meet both the accuracy and performance requirements of operational monitoring systems, we use an approach which combines the error estimation of kriging with the speed and robustness of Natural Neighbor Interpolation. The method involves three basic steps: data preparation, data storage, and data access. In past presentations we have discussed in detail the first step. In this paper we focus on the latter two, describing in detail the type of information which must be stored and the interface used to retrieve parametric grid data from the Knowledge Base. Once data have been properly prepared, the information (tessellation and associated value surfaces) needed to support the interface functionality, can be entered into the KBase. The primary types of parametric grid data that must be stored include (1) generic header information; (2) base model, station, and phase names and associated ID's used to construct surface identifiers; (3) surface accounting information; (4) tessellation accounting information; (5) mesh data for each tessellation; (6) correction data defined for each surface at each node of the surfaces owning tessellation (7) mesh refinement calculation set-up and flag information; and (8) kriging calculation set-up and flag information. The eight data components not only represent the results of the data preparation process but also include all required input information for several population tools that would enable the complete regeneration of the data results if that should be necessary

  17. Solution of Poisson equations for 3-dimensional grid generations. [computations of a flow field over a thin delta wing

    Science.gov (United States)

    Fujii, K.

    1983-01-01

    A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

  18. Synchronization method for grid integrated battery storage systems during asymmetrical grid faults

    Directory of Open Access Journals (Sweden)

    Popadić Bane

    2017-01-01

    Full Text Available This paper aims at presenting a robust and reliable synchronization method for battery storage systems during asymmetrical grid faults. For this purpose, a Matlab/Simulink based model for testing of the power electronic interface between the grid and the battery storage systems has been developed. The synchronization method proposed in the paper is based on the proportional integral resonant controller with the delay signal cancellation. The validity of the synchronization method has been verified using the advanced laboratory station for the control of grid connected distributed energy sources. The proposed synchronization method has eliminated unfavourable components from the estimated grid angular frequency, leading to the more accurate and reliable tracking of the grid voltage vector positive sequence during both the normal operation and the operation during asymmetrical grid faults. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. III 042004: Integrated and Interdisciplinary Research entitled: Smart Electricity Distribution Grids Based on Distribution Management System and Distributed Generation

  19. Towards grid parity in insular energy systems: The case of photovoltaics (PV) in Cyprus

    International Nuclear Information System (INIS)

    Fokaides, Paris A.; Kylili, Angeliki

    2014-01-01

    Grid parity is defined as the threshold at which a grid-connected renewable energy sources (RES) system supplies electricity to the end user at the same price as grid-supplied electricity. Predictions from the 2006 time-frame expected retail grid parity for solar in the 2016 to 2020 era, but due to rapid downward pricing changes, more recent calculations have forced dramatic reductions in time scale, and the suggestion that solar has already reached grid parity in a wide variety of locations. This study presents aspects of achieving grid parity in insular energy systems, based on a case study applied in Cyprus. The analysis presents the variation of the manufacturing cost, the selling price of the produced energy, and the performance of the solar panels to examine the conditions of accomplishing grid parity event. It is also concluded that grid parity may be easier achieved in insular energy systems due to the higher cost of primary energy. - Highlights: • This study presents aspects of achieving grid parity in insular energy systems, based on a case study applied in Cyprus. • The impact of the manufacturing cost and the feed in tariff on accomplishing grid parity event is analysed. • A sensitivity analysis is conducted to define the parameters that strongly affect the goal of grid parity. • It is concluded that grid parity may be easier achieved in insular energy systems due to the higher cost of primary energy

  20. Real field mission profile oriented design of a SiC-based PV-inverter application

    DEFF Research Database (Denmark)

    Sintamarean, Nicolae Christian; Blaabjerg, Frede; Wang, Huai

    2013-01-01

    This paper introduces a real field mission profile oriented design tool for the new generation of grid connected PV-inverters applications based on SiC-devices. The proposed design tool consists of a grid connected PV-inverter model, an ElectroThermal model, a converter safe operating area (SOA...... Zth_H in order to perform in a safe mode for the whole operating range. Furthermore, the proposed design tool considers the mission profile (the measured solar irradiance and ambient temperature) from the real field where the converter will operate. Thus, a realistic loading of the converter devices......) model, a mission profile model and an the evaluation block. The PV-system model involves a three level bipolar switch neutral point clamped (3L-BS NPC) inverter connected to the three phase grid through a LCL-filter. Moreover, the SOA model calculates the required converter heatsink thermal impedance...

  1. Visualization of big SPH simulations via compressed octree grids

    KAUST Repository

    Reichl, Florian

    2013-10-01

    Interactive and high-quality visualization of spatially continuous 3D fields represented by scattered distributions of billions of particles is challenging. One common approach is to resample the quantities carried by the particles to a regular grid and to render the grid via volume ray-casting. In large-scale applications such as astrophysics, however, the required grid resolution can easily exceed 10K samples per spatial dimension, letting resampling approaches appear unfeasible. In this paper we demonstrate that even in these extreme cases such approaches perform surprisingly well, both in terms of memory requirement and rendering performance. We resample the particle data to a multiresolution multiblock grid, where the resolution of the blocks is dictated by the particle distribution. From this structure we build an octree grid, and we then compress each block in the hierarchy at no visual loss using wavelet-based compression. Since decompression can be performed on the GPU, it can be integrated effectively into GPU-based out-of-core volume ray-casting. We compare our approach to the perspective grid approach which resamples at run-time into a view-aligned grid. We demonstrate considerably faster rendering times at high quality, at only a moderate memory increase compared to the raw particle set. © 2013 IEEE.

  2. Enhancing adaptive sparse grid approximations and improving refinement strategies using adjoint-based a posteriori error estimates

    Science.gov (United States)

    Jakeman, J. D.; Wildey, T.

    2015-01-01

    In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the physical discretization error and the interpolation error in the sparse grid to enhance the sparse grid approximation and to drive adaptivity of the sparse grid. Utilizing these error estimates provides significantly more accurate functional values for random samples of the sparse grid approximation. We also demonstrate that alternative refinement strategies based upon a posteriori error estimates can lead to further increases in accuracy in the approximation over traditional hierarchical surplus based strategies. Throughout this paper we also provide and test a framework for balancing the physical discretization error with the stochastic interpolation error of the enhanced sparse grid approximation.

  3. Enhancing adaptive sparse grid approximations and improving refinement strategies using adjoint-based a posteriori error estimates

    International Nuclear Information System (INIS)

    Jakeman, J.D.; Wildey, T.

    2015-01-01

    In this paper we present an algorithm for adaptive sparse grid approximations of quantities of interest computed from discretized partial differential equations. We use adjoint-based a posteriori error estimates of the physical discretization error and the interpolation error in the sparse grid to enhance the sparse grid approximation and to drive adaptivity of the sparse grid. Utilizing these error estimates provides significantly more accurate functional values for random samples of the sparse grid approximation. We also demonstrate that alternative refinement strategies based upon a posteriori error estimates can lead to further increases in accuracy in the approximation over traditional hierarchical surplus based strategies. Throughout this paper we also provide and test a framework for balancing the physical discretization error with the stochastic interpolation error of the enhanced sparse grid approximation

  4. Rapid changes in corticospinal excitability during force field adaptation of human walking

    DEFF Research Database (Denmark)

    Barthélemy, Dorothy; Alain, S; Grey, Michael James

    2012-01-01

    measured changes in motor-evoked potentials (MEPs) elicited by transcranial magnetic stimulation (TMS) in the tibialis anterior (TA) muscle before, during, and after subjects adapted to a force field applied to the ankle joint during treadmill walking. When the force field assisted dorsiflexion during...... the swing phase of the step cycle, subjects adapted by decreasing TA EMG activity. In contrast, when the force field resisted dorsiflexion, they increased TA EMG activity. After the force field was removed, normal EMG activity gradually returned over the next 5 min of walking. TA MEPs elicited in the early...... be explained by changes in background TA EMG activity. These effects seemed specific to walking, as similar changes in TA MEP were not seen when seated subjects were tested during static dorsiflexion. These observations suggest that the corticospinal tract contributes to the adaptation of walking...

  5. Control strategy based on SPWM switching patterns for grid connected photovoltaic inverter

    Science.gov (United States)

    Hassaine, L.; Mraoui, A.

    2017-02-01

    Generally, for lower installation of photovoltaic systems connected to the grid, pulse width modulation (PWM) is a widely used technique for controlling the voltage source inverters injects currents into the grid. The current injected must be sinusoidal with reduced harmonic distortion. In this paper, a digital implementation of a control strategy based on PWM switching patterns for an inverter for photovoltaic system connected to the grid is presented. This strategy synchronize a sinusoidal inverter output current with a grid voltage The digital implementation of the proposed PWM switching pattern when is compared with the conventional one exhibit the advantage: Simplicity, reduction of the memory requirements and power calculation for the control

  6. Topological and statistical properties of nonlinear force-free fields

    Science.gov (United States)

    Mangalam, A.; Prasad, A.

    2018-01-01

    We use our semi-analytic solution of the nonlinear force-free field equation to construct three-dimensional magnetic fields that are applicable to the solar corona and study their statistical properties for estimating the degree of braiding exhibited by these fields. We present a new formula for calculating the winding number and compare it with the formula for the crossing number. The comparison is shown for a toy model of two helices and for realistic cases of nonlinear force-free fields; conceptually the formulae are nearly the same but the resulting distributions calculated for a given topology can be different. We also calculate linkages, which are useful topological quantities that are independent measures of the contribution of magnetic braiding to the total free energy and relative helicity of the field. Finally, we derive new analytical bounds for the free energy and relative helicity for the field configurations in terms of the linking number. These bounds will be of utility in estimating the braided energy available for nano-flares or for eruptions.

  7. Wave fields simulation in difficult terrain using numerical grid method; Hyoko henka no aru chiiki deno suchi koshi wo mochiita hado simulation

    Energy Technology Data Exchange (ETDEWEB)

    Jung, W; Ogawa, T [Yokohama National University, Yokohama (Japan); Tamagawa, T; Matsuoka, T [Japan Petroleum Exploration Corp., Tokyo (Japan)

    1997-10-22

    This paper describes that a high-accuracy simulation can be made on seismic exploration by using the numerical grid method. When applying a wave field simulation using the difference calculus to an area subjected to seismic exploration, a problem occurs as to how a boundary of the velocity structure including the ground surface should be dealt with. Simply applying grids to a boundary changing continuously makes accuracy of the simulation worse. The difference calculus using a numerical grid is a method to solve the problem by imaging a certain region into a rectangular region through use of variable conversion, which can impose the boundary condition more accurately. The wave field simulation was carried out on a simple two-layer inclined structure and a two-layer waved structure. It was revealed that amplitudes of direct waves and reflection waves are disturbed in the case where no numerical grid method is applied, and the amplitudes are more disperse in the reflection waves than those obtained by using the numerical grid method. 7 refs., 10 figs.

  8. An Efficient Topology-Based Algorithm for Transient Analysis of Power Grid

    KAUST Repository

    Yang, Lan

    2015-08-10

    In the design flow of integrated circuits, chip-level verification is an important step that sanity checks the performance is as expected. Power grid verification is one of the most expensive and time-consuming steps of chip-level verification, due to its extremely large size. Efficient power grid analysis technology is highly demanded as it saves computing resources and enables faster iteration. In this paper, a topology-base power grid transient analysis algorithm is proposed. Nodal analysis is adopted to analyze the topology which is mathematically equivalent to iteratively solving a positive semi-definite linear equation. The convergence of the method is proved.

  9. Charm production and the confining force field

    International Nuclear Information System (INIS)

    Andersson, B.; Bengtsson, H.-U.; Gustafson, G.

    1983-03-01

    We show that charm production at SPS energies can be understood simply from O(α 2 sub (s)) QCD processes when combined with fragmentation of the colour fields stretched by the final state partons. The tension of the confining force field responsible for particle production is found to pull the charmed particles away from the reaction centre, giving rise to a harder x sub (F)-spectrum than would be expected from the bare QCD matrix elements. (Authors)

  10. Power Grid Construction Project Portfolio Optimization Based on Bi-level programming model

    Science.gov (United States)

    Zhao, Erdong; Li, Shangqi

    2017-08-01

    As the main body of power grid operation, county-level power supply enterprises undertake an important emission to guarantee the security of power grid operation and safeguard social power using order. The optimization of grid construction projects has been a key issue of power supply capacity and service level of grid enterprises. According to the actual situation of power grid construction project optimization of county-level power enterprises, on the basis of qualitative analysis of the projects, this paper builds a Bi-level programming model based on quantitative analysis. The upper layer of the model is the target restriction of the optimal portfolio; the lower layer of the model is enterprises’ financial restrictions on the size of the enterprise project portfolio. Finally, using a real example to illustrate operation proceeding and the optimization result of the model. Through qualitative analysis and quantitative analysis, the bi-level programming model improves the accuracy and normative standardization of power grid enterprises projects.

  11. An Adaptive Sparse Grid Algorithm for Elliptic PDEs with Lognormal Diffusion Coefficient

    KAUST Repository

    Nobile, Fabio

    2016-03-18

    In this work we build on the classical adaptive sparse grid algorithm (T. Gerstner and M. Griebel, Dimension-adaptive tensor-product quadrature), obtaining an enhanced version capable of using non-nested collocation points, and supporting quadrature and interpolation on unbounded sets. We also consider several profit indicators that are suitable to drive the adaptation process. We then use such algorithm to solve an important test case in Uncertainty Quantification problem, namely the Darcy equation with lognormal permeability random field, and compare the results with those obtained with the quasi-optimal sparse grids based on profit estimates, which we have proposed in our previous works (cf. e.g. Convergence of quasi-optimal sparse grids approximation of Hilbert-valued functions: application to random elliptic PDEs). To treat the case of rough permeability fields, in which a sparse grid approach may not be suitable, we propose to use the adaptive sparse grid quadrature as a control variate in a Monte Carlo simulation. Numerical results show that the adaptive sparse grids have performances similar to those of the quasi-optimal sparse grids and are very effective in the case of smooth permeability fields. Moreover, their use as control variate in a Monte Carlo simulation allows to tackle efficiently also problems with rough coefficients, significantly improving the performances of a standard Monte Carlo scheme.

  12. Force field refinement from NMR scalar couplings

    Energy Technology Data Exchange (ETDEWEB)

    Huang Jing [Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland); Meuwly, Markus, E-mail: m.meuwly@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland)

    2012-03-02

    Graphical abstract: We show that two classes of H-bonds are sufficient to quantitatively describe scalar NMR coupling constants in small proteins. Highlights: Black-Right-Pointing-Pointer We present force field refinements based on explicit MD simulations using scalar couplings across hydrogen bonds. Black-Right-Pointing-Pointer This leads to {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings to within 0.03 Hz at best compared to experiment. Black-Right-Pointing-Pointer A classification of H-bonds according to secondary structure is not sufficiently robust. Black-Right-Pointing-Pointer Grouping H-bonds into two classes and reparametrization yields an RMSD of 0.07 Hz. Black-Right-Pointing-Pointer This is an improvement of 50. - Abstract: NMR observables contain valuable information about the protein dynamics sampling a high-dimensional potential energy surface. Depending on the observable, the dynamics is sensitive to different time-windows. Scalar coupling constants {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} reflect the pico- to nanosecond motions associated with the intermolecular hydrogen bond network. Including an explicit H-bond in the molecular mechanics with proton transfer (MMPT) potential allows us to reproduce experimentally determined {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings to within 0.02 Hz at best for ubiquitin and protein G. This is based on taking account of the chemically changing environment by grouping the H-bonds into up to seven classes. However, grouping them into two classes already reduces the RMSD between computed and observed {sup h3}J{sub NC{sup }{sup P}{sup r}{sup i}{sup m}{sup e}} couplings by almost 50%. Thus, using ensemble-averaged data with two classes of H-bonds leads to substantially improved scalar couplings from simulations with accurate force fields.

  13. New solutions for effective access powerline solutions. The European smart grid project DLC+VIT4IP; Neue Ansaetz fuer leistungsfaehige Access-Powerline-Loesungen. Das Europaeische Smart-Grid Projekt DLC+VIT4IP

    Energy Technology Data Exchange (ETDEWEB)

    Offner, Georg [devolo AG, Aachen (Germany)

    2011-07-01

    By the European DLC+VIT4IP project the development of innovative smart grid solutions for a better handling of energy resources is forced. Smart grid ensures the stable operation of a decentralized electric supply network, where more and more small suppliers contribute by solar or wind energy technology. Business customers as well as private customers benefit from smart grid, as they get instant information about their actual consumption by the Internet. Covered by the project there will be developed new approaches of access powerline communications which provide an effective, IPv6 based communication e.g. between electric meters at home and the power net station. (orig.)

  14. Synergisms between smart metering and smart grid; Synergien zwischen Smart Metering und Smart Grid

    Energy Technology Data Exchange (ETDEWEB)

    Maas, Peter [IDS GmbH, Ettlingen (Germany)

    2010-04-15

    With the implementation of a smart metering solution, it is not only possible to acquire consumption data for billing but also to acquire relevant data of the distribution grid for grid operation. There is still a wide gap between the actual condition and the target condition. Synergies result from the use of a common infrastructure which takes account both of the requirements of smart metering and of grid operation. An open architecture also enables the future integration of further applications of the fields of smart grid and smart home. (orig.)

  15. A ferrofluid based artificial tactile sensor with magnetic field control

    Energy Technology Data Exchange (ETDEWEB)

    Volkova, T.I., E-mail: tatiana.volkova@tu-ilmenau.de [Technical Mechanics Group, Faculty of Mechanical Engineering, Technische Universität Ilmenau, Ilmenau D-98684 (Germany); Böhm, V., E-mail: valter.boehm@tu-ilmenau.de [Technical Mechanics Group, Faculty of Mechanical Engineering, Technische Universität Ilmenau, Ilmenau D-98684 (Germany); Naletova, V.A., E-mail: naletova@imec.msu.ru [Faculty of Mechanics and Mathematics, Lomonosov Moscow State University, 119991 Moscow (Russian Federation); Kaufhold, T., E-mail: tobias.kaufhold@tu-ilmenau.de [Technical Mechanics Group, Faculty of Mechanical Engineering, Technische Universität Ilmenau, Ilmenau D-98684 (Germany); Becker, F., E-mail: felix.becker@tu-ilmenau.de [Technical Mechanics Group, Faculty of Mechanical Engineering, Technische Universität Ilmenau, Ilmenau D-98684 (Germany); Zeidis, I., E-mail: igor.zeidis@tu-ilmenau.de [Technical Mechanics Group, Faculty of Mechanical Engineering, Technische Universität Ilmenau, Ilmenau D-98684 (Germany); Zimmermann, K., E-mail: klaus.zimmermann@tu-ilmenau.de [Technical Mechanics Group, Faculty of Mechanical Engineering, Technische Universität Ilmenau, Ilmenau D-98684 (Germany)

    2017-06-01

    The paper deals with a tactile sensor inspired by biological hairs of mammals. The working principle is based on the effect of the magnetic force exerted on a paramagnetic body submerged into a ferrofluid volume under the influence of a nonuniform magnetic field. The deflection of the sensor's rod caused by external mechanical stimuli may be unambiguously identified by the distortion of the magnetic field, which occurs due to the motion of the attached body in the ferrofluid. The magnetic force acting on the body is evaluated experimentally and theoretically for the nonuniform magnetic field of a permanent magnet. The controlled oscillations of the rod are realised by applying a nonuniform magnetic field of periodically altering direction. - Highlights: • A design approach of a tactile sensor inspired by special mammalian hairs is presented. • The working principle is based on magnetic properties of a ferrofluid in magnetic fields. • The magnetic force acting on a body submerged into a ferrofluid volume is evaluated. • External mechanical stimuli may be identified by the distortion of the magnetic field. • The controlled whisking-like oscillations of the sensor's rod are realised experimentally.

  16. A ferrofluid based artificial tactile sensor with magnetic field control

    International Nuclear Information System (INIS)

    Volkova, T.I.; Böhm, V.; Naletova, V.A.; Kaufhold, T.; Becker, F.; Zeidis, I.; Zimmermann, K.

    2017-01-01

    The paper deals with a tactile sensor inspired by biological hairs of mammals. The working principle is based on the effect of the magnetic force exerted on a paramagnetic body submerged into a ferrofluid volume under the influence of a nonuniform magnetic field. The deflection of the sensor's rod caused by external mechanical stimuli may be unambiguously identified by the distortion of the magnetic field, which occurs due to the motion of the attached body in the ferrofluid. The magnetic force acting on the body is evaluated experimentally and theoretically for the nonuniform magnetic field of a permanent magnet. The controlled oscillations of the rod are realised by applying a nonuniform magnetic field of periodically altering direction. - Highlights: • A design approach of a tactile sensor inspired by special mammalian hairs is presented. • The working principle is based on magnetic properties of a ferrofluid in magnetic fields. • The magnetic force acting on a body submerged into a ferrofluid volume is evaluated. • External mechanical stimuli may be identified by the distortion of the magnetic field. • The controlled whisking-like oscillations of the sensor's rod are realised experimentally.

  17. The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building.

    Science.gov (United States)

    Dupradeau, François-Yves; Pigache, Adrien; Zaffran, Thomas; Savineau, Corentin; Lelong, Rodolphe; Grivel, Nicolas; Lelong, Dimitri; Rosanski, Wilfried; Cieplak, Piotr

    2010-07-28

    Deriving atomic charges and building a force field library for a new molecule are key steps when developing a force field required for conducting structural and energy-based analysis using molecular mechanics. Derivation of popular RESP charges for a set of residues is a complex and error prone procedure because it depends on numerous input parameters. To overcome these problems, the R.E.D. Tools (RESP and ESP charge Derive, ) have been developed to perform charge derivation in an automatic and straightforward way. The R.E.D. program handles chemical elements up to bromine in the periodic table. It interfaces different quantum mechanical programs employed for geometry optimization and computing molecular electrostatic potential(s), and performs charge fitting using the RESP program. By defining tight optimization criteria and by controlling the molecular orientation of each optimized geometry, charge values are reproduced at any computer platform with an accuracy of 0.0001 e. The charges can be fitted using multiple conformations, making them suitable for molecular dynamics simulations. R.E.D. allows also for defining charge constraints during multiple molecule charge fitting, which are used to derive charges for molecular fragments. Finally, R.E.D. incorporates charges into a force field library, readily usable in molecular dynamics computer packages. For complex cases, such as a set of homologous molecules belonging to a common family, an entire force field topology database is generated. Currently, the atomic charges and force field libraries have been developed for more than fifty model systems and stored in the RESP ESP charge DDataBase. Selected results related to non-polarizable charge models are presented and discussed.

  18. Dipole and quadrupole forces exerted on atoms in laser fields: The nonperturbative approach

    International Nuclear Information System (INIS)

    Sindelka, Milan; Moiseyev, Nimrod; Cederbaum, Lorenz S.

    2006-01-01

    Manipulation of cold atoms by lasers has so far been studied solely within the framework of the conventional dipole approximation, and the atom-light interaction has been treated using low order perturbation theory. Laser control of atomic motions has been ascribed exclusively to the corresponding light-induced dipole forces. In this work, we present a general theory to derive the potential experienced by an atom in a monochromatic laser field in a context analogous to the Born-Oppenheimer approximation for molecules in the field-free case. The formulation goes beyond the dipole approximation and gives rise to the field-atom coupling potential terms which so far have not been taken into consideration in theoretical or experimental studies. Contrary to conventional approaches, our method is based upon the many electron Floquet theory and remains valid also for high intensity laser fields (i.e., for a strongly nonperturbative atom-light interaction). As an illustration of the developed theory, we investigate the trapping of cold atoms in optical lattices. We find that for some atoms for specific laser parameters, despite the absence of the dipole force, the laser trapping is still possible due to the electric quadrupole forces. Namely, we show that by using realistic laser parameters one can form a quadrupole optical lattice which is sufficiently strong to trap Ca and Na atoms

  19. Comparative analysis of existing models for power-grid synchronization

    International Nuclear Information System (INIS)

    Nishikawa, Takashi; Motter, Adilson E

    2015-01-01

    The dynamics of power-grid networks is becoming an increasingly active area of research within the physics and network science communities. The results from such studies are typically insightful and illustrative, but are often based on simplifying assumptions that can be either difficult to assess or not fully justified for realistic applications. Here we perform a comprehensive comparative analysis of three leading models recently used to study synchronization dynamics in power-grid networks—a fundamental problem of practical significance given that frequency synchronization of all power generators in the same interconnection is a necessary condition for a power grid to operate. We show that each of these models can be derived from first principles within a common framework based on the classical model of a generator, thereby clarifying all assumptions involved. This framework allows us to view power grids as complex networks of coupled second-order phase oscillators with both forcing and damping terms. Using simple illustrative examples, test systems, and real power-grid datasets, we study the inherent frequencies of the oscillators as well as their coupling structure, comparing across the different models. We demonstrate, in particular, that if the network structure is not homogeneous, generators with identical parameters need to be modeled as non-identical oscillators in general. We also discuss an approach to estimate the required (dynamical) system parameters that are unavailable in typical power-grid datasets, their use for computing the constants of each of the three models, and an open-source MATLAB toolbox that we provide for these computations. (paper)

  20. The eGo grid model: An open-source and open-data based synthetic medium-voltage grid model for distribution power supply systems

    Science.gov (United States)

    Amme, J.; Pleßmann, G.; Bühler, J.; Hülk, L.; Kötter, E.; Schwaegerl, P.

    2018-02-01

    The increasing integration of renewable energy into the electricity supply system creates new challenges for distribution grids. The planning and operation of distribution systems requires appropriate grid models that consider the heterogeneity of existing grids. In this paper, we describe a novel method to generate synthetic medium-voltage (MV) grids, which we applied in our DIstribution Network GeneratOr (DINGO). DINGO is open-source software and uses freely available data. Medium-voltage grid topologies are synthesized based on location and electricity demand in defined demand areas. For this purpose, we use GIS data containing demand areas with high-resolution spatial data on physical properties, land use, energy, and demography. The grid topology is treated as a capacitated vehicle routing problem (CVRP) combined with a local search metaheuristics. We also consider the current planning principles for MV distribution networks, paying special attention to line congestion and voltage limit violations. In the modelling process, we included power flow calculations for validation. The resulting grid model datasets contain 3608 synthetic MV grids in high resolution, covering all of Germany and taking local characteristics into account. We compared the modelled networks with real network data. In terms of number of transformers and total cable length, we conclude that the method presented in this paper generates realistic grids that could be used to implement a cost-optimised electrical energy system.

  1. Development and verification of remote research environment based on 'Fusion research grid'

    International Nuclear Information System (INIS)

    Iba, Katsuyuki; Ozeki, Takahisa; Totsuka, Toshiyuki; Suzuki, Yoshio; Oshima, Takayuki; Sakata, Shinya; Sato, Minoru; Suzuki, Mitsuhiro; Hamamatsu, Kiyotaka; Kiyono, Kimihiro

    2008-01-01

    'Fusion research grid' is a concept that unites scientists and let them collaborate effectively against their difference in time zone and location in a nuclear fusion research. Fundamental technologies of 'Fusion research grid' have been developed at JAEA in the VizGrid project under the e-Japan project at the Ministry of Education, Culture, Sports, Science and Technology (MEXT). We are conscious of needs to create new systems that assist researchers with their research activities because remote collaborations have been increasing in international projects. Therefore we have developed prototype remote research environments for experiments, diagnostics, analyses and communications based on 'Fusion research grid'. All users can access these environments from anywhere because 'Fusion research grid' does not require a closed network like Super SINET to maintain security. The prototype systems were verified in experiments at JT-60U and their availability was confirmed

  2. Implications of confining force field structures in hard hadronic processes

    International Nuclear Information System (INIS)

    Bengtsson, H.-U.

    1983-04-01

    This thesis is centered on the study of confining force field structures in hard scattering processes. Perturbative QCD provides the means of calculating any process on the parton level, but to be able accurately to describe the actual outcome of an event, one still needs a phenomenological model for how quarks and gluons transform into observable hadrons. One such model is based on the assumption that the particles are produced by the confining fields stretched between the partons. The actual particle distributions will then depend on the topology of the confining fields. We have developed a Monte Carlo program to simulate complete events in hard scattering, and we use this to study the properties of the confining field in different trigger situations. We further look at the amount of hard processes that can be expected in experiments that trigger on transverse energy sum (calorimeter experiments). Finally, we investigate charm production within our model. (author)

  3. Micro-grid platform based on NODE.JS architecture, implemented in electrical network instrumentation

    Science.gov (United States)

    Duque, M.; Cando, E.; Aguinaga, A.; Llulluna, F.; Jara, N.; Moreno, T.

    2016-05-01

    In this document, I propose a theory about the impact of systems based on microgrids in non-industrialized countries that have the goal to improve energy exploitation through alternatives methods of a clean and renewable energy generation and the creation of the app to manage the behavior of the micro-grids based on the NodeJS, Django and IOJS technologies. The micro-grids allow the optimal way to manage energy flow by electric injection directly in electric network small urban's cells in a low cost and available way. In difference from conventional systems, micro-grids can communicate between them to carry energy to places that have higher demand in accurate moments. This system does not require energy storage, so, costs are lower than conventional systems like fuel cells, solar panels or else; even though micro-grids are independent systems, they are not isolated. The impact that this analysis will generate, is the improvement of the electrical network without having greater control than an intelligent network (SMART-GRID); this leads to move to a 20% increase in energy use in a specified network; that suggest there are others sources of energy generation; but for today's needs, we need to standardize methods and remain in place to support all future technologies and the best option are the Smart Grids and Micro-Grids.

  4. Improving Grid Resilience through Informed Decision-making (IGRID)

    Energy Technology Data Exchange (ETDEWEB)

    Burnham, Laurie [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Power Systems Research; Stamber, Kevin L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Systems Research, Analysis and Applications; Jeffers, Robert Fredric [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Resilience and Regulatory Effects; Stevens-Adams, Susan Marie [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Human Factors; Verzi, Stephen Joseph [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Systems Research, Analysis and Applications; Galiardi, Meghan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Systems Research, Analysis and Applications; Haass, Michael Joseph [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Cognitive Systems; Cauthen, Katherine Regina [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Systems Research, Analysis and Applications

    2016-09-01

    The transformation of the distribution grid from a centralized to decentralized architecture, with bi-directional power and data flows, is made possible by a surge in network intelligence and grid automation. While changes are largely beneficial, the interface between grid operator and automated technologies is not well understood, nor are the benefits and risks of automation. Quantifying and understanding the latter is an important facet of grid resilience that needs to be fully investigated. The work described in this document represents the first empirical study aimed at identifying and mitigating the vulnerabilities posed by automation for a grid that for the foreseeable future will remain a human-in-the-loop critical infrastructure. Our scenario-based methodology enabled us to conduct a series of experimental studies to identify causal relationships between grid-operator performance and automated technologies and to collect measurements of human performance as a function of automation. Our findings, though preliminary, suggest there are predictive patterns in the interplay between human operators and automation, patterns that can inform the rollout of distribution automation and the hiring and training of operators, and contribute in multiple and significant ways to the field of grid resilience.

  5. Simulation-Based Approach for Studying the Balancing of Local Smart Grids with Electric Vehicle Batteries

    Directory of Open Access Journals (Sweden)

    Juhani Latvakoski

    2015-07-01

    Full Text Available Modern society is facing great challenges due to pollution and increased carbon dioxide (CO2 emissions. As part of solving these challenges, the use of renewable energy sources and electric vehicles (EVs is rapidly increasing. However, increased dynamics have triggered problems in balancing energy supply and consumption demand in the power systems. The resulting uncertainty and unpredictability of energy production, consumption, and management of peak loads has caused an increase in costs for energy market actors. Therefore, the means for studying the balancing of local smart grids with EVs is a starting point for this paper. The main contribution is a simulation-based approach which was developed to enable the study of the balancing of local distribution grids with EV batteries in a cost-efficient manner. The simulation-based approach is applied to enable the execution of a distributed system with the simulation of a local distribution grid, including a number of charging stations and EVs. A simulation system has been constructed to support the simulation-based approach. The evaluation has been carried out by executing the scenario related to balancing local distribution grids with EV batteries in a step-by-step manner. The evaluation results indicate that the simulation-based approach is able to facilitate the evaluation of smart grid– and EV-related communication protocols, control algorithms for charging, and functionalities of local distribution grids as part of a complex, critical cyber-physical system. In addition, the simulation system is able to incorporate advanced methods for monitoring, controlling, tracking, and modeling behavior. The simulation model of the local distribution grid can be executed with the smart control of charging and discharging powers of the EVs according to the load situation in the local distribution grid. The resulting simulation system can be applied to the study of balancing local smart grids with EV

  6. Croatia's rural areas - renewable energy based electricity generation for isolated grids

    Directory of Open Access Journals (Sweden)

    Protic Sonja Maria

    2014-01-01

    Full Text Available Several Western Balkan states face the consequences of the Yugoslavian war, which left hometowns with dilapidated electricity grid connections, a high average age of power plant capacities and low integration of renewable energy sources, grid bottlenecks and a lack of competition. In order to supply all households with electricity, UNDP Croatia did a research on decentralized supply systems based on renewable energy sources. Decentralized supply systems offer cheaper electricity connections and provide faster support to rural development. This paper proposes a developed methodology to financially compare isolated grid solutions that primarily use renewable energies to an extension of the public electricity network to small regions in Croatia. Isolated grid supply proves to be very often a preferable option. Furthermore, it points out the lack of a reliable evaluation of non-monetizable aspects and promotes a new interdisciplinary approach.

  7. Camera Coverage Estimation Based on Multistage Grid Subdivision

    Directory of Open Access Journals (Sweden)

    Meizhen Wang

    2017-04-01

    Full Text Available Visual coverage is one of the most important quality indexes for depicting the usability of an individual camera or camera network. It is the basis for camera network deployment, placement, coverage-enhancement, planning, etc. Precision and efficiency are critical influences on applications, especially those involving several cameras. This paper proposes a new method to efficiently estimate superior camera coverage. First, the geographic area that is covered by the camera and its minimum bounding rectangle (MBR without considering obstacles is computed using the camera parameters. Second, the MBR is divided into grids using the initial grid size. The status of the four corners of each grid is estimated by a line of sight (LOS algorithm. If the camera, considering obstacles, covers a corner, the status is represented by 1, otherwise by 0. Consequently, the status of a grid can be represented by a code that is a combination of 0s or 1s. If the code is not homogeneous (not four 0s or four 1s, the grid will be divided into four sub-grids until the sub-grids are divided into a specific maximum level or their codes are homogeneous. Finally, after performing the process above, total camera coverage is estimated according to the size and status of all grids. Experimental results illustrate that the proposed method’s accuracy is determined by the method that divided the coverage area into the smallest grids at the maximum level, while its efficacy is closer to the method that divided the coverage area into the initial grids. It considers both efficiency and accuracy. The initial grid size and maximum level are two critical influences on the proposed method, which can be determined by weighing efficiency and accuracy.

  8. Geospatial Information Service System Based on GeoSOT Grid & Encoding

    Directory of Open Access Journals (Sweden)

    LI Shizhong

    2016-12-01

    Full Text Available With the rapid development of the space and earth observation technology, it is important to establish a multi-source, multi-scale and unified cross-platform reference for global data. In practice, the production and maintenance of geospatial data are scattered in different units, and the standard of the data grid varies between departments and systems. All these bring out the disunity of standards among different historical periods or orgnizations. Aiming at geospatial information security library for the national high resolution earth observation, there are some demands for global display, associated retrieval and template applications and other integrated services for geospatial data. Based on GeoSOT grid and encoding theory system, "geospatial information security library information of globally unified grid encoding management" data subdivision organization solutions have been proposed; system-level analyses, researches and designs have been carried out. The experimental results show that the data organization and management method based on GeoSOT can significantly improve the overall efficiency of the geospatial information security service system.

  9. Dusty plasmas in a constant electric field: Role of the electron drag force

    International Nuclear Information System (INIS)

    Khrapak, S.A.; Morfill, G.E.

    2004-01-01

    We investigate the forces experienced by a microparticle immersed in a weakly ionized plasma with constant electric field. These are electric force and the forces associated with the momentum transfer from electrons and ions drifting in the field (electron and ion drag forces). It is shown that the effect of the electron drag, which is often neglected, can be substantial in a certain parameter range. Numerical calculation of the forces for a reasonable set of plasma parameters is performed to illustrate the importance of this effect

  10. Project Scheduling Heuristics-Based Standard PSO for Task-Resource Assignment in Heterogeneous Grid

    OpenAIRE

    Chen, Ruey-Maw; Wang, Chuin-Mu

    2011-01-01

    The task scheduling problem has been widely studied for assigning resources to tasks in heterogeneous grid environment. Effective task scheduling is an important issue for the performance of grid computing. Meanwhile, the task scheduling problem is an NP-complete problem. Hence, this investigation introduces a named “standard“ particle swarm optimization (PSO) metaheuristic approach to efficiently solve the task scheduling problems in grid. Meanwhile, two promising heuristics based on multimo...

  11. Intelligent Control of Micro Grid: A Big Data-Based Control Center

    Science.gov (United States)

    Liu, Lu; Wang, Yanping; Liu, Li; Wang, Zhiseng

    2018-01-01

    In this paper, a structure of micro grid system with big data-based control center is introduced. Energy data from distributed generation, storage and load are analized through the control center, and from the results new trends will be predicted and applied as a feedback to optimize the control. Therefore, each step proceeded in micro grid can be adjusted and orgnized in a form of comprehensive management. A framework of real-time data collection, data processing and data analysis will be proposed by employing big data technology. Consequently, a integrated distributed generation and a optimized energy storage and transmission process can be implemented in the micro grid system.

  12. A roadmap for caGrid, an enterprise Grid architecture for biomedical research.

    Science.gov (United States)

    Saltz, Joel; Hastings, Shannon; Langella, Stephen; Oster, Scott; Kurc, Tahsin; Payne, Philip; Ferreira, Renato; Plale, Beth; Goble, Carole; Ervin, David; Sharma, Ashish; Pan, Tony; Permar, Justin; Brezany, Peter; Siebenlist, Frank; Madduri, Ravi; Foster, Ian; Shanbhag, Krishnakant; Mead, Charlie; Chue Hong, Neil

    2008-01-01

    caGrid is a middleware system which combines the Grid computing, the service oriented architecture, and the model driven architecture paradigms to support development of interoperable data and analytical resources and federation of such resources in a Grid environment. The functionality provided by caGrid is an essential and integral component of the cancer Biomedical Informatics Grid (caBIG) program. This program is established by the National Cancer Institute as a nationwide effort to develop enabling informatics technologies for collaborative, multi-institutional biomedical research with the overarching goal of accelerating translational cancer research. Although the main application domain for caGrid is cancer research, the infrastructure provides a generic framework that can be employed in other biomedical research and healthcare domains. The development of caGrid is an ongoing effort, adding new functionality and improvements based on feedback and use cases from the community. This paper provides an overview of potential future architecture and tooling directions and areas of improvement for caGrid and caGrid-like systems. This summary is based on discussions at a roadmap workshop held in February with participants from biomedical research, Grid computing, and high performance computing communities.

  13. Asymmetrical Grid Fault Ride-Through Strategy of Three-phase Grid-connected Inverter Considering Network Impedance Impact in Low Voltage Grid

    DEFF Research Database (Denmark)

    Guo, Xiaoqiang; Zhang, Xue; Wang, Baocheng

    2014-01-01

    This letter presents a new control strategy of threephase grid-connected inverter for the positive sequence voltage recovery and negative sequence voltage reduction under asymmetrical grid faults. Unlike the conventional control strategy based on an assumption that the network impedance is mainly...... of the proposed solution for the flexible voltage support in a low-voltage grid, where thenetwork impedance is mainly resistive.......This letter presents a new control strategy of threephase grid-connected inverter for the positive sequence voltage recovery and negative sequence voltage reduction under asymmetrical grid faults. Unlike the conventional control strategy based on an assumption that the network impedance is mainly...... inductive, the proposed control strategy is more flexible and effective by considering the network impedance impact, which is of great importance for the high penetration of grid-connected renewable energy systems into low-voltage grids. The experimental tests are carried out to validate the effectiveness...

  14. Photovoltaic Grid-Connected Modeling and Characterization Based on Experimental Results.

    Science.gov (United States)

    Humada, Ali M; Hojabri, Mojgan; Sulaiman, Mohd Herwan Bin; Hamada, Hussein M; Ahmed, Mushtaq N

    2016-01-01

    A grid-connected photovoltaic (PV) system operates under fluctuated weather condition has been modeled and characterized based on specific test bed. A mathematical model of a small-scale PV system has been developed mainly for residential usage, and the potential results have been simulated. The proposed PV model based on three PV parameters, which are the photocurrent, IL, the reverse diode saturation current, Io, the ideality factor of diode, n. Accuracy of the proposed model and its parameters evaluated based on different benchmarks. The results showed that the proposed model fitting the experimental results with high accuracy compare to the other models, as well as the I-V characteristic curve. The results of this study can be considered valuable in terms of the installation of a grid-connected PV system in fluctuated climatic conditions.

  15. Combining Market-Based Control with Distribution Grid Constraints when Coordinating Electric Vehicle Charging

    Directory of Open Access Journals (Sweden)

    Geert Deconinck

    2015-12-01

    Full Text Available The charging of electric vehicles (EVs impacts the distribution grid, and its cost depends on the price of electricity when charging. An aggregator that is responsible for a large fleet of EVs can use a market-based control algorithm to coordinate the charging of these vehicles, in order to minimize the costs. In such an optimization, the operational parameters of the distribution grid, to which the EVs are connected, are not considered. This can lead to violations of the technical constraints of the grid (e.g., under-voltage, phase unbalances; for example, because many vehicles start charging simultaneously when the price is low. An optimization that simultaneously takes the economic and technical aspects into account is complex, because it has to combine time-driven control at the market level with event-driven control at the operational level. Different case studies investigate under which circumstances the market-based control, which coordinates EV charging, conflicts with the operational constraints of the distribution grid. Especially in weak grids, phase unbalance and voltage issues arise with a high share of EVs. A low-level voltage droop controller at the charging point of the EV can be used to avoid many grid constraint violations, by reducing the charge power if the local voltage is too low. While this action implies a deviation from the cost-optimal operating point, it is shown that this has a very limited impact on the business case of an aggregator, and is able to comply with the technical distribution grid constraints, even in weak distribution grids with many EVs.

  16. Enhancing the Role of Electric Vehicles in the Power Grid: Field Validation of Multiple Ancillary Services

    DEFF Research Database (Denmark)

    Knezovic, Katarina; Martinenas, Sergejus; Andersen, Peter Bach

    2016-01-01

    essentially means it is applicable to any EV complying with IEC 61851 and SAE J1772 standards. The field test validation is conducted in a real Danish distribution grid with a Nissan Leaf providing three ancillary services through unidirectional AC charging, namely congestion management, local voltage support...

  17. ONIX results: Comparison of grid geometry (BATMAN - ELISE - flat grid)

    Science.gov (United States)

    Revel, Adrien; Mochalskyy, Serhiy; Wünderlich, Dirk; Fantz, Ursel; Minea, Tiberiu

    2017-08-01

    The 3D PIC-MCC code ONIX is dedicated to the modelling of negative hydrogen or deuterium ion extraction and the co-extracted electrons from the plasma in radio-frequency driven sources. The extraction process highly depends on the plasma characteristics close to the plasma grid where it is difficult to obtain experimental data. ONIX brings valuable insights on the plasma behavior in this area. In the code, the numerical treatment of the boundaries have been improved in order to describe with more accuracy the potential and the electric field in this vicinity. The computation time has been reduced by a factor of 2 and the parallelization efficiency has been highly improved. The influence of the magnetic field in BATMAN on the plasma behaviour has been investigated by comparing two different configurations of the magnet bars producing the filter field (internal magnets: x = 3 cm; external magnets: x = 9 cm). A flat grid geometry for the PG instead of the usual conical grid geometry has been studied to evaluate its impact on the extracted current, especially for the negative ions emitted from the surface of the PG. Finally, the ONIX code has been used for the first 3D PIC calculations ever performed for the ELISE experiment.

  18. An adaptive multi-agent-based approach to smart grids control and optimization

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Marco [Florida Institute of Technology, Melbourne, FL (United States); Perez, Carlos; Granados, Adrian [Institute for Human and Machine Cognition, Ocala, FL (United States)

    2012-03-15

    In this paper, we describe a reinforcement learning-based approach to power management in smart grids. The scenarios we consider are smart grid settings where renewable power sources (e.g. Photovoltaic panels) have unpredictable variations in power output due, for example, to weather or cloud transient effects. Our approach builds on a multi-agent system (MAS)-based infrastructure for the monitoring and coordination of smart grid environments with renewable power sources and configurable energy storage devices (battery banks). Software agents are responsible for tracking and reporting power flow variations at different points in the grid, and to optimally coordinate the engagement of battery banks (i.e. charge/idle/discharge modes) to maintain energy requirements to end-users. Agents are able to share information and coordinate control actions through a parallel communications infrastructure, and are also capable of learning, from experience, how to improve their response strategies for different operational conditions. In this paper we describe our approach and address some of the challenges associated with the communications infrastructure for distributed coordination. We also present some preliminary results of our first simulations using the GridLAB-D simulation environment, created by the US Department of Energy (DoE) at Pacific Northwest National Laboratory (PNNL). (orig.)

  19. A Study on Cell Size of Irradiated Spacer Grid for PWR Fuel

    International Nuclear Information System (INIS)

    Jin, Y. G.; Kim, G. S.; Ryu, W. S. and others

    2014-01-01

    The spacer grids supporting the fuel rods absorb vibration impacts due to the reactor coolant flow, and grid spring force decreases under irradiation. This reduction of contact force might cause grid-to-rod fretting wear. The fretting failure of the fuel rod is one of the recent significant issues in the nuclear industry from an economical as well as a safety concern. Thus, it is important to understand the characteristics of cell spring behavior and the change in size of grid cells for an irradiated spacer grid. In the present study, the dimensional measurement of a spacer grid was conducted to investigate the cell size of an irradiated spacer grid in a hot cell at IMEF (Irradiated Materials Examination Facility) of KAERI. To evaluate the fretting wear performance of an irradiated spacer grid, hot cell tests were carried out at IMEF of KAERI. Hot cell examinations include dimensional measurements for the irradiated spacer grid. The change of cell sizes was dependent on the direction of the spacer grids, leading to significant gap variations. It was found that the change in size of the cell springs due to irradiation-induced stress relaxation and creep during the fuel residency in the reactor core affect the contact behavior between the fuel rod and the cell spring

  20. Wireless Sensor Network Based Smart Grid Communications: Cyber Attacks, Intrusion Detection System and Topology Control

    Directory of Open Access Journals (Sweden)

    Lipi Chhaya

    2017-01-01

    Full Text Available The existing power grid is going through a massive transformation. Smart grid technology is a radical approach for improvisation in prevailing power grid. Integration of electrical and communication infrastructure is inevitable for the deployment of Smart grid network. Smart grid technology is characterized by full duplex communication, automatic metering infrastructure, renewable energy integration, distribution automation and complete monitoring and control of entire power grid. Wireless sensor networks (WSNs are small micro electrical mechanical systems that are deployed to collect and communicate the data from surroundings. WSNs can be used for monitoring and control of smart grid assets. Security of wireless sensor based communication network is a major concern for researchers and developers. The limited processing capabilities of wireless sensor networks make them more vulnerable to cyber-attacks. The countermeasures against cyber-attacks must be less complex with an ability to offer confidentiality, data readiness and integrity. The address oriented design and development approach for usual communication network requires a paradigm shift to design data oriented WSN architecture. WSN security is an inevitable part of smart grid cyber security. This paper is expected to serve as a comprehensive assessment and analysis of communication standards, cyber security issues and solutions for WSN based smart grid infrastructure.

  1. High density grids

    Energy Technology Data Exchange (ETDEWEB)

    Cohen, Aina E.; Baxter, Elizabeth L.

    2018-01-16

    An X-ray data collection grid device is provided that includes a magnetic base that is compatible with robotic sample mounting systems used at synchrotron beamlines, a grid element fixedly attached to the magnetic base, where the grid element includes at least one sealable sample window disposed through a planar synchrotron-compatible material, where the planar synchrotron-compatible material includes at least one automated X-ray positioning and fluid handling robot fiducial mark.

  2. GSIMF: a web service based software and database management system for the next generation grids

    International Nuclear Information System (INIS)

    Wang, N; Ananthan, B; Gieraltowski, G; May, E; Vaniachine, A

    2008-01-01

    To process the vast amount of data from high energy physics experiments, physicists rely on Computational and Data Grids; yet, the distribution, installation, and updating of a myriad of different versions of different programs over the Grid environment is complicated, time-consuming, and error-prone. Our Grid Software Installation Management Framework (GSIMF) is a set of Grid Services that has been developed for managing versioned and interdependent software applications and file-based databases over the Grid infrastructure. This set of Grid services provide a mechanism to install software packages on distributed Grid computing elements, thus automating the software and database installation management process on behalf of the users. This enables users to remotely install programs and tap into the computing power provided by Grids

  3. Mini-grid based off-grid electrification to enhance electricity access in developing countries: What policies may be required?

    International Nuclear Information System (INIS)

    Bhattacharyya, Subhes C.; Palit, Debajit

    2016-01-01

    With 1.2 billion people still lacking electricity access by 2013, electricity access remains a major global challenge. Although mini-grid based electrification has received attention in recent times, their full exploitation requires policy support covering a range of areas. Distilling the experience from a five year research project, OASYS South Asia, this paper presents the summary of research findings and shares the experience from four demonstration activities. It suggests that cost-effective universal electricity service remains a challenge and reaching the universal electrification target by 2030 will remain a challenge for the less developed countries. The financial, organisational and governance weaknesses hinder successful implementation of projects in many countries. The paper then provides 10 policy recommendations to promote mini-grids as a complementary route to grid extension to promote electricity access for successful outcomes. - Highlights: •The academic and action research activities undertaken through OASYS South Asia Project are reported. •Evidence produced through a multi-dimensional participatory framework supplemented by four demonstration projects. •Funding and regulatory challenges militate against universal electrification objectives by 2030. •Innovative business approaches linking local mini-grids and livelihood opportunities exist. •Enabling policies are suggested to exploit such options.

  4. Combining an Elastic Network With a Coarse-Grained Molecular Force Field : Structure, Dynamics, and Intermolecular Recognition

    NARCIS (Netherlands)

    Periole, Xavier; Cavalli, Marco; Marrink, Siewert-Jan; Ceruso, Marco A.

    Structure-based and physics-based coarse-grained molecular force fields have become attractive approaches to gain mechanistic insight into the function of large biomolecular assemblies. Here, we study how both approaches can be combined into a single representation, that we term ELNEDIN. In this

  5. Trusted data management for Grid-based medical applications

    NARCIS (Netherlands)

    van 't Noordende, G.J.; Olabarriaga, S.D.; Koot, M.R.; de Laat, C.T.A.M.; Udoh, E.

    2011-01-01

    Existing Grid technology has been foremost designed with performance and scalability in mind. When using Grid infrastructure for medical applications, privacy and security considerations become paramount. Privacy aspects require a re-thinking of the design and implementation of common Grid

  6. A Stationary Reference Frame Grid Synchronization System for Three-Phase Grid-Connected Power Converters Under Adverse Grid Conditions

    DEFF Research Database (Denmark)

    Rodríguez, P.; Luna, A.; Muñoz-Aguilar, R. S.

    2012-01-01

    synchronization method for three-phase three-wire networks, namely dual second-order generalized integrator (SOGI) frequency-locked loop. The method is based on two adaptive filters, implemented by using a SOGI on the stationary αβ reference frame, and it is able to perform an excellent estimation......Grid synchronization algorithms are of great importance in the control of grid-connected power converters, as fast and accurate detection of the grid voltage parameters is crucial in order to implement stable control strategies under generic grid conditions. This paper presents a new grid...

  7. Optimal Control of Micro Grid Operation Mode Seamless Switching Based on Radau Allocation Method

    Science.gov (United States)

    Chen, Xiaomin; Wang, Gang

    2017-05-01

    The seamless switching process of micro grid operation mode directly affects the safety and stability of its operation. According to the switching process from island mode to grid-connected mode of micro grid, we establish a dynamic optimization model based on two grid-connected inverters. We use Radau allocation method to discretize the model, and use Newton iteration method to obtain the optimal solution. Finally, we implement the optimization mode in MATLAB and get the optimal control trajectory of the inverters.

  8. MODELING MAGNETIC FIELD STRUCTURE OF A SOLAR ACTIVE REGION CORONA USING NONLINEAR FORCE-FREE FIELDS IN SPHERICAL GEOMETRY

    International Nuclear Information System (INIS)

    Guo, Y.; Ding, M. D.; Liu, Y.; Sun, X. D.; DeRosa, M. L.; Wiegelmann, T.

    2012-01-01

    We test a nonlinear force-free field (NLFFF) optimization code in spherical geometry using an analytical solution from Low and Lou. Several tests are run, ranging from idealized cases where exact vector field data are provided on all boundaries, to cases where noisy vector data are provided on only the lower boundary (approximating the solar problem). Analytical tests also show that the NLFFF code in the spherical geometry performs better than that in the Cartesian one when the field of view of the bottom boundary is large, say, 20° × 20°. Additionally, we apply the NLFFF model to an active region observed by the Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory (SDO) both before and after an M8.7 flare. For each observation time, we initialize the models using potential field source surface (PFSS) extrapolations based on either a synoptic chart or a flux-dispersal model, and compare the resulting NLFFF models. The results show that NLFFF extrapolations using the flux-dispersal model as the boundary condition have slightly lower, therefore better, force-free, and divergence-free metrics, and contain larger free magnetic energy. By comparing the extrapolated magnetic field lines with the extreme ultraviolet (EUV) observations by the Atmospheric Imaging Assembly on board SDO, we find that the NLFFF performs better than the PFSS not only for the core field of the flare productive region, but also for large EUV loops higher than 50 Mm.

  9. Van der Waals Forces and Photon-Less Effective Field Theory

    International Nuclear Information System (INIS)

    Arriola, E.R.

    2011-01-01

    In the ultra-cold regime Van der Waals forces between neutral atoms can be represented by short range effective interactions. We show that universal low energy scaling features of the underlying vdW long range force stemming from two photon exchange impose restrictions on an Effective Field Theory without explicit photons. The role of naively redundant operators, relevant to the definition of three body forces, is also analyzed. (author)

  10. Interior point algorithm-based power flow optimisation of a combined AC and DC multi-terminal grid

    Directory of Open Access Journals (Sweden)

    Farhan Beg

    2015-01-01

    Full Text Available The high cost of power electronic equipment, lower reliability and poor power handling capacity of the semiconductor devices had stalled the deployment of systems based on DC (multi-terminal direct current system (MTDC networks. The introduction of voltage source converters (VSCs for transmission has renewed the interest in the development of large interconnected grids based on both alternate current (AC and DC transmission networks. Such a grid platform also realises the added advantage of integrating the renewable energy sources into the grid. Thus a grid based on DC MTDC network is a possible solution to improve energy security and check the increasing supply demand gap. An optimal power solution for combined AC and DC grids obtained by the solution of the interior point algorithm is proposed in this study. Multi-terminal HVDC grids lie at the heart of various suggested transmission capacity increases. A significant difference is observed when MTDC grids are solved for power flows in place of conventional AC grids. This study deals with the power flow problem of a combined MTDC and an AC grid. The AC side is modelled with the full power flow equations and the VSCs are modelled using a connecting line, two generators and an AC node. The VSC and the DC losses are also considered. The optimisation focuses on several different goals. Three different scenarios are presented in an arbitrary grid network with ten AC nodes and five converter stations.

  11. Modular Multilevel Converters Based Variable Speed Wind Turbines for Grid Faults

    DEFF Research Database (Denmark)

    Deng, Fujin; Liu, Dong; Wang, Yanbo

    2016-01-01

    in the dc-link of the power converter to improve system performance, but also ensure the grid-side current balancing to increase the generated power of the wind turbine under the unbalanced grid fault, in comparison with the conventional VSWT based on BTB three-level NPC converters. The simulation studies......The modular multilevel converter (MMC) becomes attractive in the medium- and high-power application with high modularity. In this paper, the MMC is proposed to be applied in the variable speed wind turbine (VSWT) based on the full-scale back-to-back (BTB) power converter, where the generator...

  12. Forced Ignition Study Based On Wavelet Method

    Science.gov (United States)

    Martelli, E.; Valorani, M.; Paolucci, S.; Zikoski, Z.

    2011-05-01

    The control of ignition in a rocket engine is a critical problem for combustion chamber design. Therefore it is essential to fully understand the mechanism of ignition during its earliest stages. In this paper the characteristics of flame kernel formation and initial propagation in a hydrogen-argon-oxygen mixing layer are studied using 2D direct numerical simulations with detailed chemistry and transport properties. The flame kernel is initiated by adding an energy deposition source term in the energy equation. The effect of unsteady strain rate is studied by imposing a 2D turbulence velocity field, which is initialized by means of a synthetic field. An adaptive wavelet method, based on interpolating wavelets is used in this study to solve the compressible reactive Navier- Stokes equations. This method provides an alternative means to refine the computational grid points according to local demands of the physical solution. The present simulations show that in the very early instants the kernel perturbed by the turbulent field is characterized by an increased burning area and a slightly increased rad- ical formation. In addition, the calculations show that the wavelet technique yields a significant reduction in the number of degrees of freedom necessary to achieve a pre- scribed solution accuracy.

  13. TET Offensive II Field Force Vietnam After Action Report 31 January - 18 February 1968

    Science.gov (United States)

    1968-03-01

    and the 5th VC Division. V During this same period of time there were no majur shifts in ARVN forces . However III Corps shifted three...8217-".•: ’ ’SSIFJED U.S. ARMY. VIETNAM. II FIELD FORCE . TET OFFENSIVE II FIELD FORCE VIETNAM AFTER ACTION REPORT, 31 JANUARY-18 FEB- RUARY 1968...H FIELD FORCE VIETNAM AFTER ACTION REPORT 31 January-18 February 1968 RECORD K0- ! FlSjl fi-.-A-,>-•: it tT*\\ : *si h s» -wP Mr-, £< St

  14. Intelligent Demand Side Management within production systems. Towards Industrial Smart Grids; Intelligente Lastverschiebung in der Produktionstechnik. Ein Weg zum Industrial Smart Grid

    Energy Technology Data Exchange (ETDEWEB)

    Schriegel, Sebastian; Pethig, Florian; Jasperneite, Juergen [Fraunhofer-Anwendungszentrum Industrial Automation (IOSB-INA), Lemgo (Germany)

    2012-07-01

    Demand Side Management is a key technology of smart grids. Consumers adjust their energy consumption at current time-volatile energy generation capacity. The currently used energy consumption optimizations, such as the use of energy efficient actuators, pause functions and peak load management should be supplemented by a dynamic real-time energy management. For industrial consumers, such an energy management may be established at various levels of the automation pyramid. On plant level energy optimization is based on predictions, on control and field level optimization is based on process variables. The taxonomy of potential energy optimization differentiates between organizational, synchronization and single parameter optimization. This potential can be exploited with intelligent control technology based on qualified process models and tunable control programs. An Industrial Smart Grid results by interlinking the former mentioned intelligent control technologies with the plant infrastructure and thereby provides an optimal energy consumption behavior and a perfect integration into and interaction with the smart grid. (orig.)

  15. Grid regulation services for energy storage devices based on grid frequency

    Energy Technology Data Exchange (ETDEWEB)

    Pratt, Richard M.; Hammerstrom, Donald J.; Kintner-Meyer, Michael C. W.; Tuffner, Francis K.

    2017-09-05

    Disclosed herein are representative embodiments of methods, apparatus, and systems for charging and discharging an energy storage device connected to an electrical power distribution system. In one exemplary embodiment, a controller monitors electrical characteristics of an electrical power distribution system and provides an output to a bi-directional charger causing the charger to charge or discharge an energy storage device (e.g., a battery in a plug-in hybrid electric vehicle (PHEV)). The controller can help stabilize the electrical power distribution system by increasing the charging rate when there is excess power in the electrical power distribution system (e.g., when the frequency of an AC power grid exceeds an average value), or by discharging power from the energy storage device to stabilize the grid when there is a shortage of power in the electrical power distribution system (e.g., when the frequency of an AC power grid is below an average value).

  16. Grid regulation services for energy storage devices based on grid frequency

    Science.gov (United States)

    Pratt, Richard M; Hammerstrom, Donald J; Kintner-Meyer, Michael C.W.; Tuffner, Francis K

    2013-07-02

    Disclosed herein are representative embodiments of methods, apparatus, and systems for charging and discharging an energy storage device connected to an electrical power distribution system. In one exemplary embodiment, a controller monitors electrical characteristics of an electrical power distribution system and provides an output to a bi-directional charger causing the charger to charge or discharge an energy storage device (e.g., a battery in a plug-in hybrid electric vehicle (PHEV)). The controller can help stabilize the electrical power distribution system by increasing the charging rate when there is excess power in the electrical power distribution system (e.g., when the frequency of an AC power grid exceeds an average value), or by discharging power from the energy storage device to stabilize the grid when there is a shortage of power in the electrical power distribution system (e.g., when the frequency of an AC power grid is below an average value).

  17. The GridShare solution: a smart grid approach to improve service provision on a renewable energy mini-grid in Bhutan

    International Nuclear Information System (INIS)

    Quetchenbach, T G; Harper, M J; Jacobson, A E; Robinson IV, J; Hervin, K K; Chase, N A; Dorji, C

    2013-01-01

    This letter reports on the design and pilot installation of GridShares, devices intended to alleviate brownouts caused by peak power use on isolated, village-scale mini-grids. A team consisting of the authors and partner organizations designed, built and field-tested GridShares in the village of Rukubji, Bhutan. The GridShare takes an innovative approach to reducing brownouts by using a low cost device that communicates the state of the grid to its users and regulates usage before severe brownouts occur. This demand-side solution encourages users to distribute the use of large appliances more evenly throughout the day, allowing power-limited systems to provide reliable, long-term renewable electricity to these communities. In the summer of 2011, GridShares were installed in every household and business connected to the Rukubji micro-hydro mini-grid, which serves approximately 90 households with a 40 kW nominal capacity micro-hydro system. The installation was accompanied by an extensive education program. Following the installation of the GridShares, the occurrence and average length of severe brownouts, which had been caused primarily by the use of electric cooking appliances during meal preparation, decreased by over 92%. Additionally, the majority of residents surveyed stated that now they are more certain that their rice will cook well and that they would recommend installing GridShares in other villages facing similar problems. (letter)

  18. The biometric-based module of smart grid system

    Science.gov (United States)

    Engel, E.; Kovalev, I. V.; Ermoshkina, A.

    2015-10-01

    Within Smart Grid concept the flexible biometric-based module base on Principal Component Analysis (PCA) and selective Neural Network is developed. The formation of the selective Neural Network the biometric-based module uses the method which includes three main stages: preliminary processing of the image, face localization and face recognition. Experiments on the Yale face database show that (i) selective Neural Network exhibits promising classification capability for face detection, recognition problems; and (ii) the proposed biometric-based module achieves near real-time face detection, recognition speed and the competitive performance, as compared to some existing subspaces-based methods.

  19. Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant.

    Science.gov (United States)

    Caleman, Carl; van Maaren, Paul J; Hong, Minyan; Hub, Jochen S; Costa, Luciano T; van der Spoel, David

    2012-01-10

    The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and hence there is no a priori reason why a molecular mechanics force field could not describe both organic liquids and biomolecules with a single parameter set. Here, we devise a benchmark for force fields in order to test the ability of existing force fields to reproduce some key properties of organic liquids, namely, the density, enthalpy of vaporization, the surface tension, the heat capacity at constant volume and pressure, the isothermal compressibility, the volumetric expansion coefficient, and the static dielectric constant. Well over 1200 experimental measurements were used for comparison to the simulations of 146 organic liquids. Novel polynomial interpolations of the dielectric constant (32 molecules), heat capacity at constant pressure (three molecules), and the isothermal compressibility (53 molecules) as a function of the temperature have been made, based on experimental data, in order to be able to compare simulation results to them. To compute the heat capacities, we applied the two phase thermodynamics method (Lin et al. J. Chem. Phys.2003, 119, 11792), which allows one to compute thermodynamic properties on the basis of the density of states as derived from the velocity autocorrelation function. The method is implemented in a new utility within the GROMACS molecular simulation package, named g_dos, and a detailed exposé of the underlying equations is presented. The purpose of this work is to establish the state of the art of two popular force fields, OPLS/AA (all-atom optimized potential for liquid simulation) and GAFF (generalized Amber force field), to find common bottlenecks, i.e., particularly difficult molecules, and to serve as a reference point for future force field development. To make for a fair playing field, all molecules were evaluated with the same parameter settings, such as thermostats and barostats

  20. Degenerate Quadtree Latitude/Longitude Grid Based on WGS-84 Ellipsoidal Facet

    Directory of Open Access Journals (Sweden)

    HU Bailin

    2016-12-01

    Full Text Available For the needs of digital earth development and solving many global problems, a new discrete global grid system-DQLLG (degenerate quadtree latitude/longitude grid was put forward, which was based on WGS-84 ellipsoidal facet. The hierarchical subdivision method, characteristics and grid column/row coordinate system were detailed. The Latitude/Longitude coordinate, area and side length of multi-resolution meshes on different subdivision levels were calculated. Then the changes of mesh areas and side lengths were analyzed and compared that with spherical DQLLG. The research indicates that the DQLLG had many excellent features:uniformity, hierarchy, consistency of direction, extensive data compatibility and so on. It has certain practicality for Global GIS in the future.

  1. Towards Agent-Based Model Specification in Smart Grid: A Cognitive Agent-based Computing Approach

    OpenAIRE

    Akram, Waseem; Niazi, Muaz A.; Iantovics, Laszlo Barna

    2017-01-01

    A smart grid can be considered as a complex network where each node represents a generation unit or a consumer. Whereas links can be used to represent transmission lines. One way to study complex systems is by using the agent-based modeling (ABM) paradigm. An ABM is a way of representing a complex system of autonomous agents interacting with each other. Previously, a number of studies have been presented in the smart grid domain making use of the ABM paradigm. However, to the best of our know...

  2. Calculation approaches for grid usage fees to influence the load curve in the distribution grid level; Berechnungsansaetze fuer Netznutzungsentgelte zur Beeinflussung des Lastverlaufs in der Verteilernetzebene

    Energy Technology Data Exchange (ETDEWEB)

    Illing, Bjoern

    2014-09-08

    Dominated by the energy policy the decentralized German energy market is changing. One mature target of the government is to increase the contribution of renewable generation to the gross electricity consumption. In order to achieve this target disadvantages like an increased need for capacity management occurs. Load reduction and variable grid fees offer the grid operator solutions to realize capacity management by influencing the load profile. The evolution of the current grid fees towards more causality is required to adapt these approaches. Two calculation approaches are developed in this assignment. On the one hand multivariable grid fees keeping the current components demand and energy charge. Additional to the grid costs grid load dependent parameters like the amount of decentralized feed-ins, time and local circumstances as well as grid capacities are considered. On the other hand the grid fee flat-rate which represents a demand based model on a monthly level. Both approaches are designed to meet the criteria for future grid fees. By means of a case study the effects of the grid fees on the load profile at the low voltage grid is simulated. Thereby the consumption is represented by different behaviour models and the results are scaled at the benchmark grid area. The resulting load curve is analyzed concerning the effects of peak load reduction as well as the integration of renewable energy sources. Additionally the combined effect of grid fees and electricity tariffs is evaluated. Finally the work discusses the launching of grid fees in the tense atmosphere of politics, legislation and grid operation. Results of this work are two calculation approaches designed for grid operators to define the grid fees. Multivariable grid fees are based on the current calculation scheme. Hereby demand and energy charges are weighted by time, locational and load related dependencies. The grid fee flat-rate defines a limitation in demand extraction. Different demand levels

  3. Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data.

    Science.gov (United States)

    Barone, Vincenzo; Cacelli, Ivo; De Mitri, Nicola; Licari, Daniele; Monti, Susanna; Prampolini, Giacomo

    2013-03-21

    The Joyce program is augmented with several new features, including the user friendly Ulysses GUI, the possibility of complete excited state parameterization and a more flexible treatment of the force field electrostatic terms. A first validation is achieved by successfully comparing results obtained with Joyce2.0 to literature ones, obtained for the same set of benchmark molecules. The parameterization protocol is also applied to two other larger molecules, namely nicotine and a coumarin based dye. In the former case, the parameterized force field is employed in molecular dynamics simulations of solvated nicotine, and the solute conformational distribution at room temperature is discussed. Force fields parameterized with Joyce2.0, for both the dye's ground and first excited electronic states, are validated through the calculation of absorption and emission vertical energies with molecular mechanics optimized structures. Finally, the newly implemented procedure to handle polarizable force fields is discussed and applied to the pyrimidine molecule as a test case.

  4. Radiation reaction force and unification of electromagnetic and gravitational fields

    International Nuclear Information System (INIS)

    Lo, C.Y.; Goldstein, G.R.; Napier, A.

    1981-04-01

    A unified theory of electromagnetic and gravitational fields should modify classical electrodynamics such that the radiation reaction force is accounted for. The analysis leads to a five-dimensional unified theory of five variables. The theory is supported by showing that, for the case of a charged particle moving in a constant magnetic field, the radiation reaction force is indeed included. Moreover, this example shows explicitly that physical changes are associated with the fifth variable. Thus, the notion of a physical five-dimensional space should be seriously taken into consideration

  5. Photovoltaic Grid-Connected Modeling and Characterization Based on Experimental Results

    Science.gov (United States)

    Humada, Ali M.; Hojabri, Mojgan; Sulaiman, Mohd Herwan Bin; Hamada, Hussein M.; Ahmed, Mushtaq N.

    2016-01-01

    A grid-connected photovoltaic (PV) system operates under fluctuated weather condition has been modeled and characterized based on specific test bed. A mathematical model of a small-scale PV system has been developed mainly for residential usage, and the potential results have been simulated. The proposed PV model based on three PV parameters, which are the photocurrent, IL, the reverse diode saturation current, Io, the ideality factor of diode, n. Accuracy of the proposed model and its parameters evaluated based on different benchmarks. The results showed that the proposed model fitting the experimental results with high accuracy compare to the other models, as well as the I-V characteristic curve. The results of this study can be considered valuable in terms of the installation of a grid-connected PV system in fluctuated climatic conditions. PMID:27035575

  6. NTEGRAL: ICT-platform based Distributed Control in electricity grids with a large share of Distributed Energy Resources and Renewable Energy Sources

    OpenAIRE

    Peppink , G.; Kamphuis , R.; Kok , K.; Dimeas , A.; Karfopoulos , E.; Hatziargyriou , Nikos D.; Hadjsaid , Nouredine; Caire , Raphaël; Gustavsson , René; Salas , Josep M.; Niesing , Hugo; Van Der Velde , J.; Tena , Llani; Bliek , Frits; Eijgelaar , Marcel

    2010-01-01

    International audience; The European project INTEGRAL aims to build and demonstrate an industry-quality reference solution for DER aggregation-level control and coordination, based on commonly available ICT components, standards, and platforms. To achieve this, the Integrated ICT-platform based Distributed Control (IIDC) is introduced. The project includes also three field test site installations in the Netherlands, Spain and France, covering normal, critical and emergency grid conditions.

  7. Field Experience with and Potential for Multi-time Scale Grid Transactions from Responsive Commercial Buildings

    Energy Technology Data Exchange (ETDEWEB)

    Piette, Mary Ann; Kiliccote, Sila; Ghatikar, Girish

    2014-08-01

    The need for and concepts behind demand response are evolving. As the electric system changes with more intermittent renewable electric supply systems, there is a need to allow buildings to provide more flexible demand. This paper presents results from field studies and pilots, as well as engineering estimates of the potential capabilities of fast load responsiveness in commercial buildings. We present a sector wide analysis of flexible loads in commercial buildings, which was conducted to improve resource planning and determine which loads to evaluate in future demonstrations. These systems provide important capabilities for future transactional systems. The field analysis is based on results from California, plus projects in the northwest and east coast. End-uses considered include heating, ventilation, air conditioning and lighting. The timescales of control include day-ahead, as well as day-of, 10-minute ahead and even faster response. This technology can provide DR signals on different times scales to interact with responsive building loads. We describe the latency of the control systems in the building and the round trip communications with the wholesale grid operators.

  8. A multi-agent based distributed energy management scheme for smart grid applications

    International Nuclear Information System (INIS)

    Radhakrishnan, Bharat Menon; Srinivasan, Dipti

    2016-01-01

    A multi-agent system based distributed EMS (energy management system) is proposed in this paper to perform optimal energy allocation and management for grids comprising of renewables, storage and distributed generation. The reliable and efficient operation of smart grids is slackened due to the presence of intermittent renewables. As the load demand and renewables are uncertain throughout the day, an energy management system is essential to ensure grid stability and achieve reductions in operation costs and CO_2 emissions. The main objectives of the proposed algorithm is to maintain power balance in the system and to ensure long cycle life for storage units by controlling their SOC (state of charge). The proposed EMS scheme is tested and validated on a practical test system, which replicates a small-scale smart grid with a variety of distributed sources, storage devices, loads, power electronic converters, and SCADA (supervisory control and data acquisition) system. This system is also connected to the utility grid and the power exchange is controlled with the help of a battery system through a fuzzy based decision-making framework. The proposed algorithm is also extensively verified and tested using a series of sensitivity analyses and benchmarking with existing algorithms. - Highlights: • An agent-based decentralized algorithm is proposed to perform energy management. • The multi-agent system approach eliminates the possibility of single point failures. • Adaptive fuzzy systems make the decision making more reliable, flexible and robust. • The algorithm is extensively tested and validated using sensitivity and verification analyses.

  9. Secondary Structure of Rat and Human Amylin across Force Fields.

    Directory of Open Access Journals (Sweden)

    Kyle Quynn Hoffmann

    Full Text Available The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin was determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient

  10. Elliptic Curve Cryptography-Based Authentication with Identity Protection for Smart Grids.

    Directory of Open Access Journals (Sweden)

    Liping Zhang

    Full Text Available In a smart grid, the power service provider enables the expected power generation amount to be measured according to current power consumption, thus stabilizing the power system. However, the data transmitted over smart grids are not protected, and then suffer from several types of security threats and attacks. Thus, a robust and efficient authentication protocol should be provided to strength the security of smart grid networks. As the Supervisory Control and Data Acquisition system provides the security protection between the control center and substations in most smart grid environments, we focus on how to secure the communications between the substations and smart appliances. Existing security approaches fail to address the performance-security balance. In this study, we suggest a mitigation authentication protocol based on Elliptic Curve Cryptography with privacy protection by using a tamper-resistant device at the smart appliance side to achieve a delicate balance between performance and security of smart grids. The proposed protocol provides some attractive features such as identity protection, mutual authentication and key agreement. Finally, we demonstrate the completeness of the proposed protocol using the Gong-Needham-Yahalom logic.

  11. Elliptic Curve Cryptography-Based Authentication with Identity Protection for Smart Grids.

    Science.gov (United States)

    Zhang, Liping; Tang, Shanyu; Luo, He

    2016-01-01

    In a smart grid, the power service provider enables the expected power generation amount to be measured according to current power consumption, thus stabilizing the power system. However, the data transmitted over smart grids are not protected, and then suffer from several types of security threats and attacks. Thus, a robust and efficient authentication protocol should be provided to strength the security of smart grid networks. As the Supervisory Control and Data Acquisition system provides the security protection between the control center and substations in most smart grid environments, we focus on how to secure the communications between the substations and smart appliances. Existing security approaches fail to address the performance-security balance. In this study, we suggest a mitigation authentication protocol based on Elliptic Curve Cryptography with privacy protection by using a tamper-resistant device at the smart appliance side to achieve a delicate balance between performance and security of smart grids. The proposed protocol provides some attractive features such as identity protection, mutual authentication and key agreement. Finally, we demonstrate the completeness of the proposed protocol using the Gong-Needham-Yahalom logic.

  12. The influence of catch trials on the consolidation of motor memory in force field adaptation tasks

    Directory of Open Access Journals (Sweden)

    Anne eFocke

    2013-07-01

    Full Text Available In computational neuroscience it is generally accepted that human motor memory contains neural representations of the physics of the musculoskeletal system and the objects in the environment. These representations are called internal models. Force field studies, in which subjects have to adapt to dynamic perturbations induced by a robotic manipulandum, are an established tool to analyze the characteristics of such internal models. The aim of the current study was to investigate whether catch trials during force field learning could influence the consolidation of motor memory in more complex tasks. Thereby, the force field was more than double the force field of previous studies (35 Ns/m. Moreover, the arm of the subjects was not supported. A total of forty-six subjects participated in this study and performed center-out movements at a robotic manipulandum in two different force fields. Two control groups learned force field A on day 1 and were retested in the same force field on day 3 (AA. Two test groups additionally learned an interfering force field B (=-A on day 2 (ABA. The difference between the two test and control groups, respectively, was the absence (0% or presence (19% of catch trials, in which the force field was turned off suddenly. The results showed consolidation of force field A on day 3 for both control groups. Test groups showed no consolidation of force field A (19% catch trials and even poorer performance on day 3 (0% catch trials. In conclusion, it can be stated that catch trials seem to have a positive effect on the performance on day 3 but do not trigger a consolidation process as shown in previous studies that used a lower force field viscosity with supported arm. These findings indicate that the results of previous studies in which less complex tasks were analyzed, cannot be fully transferred to more complex tasks. Moreover, the effects of catch trials in these situations are insufficiently understood and further research

  13. Air Pollution Monitoring and Mining Based on Sensor Grid in London

    OpenAIRE

    Ma, Yajie; Richards, Mark; Ghanem, Moustafa; Guo, Yike; Hassard, John

    2008-01-01

    In this paper, we present a distributed infrastructure based on wireless sensors network and Grid computing technology for air pollution monitoring and mining, which aims to develop low-cost and ubiquitous sensor networks to collect real-time, large scale and comprehensive environmental data from road traffic emissions for air pollution monitoring in urban environment. The main informatics challenges in respect to constructing the high-throughput sensor Grid are discussed in this paper. We pr...

  14. MAGNETO-FRICTIONAL MODELING OF CORONAL NONLINEAR FORCE-FREE FIELDS. I. TESTING WITH ANALYTIC SOLUTIONS

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Y.; Keppens, R. [School of Astronomy and Space Science, Nanjing University, Nanjing 210023 (China); Xia, C. [Centre for mathematical Plasma-Astrophysics, Department of Mathematics, KU Leuven, B-3001 Leuven (Belgium); Valori, G., E-mail: guoyang@nju.edu.cn [University College London, Mullard Space Science Laboratory, Holmbury St. Mary, Dorking, Surrey RH5 6NT (United Kingdom)

    2016-09-10

    We report our implementation of the magneto-frictional method in the Message Passing Interface Adaptive Mesh Refinement Versatile Advection Code (MPI-AMRVAC). The method aims at applications where local adaptive mesh refinement (AMR) is essential to make follow-up dynamical modeling affordable. We quantify its performance in both domain-decomposed uniform grids and block-adaptive AMR computations, using all frequently employed force-free, divergence-free, and other vector comparison metrics. As test cases, we revisit the semi-analytic solution of Low and Lou in both Cartesian and spherical geometries, along with the topologically challenging Titov–Démoulin model. We compare different combinations of spatial and temporal discretizations, and find that the fourth-order central difference with a local Lax–Friedrichs dissipation term in a single-step marching scheme is an optimal combination. The initial condition is provided by the potential field, which is the potential field source surface model in spherical geometry. Various boundary conditions are adopted, ranging from fully prescribed cases where all boundaries are assigned with the semi-analytic models, to solar-like cases where only the magnetic field at the bottom is known. Our results demonstrate that all the metrics compare favorably to previous works in both Cartesian and spherical coordinates. Cases with several AMR levels perform in accordance with their effective resolutions. The magneto-frictional method in MPI-AMRVAC allows us to model a region of interest with high spatial resolution and large field of view simultaneously, as required by observation-constrained extrapolations using vector data provided with modern instruments. The applications of the magneto-frictional method to observations are shown in an accompanying paper.

  15. Accurate van der Waals force field for gas adsorption in porous materials.

    Science.gov (United States)

    Sun, Lei; Yang, Li; Zhang, Ya-Dong; Shi, Qi; Lu, Rui-Feng; Deng, Wei-Qiao

    2017-09-05

    An accurate van der Waals force field (VDW FF) was derived from highly precise quantum mechanical (QM) calculations. Small molecular clusters were used to explore van der Waals interactions between gas molecules and porous materials. The parameters of the accurate van der Waals force field were determined by QM calculations. To validate the force field, the prediction results from the VDW FF were compared with standard FFs, such as UFF, Dreiding, Pcff, and Compass. The results from the VDW FF were in excellent agreement with the experimental measurements. This force field can be applied to the prediction of the gas density (H 2 , CO 2 , C 2 H 4 , CH 4 , N 2 , O 2 ) and adsorption performance inside porous materials, such as covalent organic frameworks (COFs), zeolites and metal organic frameworks (MOFs), consisting of H, B, N, C, O, S, Si, Al, Zn, Mg, Ni, and Co. This work provides a solid basis for studying gas adsorption in porous materials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  16. An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics

    International Nuclear Information System (INIS)

    Pyzer-Knapp, Edward O.; Thompson, Hugh P. G.; Day, Graeme M.

    2016-01-01

    An empirically parameterized intermolecular force field is developed for crystal structure modelling and prediction. The model is optimized for use with an atomic multipole description of electrostatic interactions. We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force fields that are optimized for use with multipoles derived from polarized molecular electron densities, to account for induction effects in molecular crystals. Parameterization is performed against a set of 186 experimentally determined, low-temperature crystal structures and 53 measured sublimation enthalpies of hydrogen-bonding organic molecules. The resulting force fields are tested on a validation set of 129 crystal structures and show improved reproduction of the structures and lattice energies of a range of organic molecular crystals compared with the original force field with atomic partial charge electrostatics. Unit-cell dimensions of the validation set are typically reproduced to within 3% with the re-parameterized force fields. Lattice energies, which were all included during parameterization, are systematically underestimated when compared with measured sublimation enthalpies, with mean absolute errors of between 7.4 and 9.0%

  17. BC Transmission Corporation : working towards a smarter grid

    Energy Technology Data Exchange (ETDEWEB)

    Morison, K. [British Columbia Transmission Corp., Vancouver, BC (Canada)

    2009-07-01

    This presentation discussed smart grid initiatives implemented as part of the British Columbia Transmission Corporation's (BCTC) transmission technology roadmap. The BCTC system is comprised of 18,000 km of transmission lines with 292 stations and 2 system control centers. BCTC is now aiming to maximize transfer capability and plan transmission system expansions for electricity security and increased capacity. BCTC's smart grid program was also designed to address emerging concerns over sustainability and the environmental impacts of electricity generation. The smart grid program will reduce system congestion, enable the integration of renewable energy, and be used as part of a broader risk assessment strategy. The program includes the use of power electronics, advanced composites and nano-materials, and field work robotics. Advance control centre technologies and synchrophasors will be used to enable wide area control and security assessment. BCTC's other smart grid initiatives include the use of smart equipment monitoring and remote sensing technologies. It was concluded that information and grid-based technologies will increase the efficiency, reliability, and flexibility of the electricity delivery infrastructure. tabs., figs.

  18. A fast pulse design for parallel excitation with gridding conjugate gradient.

    Science.gov (United States)

    Feng, Shuo; Ji, Jim

    2013-01-01

    Parallel excitation (pTx) is recognized as a crucial technique in high field MRI to address the transmit field inhomogeneity problem. However, it can be time consuming to design pTx pulses which is not desirable. In this work, we propose a pulse design with gridding conjugate gradient (CG) based on the small-tip-angle approximation. The two major time consuming matrix-vector multiplications are substituted by two operators which involves with FFT and gridding only. Simulation results have shown that the proposed method is 3 times faster than conventional method and the memory cost is reduced by 1000 times.

  19. Mapping glaucoma patients' 30-2 and 10-2 visual fields reveals clusters of test points damaged in the 10-2 grid that are not sampled in the sparse 30-2 grid.

    Directory of Open Access Journals (Sweden)

    Ryo Asaoka

    Full Text Available PURPOSE: To cluster test points in glaucoma patients' 30-2 and 10-2 visual field (VF (Humphrey Field Analyzer: HFA, Carl Zeiss Meditec, Dublin, CA in order to map the different regions damaged by the disease. METHOD: This retrospective study included 128 eyes from 128 patients. 142 total deviation (TD values (74 from the 30-2 VF and 68 from the 10-2 VF were clustered using the 'Hierarchical Ordered Partitioning And Collapsing Hybrid-Partitioning Around Medoids' algorithm. The stability of the identified clusters was evaluated using bootstrapping. RESULTS: 65 sectors were identified in total: 38 sectors were located outside the 10-2 VF whereas 29 sectors were located inside the 10-2 VF (two sectors overlap in both grids. The mapping of many sectors appeared to follow the distribution of retinal nerve fiber bundles. The results of bootstrapping suggested clusters were stable whether they were outside or inside the 10-2 VF. CONCLUSION: A considerable number of sectors were identified in the 10-2 VF area, despite the fact that clustering was carried out on all points in both the 30-2 VF and 10-2 VF simultaneously. These findings suggest that glaucomatous central VF deterioration cannot be picked up by the 30-2 test grid alone, because of poor spatial sampling; denser estimation of the central ten degrees, than offered by the 30-2 test grid alone, is needed. It may be beneficial to develop a new VF test grid that combines test points from 30-2 and 10-2 VFs--the results of this study could help to devise this test grid.

  20. Nonequilibrium forces between atoms and dielectrics mediated by a quantum field

    International Nuclear Information System (INIS)

    Behunin, Ryan O.; Hu, Bei-Lok

    2011-01-01

    In this paper we give a first principles microphysics derivation of the nonequilibrium forces between an atom, treated as a three-dimensional harmonic oscillator, and a bulk dielectric medium modeled as a continuous lattice of oscillators coupled to a reservoir. We assume no direct interaction between the atom and the medium but there exist mutual influences transmitted via a common electromagnetic field. By employing concepts and techniques of open quantum systems we introduce coarse-graining to the physical variables--the medium, the quantum field, and the atom's internal degrees of freedom, in that order--to extract their averaged effects from the lowest tier progressively to the top tier. The first tier of coarse-graining provides the averaged effect of the medium upon the field, quantified by a complex permittivity (in the frequency domain) describing the response of the dielectric to the field in addition to its back action on the field through a stochastic forcing term. The last tier of coarse-graining over the atom's internal degrees of freedom results in an equation of motion for the atom's center of mass from which we can derive the force on the atom. Our nonequilibrium formulation provides a fully dynamical description of the atom's motion including back-action effects from all other relevant variables concerned. In the long-time limit we recover the known results for the atom-dielectric force when the combined system is in equilibrium or in a nonequilibrium stationary state.

  1. Disaster Monitoring using Grid Based Data Fusion Algorithms

    Directory of Open Access Journals (Sweden)

    Cătălin NAE

    2010-12-01

    Full Text Available This is a study of the application of Grid technology and high performance parallelcomputing to a candidate algorithm for jointly accomplishing data fusion from different sensors. Thisincludes applications for both image analysis and/or data processing for simultaneously trackingmultiple targets in real-time. The emphasis is on comparing the architectures of the serial andparallel algorithms, and characterizing the performance benefits achieved by the parallel algorithmwith both on-ground and in-space hardware implementations. The improved performance levelsachieved by the use of Grid technology (middleware for Parallel Data Fusion are presented for themain metrics of interest in near real-time applications, namely latency, total computation load, andtotal sustainable throughput. The objective of this analysis is, therefore, to demonstrate animplementation of multi-sensor data fusion and/or multi-target tracking functions within an integratedmulti-node portable HPC architecture based on emerging Grid technology. The key metrics to bedetermined in support of ongoing system analyses includes: required computational throughput inMFLOPS; latency between receipt of input data and resulting outputs; and scalability, processorutilization and memory requirements. Furthermore, the standard MPI functions are considered to beused for inter-node communications in order to promote code portability across multiple HPCcomputer platforms, both in space and on-ground.

  2. Grid occupancy estimation for environment perception based on belief functions and PCR6

    Science.gov (United States)

    Moras, Julien; Dezert, Jean; Pannetier, Benjamin

    2015-05-01

    In this contribution, we propose to improve the grid map occupancy estimation method developed so far based on belief function modeling and the classical Dempster's rule of combination. Grid map offers a useful representation of the perceived world for mobile robotics navigation. It will play a major role for the security (obstacle avoidance) of next generations of terrestrial vehicles, as well as for future autonomous navigation systems. In a grid map, the occupancy of each cell representing a small piece of the surrounding area of the robot must be estimated at first from sensors measurements (typically LIDAR, or camera), and then it must also be classified into different classes in order to get a complete and precise perception of the dynamic environment where the robot moves. So far, the estimation and the grid map updating have been done using fusion techniques based on the probabilistic framework, or on the classical belief function framework thanks to an inverse model of the sensors. Mainly because the latter offers an interesting management of uncertainties when the quality of available information is low, and when the sources of information appear as conflicting. To improve the performances of the grid map estimation, we propose in this paper to replace Dempster's rule of combination by the PCR6 rule (Proportional Conflict Redistribution rule #6) proposed in DSmT (Dezert-Smarandache) Theory. As an illustrating scenario, we consider a platform moving in dynamic area and we compare our new realistic simulation results (based on a LIDAR sensor) with those obtained by the probabilistic and the classical belief-based approaches.

  3. Modeling Enzymatic Transition States by Force Field Methods

    DEFF Research Database (Denmark)

    Hansen, Mikkel Bo; Jensen, Hans Jørgen Aagaard; Jensen, Frank

    2009-01-01

    The SEAM method, which models a transition structure as a minimum on the seam of two diabatic surfaces represented by force field functions, has been used to generate 20 transition structures for the decarboxylation of orotidine by the orotidine-5'-monophosphate decarboxylase enzyme. The dependence...... of the TS geometry on the flexibility of the system has been probed by fixing layers of atoms around the active site and using increasingly larger nonbonded cutoffs. The variability over the 20 structures is found to decrease as the system is made more flexible. Relative energies have been calculated...... by various electronic structure methods, where part of the enzyme is represented by a force field description and the effects of the solvent are represented by a continuum model. The relative energies vary by several hundreds of kJ/mol between the transition structures, and tests showed that a large part...

  4. 3D inversion based on multi-grid approach of magnetotelluric data from Northern Scandinavia

    Science.gov (United States)

    Cherevatova, M.; Smirnov, M.; Korja, T. J.; Egbert, G. D.

    2012-12-01

    In this work we investigate the geoelectrical structure of the cratonic margin of Fennoscandian Shield by means of magnetotelluric (MT) measurements carried out in Northern Norway and Sweden during summer 2011-2012. The project Magnetotellurics in the Scandes (MaSca) focuses on the investigation of the crust, upper mantle and lithospheric structure in a transition zone from a stable Precambrian cratonic interior to a passive continental margin beneath the Caledonian Orogen and the Scandes Mountains in western Fennoscandia. Recent MT profiles in the central and southern Scandes indicated a large contrast in resistivity between Caledonides and Precambrian basement. The alum shales as a highly conductive layers between the resistive Precambrian basement and the overlying Caledonian nappes are revealed from this profiles. Additional measurements in the Northern Scandes were required. All together data from 60 synchronous long period (LMT) and about 200 broad band (BMT) sites were acquired. The array stretches from Lofoten and Bodo (Norway) in the west to Kiruna and Skeleftea (Sweden) in the east covering an area of 500x500 square kilometers. LMT sites were occupied for about two months, while most of the BMT sites were measured during one day. We have used new multi-grid approach for 3D electromagnetic (EM) inversion and modelling. Our approach is based on the OcTree discretization where the spatial domain is represented by rectangular cells, each of which might be subdivided (recursively) into eight sub-cells. In this simplified implementation the grid is refined only in the horizontal direction, uniformly in each vertical layer. Using multi-grid we manage to have a high grid resolution near the surface (for instance, to tackle with galvanic distortions) and lower resolution at greater depth as the EM fields decay in the Earth according to the diffusion equation. We also have a benefit in computational costs as number of unknowns decrease. The multi-grid forward

  5. A Non-static Data Layout Enhancing Parallelism and Vectorization in Sparse Grid Algorithms

    KAUST Repository

    Buse, Gerrit

    2012-06-01

    The name sparse grids denotes a highly space-efficient, grid-based numerical technique to approximate high-dimensional functions. Although employed in a broad spectrum of applications from different fields, there have only been few tries to use it in real time visualization (e.g. [1]), due to complex data structures and long algorithm runtime. In this work we present a novel approach inspired by principles of I/0-efficient algorithms. Locally applied coefficient permutations lead to improved cache performance and facilitate the use of vector registers for our sparse grid benchmark problem hierarchization. Based on the compact data structure proposed for regular sparse grids in [2], we developed a new algorithm that outperforms existing implementations on modern multi-core systems by a factor of 37 for a grid size of 127 million points. For larger problems the speedup is even increasing, and with execution times below 1 s, sparse grids are well-suited for visualization applications. Furthermore, we point out how a broad class of sparse grid algorithms can benefit from our approach. © 2012 IEEE.

  6. Synchronous Switching of Non-Line-Start Permanent Magnet Synchronous Machines between Inverter to Grid Drives

    DEFF Research Database (Denmark)

    Ni, Ronggang; Xu, Dianguo; Blaabjerg, Frede

    2016-01-01

    tracking. Furthermore, the method of switching the NLSPMSMs from grid to inverter drives, which is named as backward switching is also proposed. No position sensors are used, and the extended ElectroMotive Force (EMF) based position sensorless control algorithm is adopted during inverter drive. Experiments...

  7. Development of a reactive force field for iron-oxyhydroxide systems.

    Science.gov (United States)

    Aryanpour, Masoud; van Duin, Adri C T; Kubicki, James D

    2010-06-03

    We adopt a classical force field methodology, ReaxFF, which is able to reproduce chemical reactions, and train its parameters for the thermodynamics of iron oxides as well as energetics of a few iron redox reactions. Two parametrizations are developed, and their results are compared with quantum calculations or experimental measurements. In addition to training, two test cases are considered: the lattice parameters of a selected set of iron minerals, and the molecular dynamics simulation of a model for alpha-FeOOH (goethite)-water interaction. Reliability and limitations of the developed force fields in predicting structure and energetics are discussed.

  8. Calculation of electromagnetic fields and forces in coil systems of arbitrary geometry

    International Nuclear Information System (INIS)

    Sackett, S.J.

    1975-01-01

    A computer program, EFFI, is described which calculates the electric and magnetic fields due to an arbitrary spatial distribution of current-carrying circular loops, circular arcs, and straight lines. The electric field is assumed to arise solely from the time variation of the magnetic field, and the magnetic field due to the changing electric field is assumed to be negligible. In addition, the conductor bundle elements (loops, arcs, lines) are assumed to be absent. Electric and magnetic flux lines and magnetic forces and inductances are also calculated by the program. The algorithm used in the code, which is based on a combination of direct and numerical integration using the Biot-Savart law, is discussed. The methods used to maintain accuracy in calculating fields within the conductor bundle, in particular, are detailed. Several examples are then presented to illustrate the input and output features as well as the accuracy obtained and the running time required

  9. Comparative study of the contribution of various PWR spacer grid components to hydrodynamic and wall pressure characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharjee, Saptarshi, E-mail: saptarshi.bhattacharjee@outlook.com [Alternative Energies and Atomic Energy Commission (CEA) – Cadarache, DEN/DTN/STCP/LHC, 13108 Saint Paul lez Durance Cedex (France); Laboratoire de Mécanique, Modélisation et Procédés Propres (M2P2), UMR7340 CNRS, Aix-Marseille Université, Centrale Marseille, 13451 Marseille Cedex (France); Ricciardi, Guillaume [Alternative Energies and Atomic Energy Commission (CEA) – Cadarache, DEN/DTN/STCP/LHC, 13108 Saint Paul lez Durance Cedex (France); Viazzo, Stéphane [Laboratoire de Mécanique, Modélisation et Procédés Propres (M2P2), UMR7340 CNRS, Aix-Marseille Université, Centrale Marseille, 13451 Marseille Cedex (France)

    2017-06-15

    Highlights: • Complex geometry inside a PWR fuel assembly is simulated using simplified 3D models. • Structured meshes are generated as far as possible. • Fluctuating hydrodynamic and wall pressure field are analyzed using LES. • Comparative studies between square spacer grid, circular spacer grid and mixing vanes are presented. • Simulations are compared with experimental data. - Abstract: Flow-induced vibrations in a pressurized water reactor (PWR) core can cause fretting wear in fuel rods. These vibrations can compromise safety of a nuclear reactor. So, it is necessary to know the random fluctuating forces acting on the rods which cause these vibrations. In this paper, simplified 3D models like square spacer grid, circular spacer grid and symmetric mixing vanes have been used inside an annular pipe. Hydrodynamic and wall pressure characteristics are evaluated using large eddy simulations (LES). Structured meshes are generated as far as possible. Simulations are compared with an experiment. Results show that the grid and vanes have a combined effect: grid accelerates the flow whereas the vanes contribute to the swirl structures. Spectral analysis of the simulations illustrate vortex shedding phenomenon in the wake of spacer grids. This initial study opens up interesting perspectives towards improving the modeling strategy and understanding the complex phenomenon inside a PWR core.

  10. Comparative study of the contribution of various PWR spacer grid components to hydrodynamic and wall pressure characteristics

    International Nuclear Information System (INIS)

    Bhattacharjee, Saptarshi; Ricciardi, Guillaume; Viazzo, Stéphane

    2017-01-01

    Highlights: • Complex geometry inside a PWR fuel assembly is simulated using simplified 3D models. • Structured meshes are generated as far as possible. • Fluctuating hydrodynamic and wall pressure field are analyzed using LES. • Comparative studies between square spacer grid, circular spacer grid and mixing vanes are presented. • Simulations are compared with experimental data. - Abstract: Flow-induced vibrations in a pressurized water reactor (PWR) core can cause fretting wear in fuel rods. These vibrations can compromise safety of a nuclear reactor. So, it is necessary to know the random fluctuating forces acting on the rods which cause these vibrations. In this paper, simplified 3D models like square spacer grid, circular spacer grid and symmetric mixing vanes have been used inside an annular pipe. Hydrodynamic and wall pressure characteristics are evaluated using large eddy simulations (LES). Structured meshes are generated as far as possible. Simulations are compared with an experiment. Results show that the grid and vanes have a combined effect: grid accelerates the flow whereas the vanes contribute to the swirl structures. Spectral analysis of the simulations illustrate vortex shedding phenomenon in the wake of spacer grids. This initial study opens up interesting perspectives towards improving the modeling strategy and understanding the complex phenomenon inside a PWR core.

  11. Energy efficiency analysis for flexible-grid OFDM-based optical networks

    DEFF Research Database (Denmark)

    Vizcaíno, Jorge López; Ye, Yabin; Tafur Monroy, Idelfonso

    2012-01-01

    As the Internet traffic grows, the energy efficiency gains more attention as a design factor for the planning and operation of telecommunication networks. This paper is devoted to the study of energy efficiency in optical transport networks, comparing the performance of an innovative flexible......-grid network based on Orthogonal Frequency Division Multiplexing (OFDM) with that of conventional fixed-grid Wavelength Division Multiplexing (WDM) networks with a Single Line Rate (SLR) and with a Mixed Line Rate (MLR) operation. The power consumption values of the network elements are introduced. Energy......-aware heuristic algorithms are proposed for the resource allocation both in static (offline) and dynamic (online) scenarios with time-varying demands for the Elastic-bandwidth OFDM-based network and the WDM networks (with SLR and MLR). The energy efficiency performance of the two network technologies under...

  12. Martini Coarse-Grained Force Field : Extension to Carbohydrates

    NARCIS (Netherlands)

    Lopez, Cesar A.; Rzepiela, Andrzej J.; de Vries, Alex H.; Dijkhuizen, Lubbert; Huenenberger, Philippe H.; Marrink, Siewert J.

    2009-01-01

    We present an extension of the Martini coarse-grained force field to carbohydrates. The parametrization follows the same philosophy as was used previously for lipids and proteins, focusing on the reproduction of partitioning free energies of small compounds between polar and nonpolar phases. The

  13. Construction and application research of Three-dimensional digital power grid in Southwest China

    Science.gov (United States)

    Zhou, Yang; Zhou, Hong; You, Chuan; Jiang, Li; Xin, Weidong

    2018-01-01

    With the rapid development of Three-dimensional (3D) digital design technology in the field of power grid construction, the data foundation and technical means of 3D digital power grid construction approaches perfection. 3D digital power grid has gradually developed into an important part of power grid construction and management. In view of the complicated geological conditions in Southwest China and the difficulty in power grid construction and management, this paper is based on the data assets of Southwest power grid, and it aims at establishing a 3D digital power grid in Southwest China to provide effective support for power grid construction and operation management. This paper discusses the data architecture, technical architecture and system design and implementation process of the 3D digital power grid construction through teasing the key technology of 3D digital power grid. The application of power grid data assets management, transmission line corridor planning, geological hazards risk assessment, environmental impact assessment in 3D digital power grid are also discussed and analysed.

  14. Numerical simulation of a hovering rotor using embedded grids

    Science.gov (United States)

    Duque, Earl-Peter N.; Srinivasan, Ganapathi R.

    1992-01-01

    The flow field for a rotor blade in hover was computed by numerically solving the compressible thin-layer Navier-Stokes equations on embedded grids. In this work, three embedded grids were used to discretize the flow field - one for the rotor blade and two to convect the rotor wake. The computations were performed at two hovering test conditions, for a two-bladed rectangular rotor of aspect ratio six. The results compare fairly with experiment and illustrates the use of embedded grids in solving helicopter type flow fields.

  15. Suppression of guidance force decay of HTS bulk exposed to AC magnetic field perturbation in a maglev vehicle system

    International Nuclear Information System (INIS)

    Zhang Longcai; Wang Suyu; Wang Jiasu

    2009-01-01

    Superconducting maglev vehicle was one of the most promising applications of HTS bulks. In such a system, the HTS bulks were always exposed to AC external magnetic field, which was generated by the inhomogeneous surface magnetic field of the NdFeB guideway. In our previous work, it was observed that the guidance force of the YBCO bulk over the NdFdB guideway used in the high-temperature superconducting maglev vehicle system was decayed by the application of the AC external magnetic field. In this paper, we adopted a method to suppress the decay by altering the field-cooled height of the bulk. From the experimental results, it was found that the decay rate of the guidance force was smaller at lower field-cooled height. So we could suppress the guidance force decay of HTS bulk exposed to AC external magnetic field perturbation in the maglev vehicle system by reducing the field-cooled height of the bulk. Furthermore, all the experimental results in this paper were explained based on Bean critical-state model.

  16. Suppression of guidance force decay of HTS bulk exposed to AC magnetic field perturbation in a maglev vehicle system

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Longcai, E-mail: zhlcai2000@163.co [College of Air Traffic Management, Civil Aviation Flight University of China, Guanghan, Sichuan 618307 (China); Wang Suyu; Wang Jiasu [Applied Superconductivity Laboratory, Southwest Jiaotong University, P.O. Box 152, Chengdu, Sichuan 610031 (China)

    2009-07-01

    Superconducting maglev vehicle was one of the most promising applications of HTS bulks. In such a system, the HTS bulks were always exposed to AC external magnetic field, which was generated by the inhomogeneous surface magnetic field of the NdFeB guideway. In our previous work, it was observed that the guidance force of the YBCO bulk over the NdFdB guideway used in the high-temperature superconducting maglev vehicle system was decayed by the application of the AC external magnetic field. In this paper, we adopted a method to suppress the decay by altering the field-cooled height of the bulk. From the experimental results, it was found that the decay rate of the guidance force was smaller at lower field-cooled height. So we could suppress the guidance force decay of HTS bulk exposed to AC external magnetic field perturbation in the maglev vehicle system by reducing the field-cooled height of the bulk. Furthermore, all the experimental results in this paper were explained based on Bean critical-state model.

  17. Improvement of a force field to model the edges of clay particles

    International Nuclear Information System (INIS)

    Pouvreau, Maxime

    2016-01-01

    The CLAYFF force field is widely used to model the interfaces of clay minerals - and related layered materials - with an aqueous phase. In the simulations, clay particles are typically represented by semi-infinite layers, i.e. only surfaces parallel to the layer plane (basal surfaces) are considered. This simplification is acceptable to a certain extent, but clay layers are really nano sized and terminated by lateral surfaces or edges. These surfaces can not only adsorb solvated species but are also subject to proton transfers, and all physico-chemical processes related to the aqueous phase acidity predominantly occur at the edges. By adding to the CLAYFF force field a Metal-O-H angle bending term whose parameters are correctly adjusted, the simulations of edge interfaces become possible.The parameters of Al-O-H and Mg-O-H terms were obtained from DFT calculations on bulk, basal surface and edge structural models of gibbsite Al(OH) 3 and brucite Mg(OH) 2 , whose layers can be considered as the backbones of clay minerals and related materials. In addition, the Si-O-H term was parametrized from an edge model of kaolinite Al 2 Si 2 O 5 (OH) 4 . Molecular dynamics simulations based on DFT and on CLAYFF with and without Metal-O-H term were performed. The modified force field clearly improves the description of hydroxylated surfaces: the orientation and the vibrational dynamics of the hydroxyl groups, the hydrogen bonding, and the coordination of metal atoms belonging to the edge are all closer to reality [fr

  18. Mapping the Protein Fold Universe Using the CamTube Force Field in Molecular Dynamics Simulations.

    Science.gov (United States)

    Kukic, Predrag; Kannan, Arvind; Dijkstra, Maurits J J; Abeln, Sanne; Camilloni, Carlo; Vendruscolo, Michele

    2015-10-01

    It has been recently shown that the coarse-graining of the structures of polypeptide chains as self-avoiding tubes can provide an effective representation of the conformational space of proteins. In order to fully exploit the opportunities offered by such a 'tube model' approach, we present here a strategy to combine it with molecular dynamics simulations. This strategy is based on the incorporation of the 'CamTube' force field into the Gromacs molecular dynamics package. By considering the case of a 60-residue polyvaline chain, we show that CamTube molecular dynamics simulations can comprehensively explore the conformational space of proteins. We obtain this result by a 20 μs metadynamics simulation of the polyvaline chain that recapitulates the currently known protein fold universe. We further show that, if residue-specific interaction potentials are added to the CamTube force field, it is possible to fold a protein into a topology close to that of its native state. These results illustrate how the CamTube force field can be used to explore efficiently the universe of protein folds with good accuracy and very limited computational cost.

  19. Silicon nitride grids are compatible with correlative negative staining electron microscopy and tip-enhanced Raman spectroscopy for use in the detection of micro-organisms.

    Science.gov (United States)

    Lausch, V; Hermann, P; Laue, M; Bannert, N

    2014-06-01

    Successive application of negative staining transmission electron microscopy (TEM) and tip-enhanced Raman spectroscopy (TERS) is a new correlative approach that could be used to rapidly and specifically detect and identify single pathogens including bioterrorism-relevant viruses in complex samples. Our objective is to evaluate the TERS-compatibility of commonly used electron microscopy (EM) grids (sample supports), chemicals and negative staining techniques and, if required, to devise appropriate alternatives. While phosphortungstic acid (PTA) is suitable as a heavy metal stain, uranyl acetate, paraformaldehyde in HEPES buffer and alcian blue are unsuitable due to their relatively high Raman scattering. Moreover, the low thermal stability of the carbon-coated pioloform film on copper grids (pioloform grids) negates their utilization. The silicon in the cantilever of the silver-coated atomic force microscope tip used to record TERS spectra suggested that Si-based grids might be employed as alternatives. From all evaluated Si-based TEM grids, the silicon nitride (SiN) grid was found to be best suited, with almost no background Raman signals in the relevant spectral range, a low surface roughness and good particle adhesion properties that could be further improved by glow discharge. Charged SiN grids have excellent particle adhesion properties. The use of these grids in combination with PTA for contrast in the TEM is suitable for subsequent analysis by TERS. The study reports fundamental modifications and optimizations of the negative staining EM method that allows a combination with near-field Raman spectroscopy to acquire a spectroscopic signature from nanoscale biological structures. This should facilitate a more precise diagnosis of single viral particles and other micro-organisms previously localized and visualized in the TEM. © 2014 The Society for Applied Microbiology.

  20. SoilGrids1km--global soil information based on automated mapping.

    Directory of Open Access Journals (Sweden)

    Tomislav Hengl

    Full Text Available BACKGROUND: Soils are widely recognized as a non-renewable natural resource and as biophysical carbon sinks. As such, there is a growing requirement for global soil information. Although several global soil information systems already exist, these tend to suffer from inconsistencies and limited spatial detail. METHODOLOGY/PRINCIPAL FINDINGS: We present SoilGrids1km--a global 3D soil information system at 1 km resolution--containing spatial predictions for a selection of soil properties (at six standard depths: soil organic carbon (g kg-1, soil pH, sand, silt and clay fractions (%, bulk density (kg m-3, cation-exchange capacity (cmol+/kg, coarse fragments (%, soil organic carbon stock (t ha-1, depth to bedrock (cm, World Reference Base soil groups, and USDA Soil Taxonomy suborders. Our predictions are based on global spatial prediction models which we fitted, per soil variable, using a compilation of major international soil profile databases (ca. 110,000 soil profiles, and a selection of ca. 75 global environmental covariates representing soil forming factors. Results of regression modeling indicate that the most useful covariates for modeling soils at the global scale are climatic and biomass indices (based on MODIS images, lithology, and taxonomic mapping units derived from conventional soil survey (Harmonized World Soil Database. Prediction accuracies assessed using 5-fold cross-validation were between 23-51%. CONCLUSIONS/SIGNIFICANCE: SoilGrids1km provide an initial set of examples of soil spatial data for input into global models at a resolution and consistency not previously available. Some of the main limitations of the current version of SoilGrids1km are: (1 weak relationships between soil properties/classes and explanatory variables due to scale mismatches, (2 difficulty to obtain covariates that capture soil forming factors, (3 low sampling density and spatial clustering of soil profile locations. However, as the SoilGrids system is

  1. Porting of Scientific Applications to Grid Computing on GridWay

    Directory of Open Access Journals (Sweden)

    J. Herrera

    2005-01-01

    Full Text Available The expansion and adoption of Grid technologies is prevented by the lack of a standard programming paradigm to port existing applications among different environments. The Distributed Resource Management Application API has been proposed to aid the rapid development and distribution of these applications across different Distributed Resource Management Systems. In this paper we describe an implementation of the DRMAA standard on a Globus-based testbed, and show its suitability to express typical scientific applications, like High-Throughput and Master-Worker applications. The DRMAA routines are supported by the functionality offered by the GridWay2 framework, which provides the runtime mechanisms needed for transparently executing jobs on a dynamic Grid environment based on Globus. As cases of study, we consider the implementation with DRMAA of a bioinformatics application, a genetic algorithm and the NAS Grid Benchmarks.

  2. Air Pollution Monitoring and Mining Based on Sensor Grid in London.

    Science.gov (United States)

    Ma, Yajie; Richards, Mark; Ghanem, Moustafa; Guo, Yike; Hassard, John

    2008-06-01

    In this paper, we present a distributed infrastructure based on wireless sensors network and Grid computing technology for air pollution monitoring and mining, which aims to develop low-cost and ubiquitous sensor networks to collect real-time, large scale and comprehensive environmental data from road traffic emissions for air pollution monitoring in urban environment. The main informatics challenges in respect to constructing the high-throughput sensor Grid are discussed in this paper. We present a twolayer network framework, a P2P e-Science Grid architecture, and the distributed data mining algorithm as the solutions to address the challenges. We simulated the system in TinyOS to examine the operation of each sensor as well as the networking performance. We also present the distributed data mining result to examine the effectiveness of the algorithm.

  3. seNorge2 daily precipitation, an observational gridded dataset over Norway from 1957 to the present day

    Science.gov (United States)

    Lussana, Cristian; Saloranta, Tuomo; Skaugen, Thomas; Magnusson, Jan; Tveito, Ole Einar; Andersen, Jess

    2018-02-01

    The conventional climate gridded datasets based on observations only are widely used in atmospheric sciences; our focus in this paper is on climate and hydrology. On the Norwegian mainland, seNorge2 provides high-resolution fields of daily total precipitation for applications requiring long-term datasets at regional or national level, where the challenge is to simulate small-scale processes often taking place in complex terrain. The dataset constitutes a valuable meteorological input for snow and hydrological simulations; it is updated daily and presented on a high-resolution grid (1 km of grid spacing). The climate archive goes back to 1957. The spatial interpolation scheme builds upon classical methods, such as optimal interpolation and successive-correction schemes. An original approach based on (spatial) scale-separation concepts has been implemented which uses geographical coordinates and elevation as complementary information in the interpolation. seNorge2 daily precipitation fields represent local precipitation features at spatial scales of a few kilometers, depending on the station network density. In the surroundings of a station or in dense station areas, the predictions are quite accurate even for intense precipitation. For most of the grid points, the performances are comparable to or better than a state-of-the-art pan-European dataset (E-OBS), because of the higher effective resolution of seNorge2. However, in very data-sparse areas, such as in the mountainous region of southern Norway, seNorge2 underestimates precipitation because it does not make use of enough geographical information to compensate for the lack of observations. The evaluation of seNorge2 as the meteorological forcing for the seNorge snow model and the DDD (Distance Distribution Dynamics) rainfall-runoff model shows that both models have been able to make profitable use of seNorge2, partly because of the automatic calibration procedure they incorporate for precipitation. The seNorge2

  4. Grid-based modeling for land use planning and environmental resource mapping.

    Energy Technology Data Exchange (ETDEWEB)

    Kuiper, J. A.

    1999-08-04

    Geographic Information System (GIS) technology is used by land managers and natural resource planners for examining resource distribution and conducting project planning, often by visually interpreting spatial data representing environmental or regulatory variables. Frequently, many variables influence the decision-making process, and modeling can improve results with even a small investment of time and effort. Presented are several grid-based GIS modeling projects, including: (1) land use optimization under environmental and regulatory constraints; (2) identification of suitable wetland mitigation sites; and (3) predictive mapping of prehistoric cultural resource sites. As different as the applications are, each follows a similar process of problem conceptualization, implementation of a practical grid-based GIS model, and evaluation of results.

  5. Therapeutic benefits in grid irradiation on Tomotherapy for bulky, radiation-resistant tumors.

    Science.gov (United States)

    Narayanasamy, Ganesh; Zhang, Xin; Meigooni, Ali; Paudel, Nava; Morrill, Steven; Maraboyina, Sanjay; Peacock, Loverd; Penagaricano, Jose

    2017-08-01

    Spatially fractionated radiation therapy (SFRT or grid therapy) has proven to be effective in management of bulky tumors. The aim of this project is to study the therapeutic ratio (TR) of helical Tomotherapy (HT)-based grid therapy using linear-quadratic cell survival model. HT-based grid (or HT-GRID) plan was generated using a patient-specific virtual grid pattern of high-dose cylindrical regions using MLCs. TR was defined as the ratio of normal tissue surviving fraction (SF) under HT-GRID irradiation to an open debulking field of an equivalent dose that result in the same tumor cell SF. TR was estimated from DVH data on ten HT-GRID patient plans with deep seated, bulky tumor. Dependence of the TR values on radiosensitivity of the tumor cells and prescription dose was analyzed. The mean ± standard deviation (SD) of TR was 4.0 ± 0.7 (range: 3.1-5.5) for the 10 patients with single fraction maximum dose of 20 Gy to GTV assuming a tumor cell SF at 2 Gy (SF2 t ) value of 0·5. In addition, the mean ± SD of TR values for SF2 t values of 0.3 and 0.7 were found to be 1 ± 0.1 and 18.0 ± 5.1, respectively. Reducing the prescription dose to 15 and 10 Gy lowered the respective TR values to 2.0 ± 0.2 and 1.2 ± 0.04 for a SF2 t value of 0.5. HT-GRID therapy demonstrates a significant therapeutic advantage over uniform dose from an open field irradiation for the same tumor cell kill. TR increases with the radioresistance of the tumor cells and with prescription dose.

  6. Building machine learning force fields for nanoclusters

    Science.gov (United States)

    Zeni, Claudio; Rossi, Kevin; Glielmo, Aldo; Fekete, Ádám; Gaston, Nicola; Baletto, Francesca; De Vita, Alessandro

    2018-06-01

    We assess Gaussian process (GP) regression as a technique to model interatomic forces in metal nanoclusters by analyzing the performance of 2-body, 3-body, and many-body kernel functions on a set of 19-atom Ni cluster structures. We find that 2-body GP kernels fail to provide faithful force estimates, despite succeeding in bulk Ni systems. However, both 3- and many-body kernels predict forces within an ˜0.1 eV/Å average error even for small training datasets and achieve high accuracy even on out-of-sample, high temperature structures. While training and testing on the same structure always provide satisfactory accuracy, cross-testing on dissimilar structures leads to higher prediction errors, posing an extrapolation problem. This can be cured using heterogeneous training on databases that contain more than one structure, which results in a good trade-off between versatility and overall accuracy. Starting from a 3-body kernel trained this way, we build an efficient non-parametric 3-body force field that allows accurate prediction of structural properties at finite temperatures, following a newly developed scheme [A. Glielmo et al., Phys. Rev. B 95, 214302 (2017)]. We use this to assess the thermal stability of Ni19 nanoclusters at a fractional cost of full ab initio calculations.

  7. Wind energy in offshore grids

    DEFF Research Database (Denmark)

    Schröder, Sascha Thorsten

    special characteristics of offshore grids. With an operational real options approach, it is furthermore illustrated how different support schemes and connections to additional countries affect the investment case of an offshore wind farm and the income of the transmission system operator. The investment...... and investment implications under different regulatory frameworks are a hitherto underrepresented research field. They are addressed by this thesis. Offshore grids between several countries combine the absorption of wind energy with international power trading. However, the inclusion into an offshore grid......This cumulative PhD thesis deals with wind integration in offshore grids from an economic point of view. It is composed of a generic part and eight papers. As the topic has mostly been analysed with a focus on topology and technical issues until now, market-operational questions in offshore grids...

  8. Expanded Large-Scale Forcing Properties Derived from the Multiscale Data Assimilation System and Its Application to Single-Column Models

    Science.gov (United States)

    Feng, S.; Li, Z.; Liu, Y.; Lin, W.; Toto, T.; Vogelmann, A. M.; Fridlind, A. M.

    2013-12-01

    We present an approach to derive large-scale forcing that is used to drive single-column models (SCMs) and cloud resolving models (CRMs)/large eddy simulation (LES) for evaluating fast physics parameterizations in climate models. The forcing fields are derived by use of a newly developed multi-scale data assimilation (MS-DA) system. This DA system is developed on top of the NCEP Gridpoint Statistical Interpolation (GSI) System and is implemented in the Weather Research and Forecasting (WRF) model at a cloud resolving resolution of 2 km. This approach has been applied to the generation of large scale forcing for a set of Intensive Operation Periods (IOPs) over the Atmospheric Radiation Measurement (ARM) Climate Research Facility's Southern Great Plains (SGP) site. The dense ARM in-situ observations and high-resolution satellite data effectively constrain the WRF model. The evaluation shows that the derived forcing displays accuracies comparable to the existing continuous forcing product and, overall, a better dynamic consistency with observed cloud and precipitation. One important application of this approach is to derive large-scale hydrometeor forcing and multiscale forcing, which is not provided in the existing continuous forcing product. It is shown that the hydrometeor forcing poses an appreciable impact on cloud and precipitation fields in the single-column model simulations. The large-scale forcing exhibits a significant dependency on domain-size that represents SCM grid-sizes. Subgrid processes often contribute a significant component to the large-scale forcing, and this contribution is sensitive to the grid-size and cloud-regime.

  9. Application of rule-based data mining techniques to real time ATLAS Grid job monitoring data

    CERN Document Server

    Ahrens, R; The ATLAS collaboration; Kalinin, S; Maettig, P; Sandhoff, M; dos Santos, T; Volkmer, F

    2012-01-01

    The Job Execution Monitor (JEM) is a job-centric grid job monitoring software developed at the University of Wuppertal and integrated into the pilot-based “PanDA” job brokerage system leveraging physics analysis and Monte Carlo event production for the ATLAS experiment on the Worldwide LHC Computing Grid (WLCG). With JEM, job progress and grid worker node health can be supervised in real time by users, site admins and shift personnel. Imminent error conditions can be detected early and countermeasures can be initiated by the Job’s owner immideatly. Grid site admins can access aggregated data of all monitored jobs to infer the site status and to detect job and Grid worker node misbehaviour. Shifters can use the same aggregated data to quickly react to site error conditions and broken production tasks. In this work, the application of novel data-centric rule based methods and data-mining techniques to the real time monitoring data is discussed. The usage of such automatic inference techniques on monitorin...

  10. Analysis of Three-Phase Rectifier Systems with Controlled DC-Link Current Under Unbalanced Grids

    DEFF Research Database (Denmark)

    Kumar, Dinesh; Davari, Pooya; Zare, Firuz

    2017-01-01

    Voltage unbalance is the most common disturbance in distribution networks, which give undesirable effects on many grid connected power electronics systems including Adjustable Speed Drive (ASD). Severe voltage unbalance can force three-phase rectifiers into almost single-phase operation, which...... degrades the grid power quality and also imposes a significant negative impact on the ASD system. This major power quality issue affecting the conventional rectifiers can be attenuated by controlling the DC-link current based on an Electronic Inductor (EI) technique. The purpose of this digest...... is to analyze and compare the performance of an EI with a conventional three-phase rectifier under unbalanced grid conditions. Experimental and simulation results validate the proposed mathematical modelling. Further analysis and benchmarking will be provided in the final paper....

  11. A levitation force and magnetic field distribution measurement system in three dimensions

    International Nuclear Information System (INIS)

    Yang, W.M.; Chao, X.X.; Shu, Z.B.; Zhu, S.H.; Wu, X.L.; Bian, X.B.; Liu, P.

    2006-01-01

    A levitation force and magnetic field distribution measurement system in three dimension has been designed and constructed, which can be used for the levitation force measurement between a superconductor and a magnet, or magnet to magnet in three dimensions; and for the measurement of magnetic field distribution in three dimensions according to your need in space. It can also give out the dynamical changing result of magnetic field density with time during levitation force measurement. If we change the sensor of the detector of the measurement system, it also can be used for other kinds of measurement of physical properties. It is a good device for the measurement of magnetic properties of materials. In addition the device can also be used to work at carving in three dimensions

  12. Flexible operation of parallel grid-connecting converters under unbalanced grid voltage

    DEFF Research Database (Denmark)

    Lu, Jinghang; Savaghebi, Mehdi; Guerrero, Josep M.

    2017-01-01

    -link voltage ripple, and overloading. Moreover, under grid voltage unbalance, the active power delivery ability is decreased due to the converter's current rating limitation. In this paper, a thorough study on the current limitation of the grid-connecting converter under grid voltage unbalance is conducted....... In addition, based on the principle that total output active power should be oscillation free, a coordinated control strategy is proposed for the parallel grid-connecting converters. The case study has been conducted to demonstrate the effectiveness of this proposed control strategy....

  13. Self-consistent mean field forces in turbulent plasmas: Current and momentum relaxation

    International Nuclear Information System (INIS)

    Hegna, C.C.

    1997-08-01

    The properties of turbulent plasmas are described using the two-fluid equations. Under some modest assumptions, global constraints for the turbulent mean field forces that act on the ion and electron fluids are derived. These constraints imply a functional form for the parallel mean field forces in the Ohm's law and the momentum balance equation. These forms suggest that the fluctuations attempt to relax the plasma to a state where both the current and the bulk plasma momentum are aligned along the mean magnetic field with proportionality constants that are global constants. Observations of flow profile evolution during discrete dynamo activity in reversed field pinch experiments are interpreted

  14. Sultan - forced flow, high field test facility

    International Nuclear Information System (INIS)

    Horvath, I.; Vecsey, G.; Weymuth, P.; Zellweger, J.

    1981-01-01

    Three European laboratories: CNEN (Frascati, I) ECN (Petten, NL) and SIN (Villigen, CH) decided to coordinate their development efforts and to install a common high field forced flow test facility at Villigen Switzerland. The test facility SULTAN (Supraleiter Testanlage) is presently under construction. As a first step, an 8T/1m bore solenoid with cryogenic periphery will be ready in 1981. The cryogenic system, data acquisition system and power supplies which are contributed by SIN are described. Experimental feasibilities, including cooling, and instrumentation are reviewed. Progress of components and facility construction is described. Planned extension of the background field up to 12T by insert coils is outlined. 5 refs

  15. Sustainable Power Supply Solutions for Off-Grid Base Stations

    Directory of Open Access Journals (Sweden)

    Asma Mohamad Aris

    2015-09-01

    Full Text Available The telecommunication sector plays a significant role in shaping the global economy and the way people share information and knowledge. At present, the telecommunication sector is liable for its energy consumption and the amount of emissions it emits in the environment. In the context of off-grid telecommunication applications, off-grid base stations (BSs are commonly used due to their ability to provide radio coverage over a wide geographic area. However, in the past, the off-grid BSs usually relied on emission-intensive power supply solutions such as diesel generators. In this review paper, various types of solutions (including, in particular, the sustainable solutions for powering BSs are discussed. The key aspects in designing an ideal power supply solution are reviewed, and these mainly include the pre-feasibility study and the thermal management of BSs, which comprise heating and cooling of the BS shelter/cabinets and BS electronic equipment and power supply components. The sizing and optimization approaches used to design the BSs’ power supply systems as well as the operational and control strategies adopted to manage the power supply systems are also reviewed in this paper.

  16. Bus.py: A GridLAB-D Communication Interface for Smart Distribution Grid Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Hansen, Timothy M.; Palmintier, Bryan; Suryanarayanan, Siddharth; Maciejewski, Anthony A.; Siegel, Howard Jay

    2015-07-03

    As more Smart Grid technologies (e.g., distributed photovoltaic, spatially distributed electric vehicle charging) are integrated into distribution grids, static distribution simulations are no longer sufficient for performing modeling and analysis. GridLAB-D is an agent-based distribution system simulation environment that allows fine-grained end-user models, including geospatial and network topology detail. A problem exists in that, without outside intervention, once the GridLAB-D simulation begins execution, it will run to completion without allowing the real-time interaction of Smart Grid controls, such as home energy management systems and aggregator control. We address this lack of runtime interaction by designing a flexible communication interface, Bus.py (pronounced bus-dot-pie), that uses Python to pass messages between one or more GridLAB-D instances and a Smart Grid simulator. This work describes the design and implementation of Bus.py, discusses its usefulness in terms of some Smart Grid scenarios, and provides an example of an aggregator-based residential demand response system interacting with GridLAB-D through Bus.py. The small scale example demonstrates the validity of the interface and shows that an aggregator using said interface is able to control residential loads in GridLAB-D during runtime to cause a reduction in the peak load on the distribution system in (a) peak reduction and (b) time-of-use pricing cases.

  17. Climate modelling on the GRID Experiences in the EU-project EELA

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez-Quiruelas, V.; Fernandez, J.; Cofino, A. S.; Gutierrez, J. M.; Baeza Retamal, C.; Abarca del Rio, R.; Miguel San Martin, R.; Carrillo, M.

    2007-07-01

    Recent trends in climate modeling find in GRID computing a powerful way to achieve results by sharing computing and data distributed resources. In particular, ensemble prediction is based on the generation of multiple simulations from perturbed model conditions to sample the existing uncertainties. In this work, we present a GRID application consisting of a sequence of two state-of-the-art climate models (one global model and one regional model), operable through a web portal (based on Genius). The main goal of the application is providing ensemble-based regional predictions. This requires managing a complex work flow involving long-term jobs and job dependencies in a user-transparent way. In doing so, we identified the weaknesses of current middle ware tools and developed a robust work flow by merging the optimal existing applications with an underlying self-developed work flow application based on the communication with metadata catalogs (currently AMGA) storing application status and dynamic model output generation. As an illustrative scientific challenge, the application is applied to study the El Nino phenomenon, by simulating an El Nino year with different forcing conditions and analyzing the precipitation response over south-american countries subject to flooding risk. GRID computing; Climate models; CAM model; WRF model; Work flow. (Author)

  18. Climate modelling on the GRID Experiences in the EU-project EELA

    International Nuclear Information System (INIS)

    Fernandez-Quiruelas, V.; Fernandez, J.; Cofino, A. S.; Gutierrez, J. M.; Baeza Retamal, C.; Abarca del Rio, R.; Miguel San Martin, R.; Carrillo, M.

    2007-01-01

    Recent trends in climate modeling find in GRID computing a powerful way to achieve results by sharing computing and data distributed resources. In particular, ensemble prediction is based on the generation of multiple simulations from perturbed model conditions to sample the existing uncertainties. In this work, we present a GRID application consisting of a sequence of two state-of-the-art climate models (one global model and one regional model), operable through a web portal (based on Genius). The main goal of the application is providing ensemble-based regional predictions. This requires managing a complex work flow involving long-term jobs and job dependencies in a user-transparent way. In doing so, we identified the weaknesses of current middle ware tools and developed a robust work flow by merging the optimal existing applications with an underlying self-developed work flow application based on the communication with metadata catalogs (currently AMGA) storing application status and dynamic model output generation. As an illustrative scientific challenge, the application is applied to study the El Nino phenomenon, by simulating an El Nino year with different forcing conditions and analyzing the precipitation response over south-american countries subject to flooding risk. GRID computing; Climate models; CAM model; WRF model; Work flow. (Author)

  19. A composite passive damping method of the LLCL-filter based grid-tied inverter

    DEFF Research Database (Denmark)

    Wu, Weimin; Huang, Min; Sun, Yunjie

    2012-01-01

    This paper investigates the maximum and the minimum gain of the proportional resonant based grid current controller for a grid-tied inverter with a passive damped high-order power filter. It is found that the choice of the controller gain is limited to the local maximum amplitude determined by Q......-factor around the characteristic frequency of the filter and grid impedance. To obtain the Q-factor of a high-order system, an equivalent circuit analysis method is proposed and illustrated through several classical passive damped LCL- and LLCL-filters. It is shown that both the RC parallel damper...... that is in parallel with the capacitor of the LCL-filter or with the Lf-Cf resonant circuit of the LLCL-filter, and the RL series damper in series with the grid-side inductor have their own application limits. Thus, a composite passive damped LLCL-filter for the grid-tied inverter is proposed, which can effectively...

  20. Performance of R-GMA based grid job monitoring system for CMS data production

    CERN Document Server

    Byrom, Robert; Fisher, Steve M; Grandi, Claudio; Hobson, Peter R; Kyberd, Paul; MacEvoy, Barry; Nebrensky, Jindrich Josef; Tallini, Hugh; Traylen, Stephen

    2004-01-01

    High Energy Physics experiments, such as the Compact Muon Solenoid (CMS) at the CERN laboratory in Geneva, have large-scale data processing requirements, with stored data accumulating at a rate of 1 Gbyte/s. This load comfortably exceeds any previous processing requirements and we believe it may be most efficiently satisfied through Grid computing. Management of large Monte Carlo productions (~3000 jobs) or data analyses and the quality assurance of the results requires careful monitoring and bookkeeping, and an important requirement when using the Grid is the ability to monitor transparently the large number of jobs that are being executed simultaneously at multiple remote sites. R-GMA is a monitoring and information management service for distributed resources based on the Grid Monitoring Architecture of the Global Grid Forum. We have previously developed a system allowing us to test its performance under a heavy load while using few real Grid resources. We present the latest results on this system and comp...

  1. The impact of previous knee injury on force plate and field-based measures of balance.

    Science.gov (United States)

    Baltich, Jennifer; Whittaker, Jackie; Von Tscharner, Vinzenz; Nettel-Aguirre, Alberto; Nigg, Benno M; Emery, Carolyn

    2015-10-01

    Individuals with post-traumatic osteoarthritis demonstrate increased sway during quiet stance. The prospective association between balance and disease onset is unknown. Improved understanding of balance in the period between joint injury and disease onset could inform secondary prevention strategies to prevent or delay the disease. This study examines the association between youth sport-related knee injury and balance, 3-10years post-injury. Participants included 50 individuals (ages 15-26years) with a sport-related intra-articular knee injury sustained 3-10years previously and 50 uninjured age-, sex- and sport-matched controls. Force-plate measures during single-limb stance (center-of-pressure 95% ellipse-area, path length, excursion, entropic half-life) and field-based balance scores (triple single-leg hop, star-excursion, unipedal dynamic balance) were collected. Descriptive statistics (mean within-pair difference; 95% confidence intervals) were used to compare groups. Linear regression (adjusted for injury history) was used to assess the relationship between ellipse-area and field-based scores. Injured participants on average demonstrated greater medio-lateral excursion [mean within-pair difference (95% confidence interval); 2.8mm (1.0, 4.5)], more regular medio-lateral position [10ms (2, 18)], and shorter triple single-leg hop distances [-30.9% (-8.1, -53.7)] than controls, while no between group differences existed for the remaining outcomes. After taking into consideration injury history, triple single leg hop scores demonstrated a linear association with ellipse area (β=0.52, 95% confidence interval 0.01, 1.01). On average the injured participants adjusted their position less frequently and demonstrated a larger magnitude of movement during single-limb stance compared to controls. These findings support the evaluation of balance outcomes in the period between knee injury and post-traumatic osteoarthritis onset. Copyright © 2015 Elsevier Ltd. All rights

  2. Double-grid finite-difference frequency-domain (DG-FDFD) method for scattering from chiral objects

    CERN Document Server

    Alkan, Erdogan; Elsherbeni, Atef

    2013-01-01

    This book presents the application of the overlapping grids approach to solve chiral material problems using the FDFD method. Due to the two grids being used in the technique, we will name this method as Double-Grid Finite Difference Frequency-Domain (DG-FDFD) method. As a result of this new approach the electric and magnetic field components are defined at every node in the computation space. Thus, there is no need to perform averaging during the calculations as in the aforementioned FDFD technique [16]. We formulate general 3D frequency-domain numerical methods based on double-grid

  3. A new service-oriented grid-based method for AIoT application and implementation

    Science.gov (United States)

    Zou, Yiqin; Quan, Li

    2017-07-01

    The traditional three-layer Internet of things (IoT) model, which includes physical perception layer, information transferring layer and service application layer, cannot express complexity and diversity in agricultural engineering area completely. It is hard to categorize, organize and manage the agricultural things with these three layers. Based on the above requirements, we propose a new service-oriented grid-based method to set up and build the agricultural IoT. Considering the heterogeneous, limitation, transparency and leveling attributes of agricultural things, we propose an abstract model for all agricultural resources. This model is service-oriented and expressed with Open Grid Services Architecture (OGSA). Information and data of agricultural things were described and encapsulated by using XML in this model. Every agricultural engineering application will provide service by enabling one application node in this service-oriented grid. Description of Web Service Resource Framework (WSRF)-based Agricultural Internet of Things (AIoT) and the encapsulation method were also discussed in this paper for resource management in this model.

  4. Improving energy efficiency and smart grid program analysis with agent-based end-use forecasting models

    International Nuclear Information System (INIS)

    Jackson, Jerry

    2010-01-01

    Electric utilities and regulators face difficult challenges evaluating new energy efficiency and smart grid programs prompted, in large part, by recent state and federal mandates and financial incentives. It is increasingly difficult to separate electricity use impacts of individual utility programs from the impacts of increasingly stringent appliance and building efficiency standards, increasing electricity prices, appliance manufacturer efficiency improvements, energy program interactions and other factors. This study reviews traditional approaches used to evaluate electric utility energy efficiency and smart-grid programs and presents an agent-based end-use modeling approach that resolves many of the shortcomings of traditional approaches. Data for a representative sample of utility customers in a Midwestern US utility are used to evaluate energy efficiency and smart grid program targets over a fifteen-year horizon. Model analysis indicates that a combination of the two least stringent efficiency and smart grid program scenarios provides peak hour reductions one-third greater than the most stringent smart grid program suggesting that reductions in peak demand requirements are more feasible when both efficiency and smart grid programs are considered together. Suggestions on transitioning from traditional end-use models to agent-based end-use models are provided.

  5. The Alexandria library, a quantum-chemical database of molecular properties for force field development.

    Science.gov (United States)

    Ghahremanpour, Mohammad M; van Maaren, Paul J; van der Spoel, David

    2018-04-10

    Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

  6. The Alexandria library, a quantum-chemical database of molecular properties for force field development

    Science.gov (United States)

    Ghahremanpour, Mohammad M.; van Maaren, Paul J.; van der Spoel, David

    2018-04-01

    Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

  7. Desain Pengisian Optimal Kendaraan Listrik Berdasarkan Kebutuhan Daya Grid dan Kondisi Grid pada Stasiun Pengisian Kendaraan Listrik Menggunakan Kontroler Logika Fuzzy

    Directory of Open Access Journals (Sweden)

    Onang Surya Nugroho

    2017-01-01

    Full Text Available Electric vehicles has become one of alternatives in addressing energy crisis in the field of transportation. Increasing the number of electric vehicles that are not accompanied by a proper charging station management would give negative impact either to the distribution system on the network such as voltage fluctuation, voltage drop, voltage stress, lack of continuity of the power system, and even cause the blackout. Energy management design is needed for electric vehicles charging stations to obtain optimal power flow model between charging station and grid. This research will be designed an analysis and design of optimal charging by considering estimated power flow between charging station with the grid and load conditions on the grid (off-peak / peak using fuzzy logic controller. This charging management uses the concept vehicle to vehicle (V2V, vehicle to grid (V2G, and the grid to vehicle (G2V which adjust by charging index and charging rate results from rule fuzzy scoring result. The simulation results show that the fuzzy-based system can flatten the load curve peak of electric vehicle, reducing the impact of peak load to the grid, and can provide cost advantages in the form of cost saving.

  8. Power control based on particle swarm optimization of grid-connected inverter for hybrid renewable energy system

    International Nuclear Information System (INIS)

    García-Triviño, Pablo; Gil-Mena, Antonio José; Llorens-Iborra, Francisco; García-Vázquez, Carlos Andrés; Fernández-Ramírez, Luis M.; Jurado, Francisco

    2015-01-01

    Highlights: • Three PSO-based PI controllers for a grid-connected inverter were presented. • Two online PSO-based PI controllers were compared with an offline PSO-tuned PI. • The HRES and the inverter were evaluated under power changes and grid voltage sags. • Online ITAE-based PSO reduced ITAE (current THD) by 15.24% (5.32%) versus offline one. - Abstract: This paper is focused on the study of particle swarm optimization (PSO)-based PI controllers for the power control of a grid-connected inverter supplied from a hybrid renewable energy system. It is composed of two renewable energy sources (wind turbine and photovoltaic – PV – solar panels) and two energy storage systems (battery and hydrogen system, integrated by fuel cell and electrolyzer). Three PSO-based PI controllers are implemented: (1) conventional PI controller with offline tuning by PSO algorithm based on the integral time absolute error (ITAE) index; (2) PI controllers with online self-tuning by PSO algorithm based on the error; and (3) PI controllers with online self-tuning by PSO algorithm based on the ITAE index. To evaluate and compare the three controllers, the hybrid renewable energy system and the grid-connected inverter are simulated under changes in the active and reactive power values, as well as under a grid voltage sag. The results show that the online PSO-based PI controllers that optimize the ITAE index achieves the best response

  9. Application of synchronous grid-connected controller in the wind-solar-storage micro grid

    OpenAIRE

    Li, Hua; Ren, Yongfeng; Li, Le; Luo, Zhenpeng

    2016-01-01

    Recently, there has been an increasing interest in using distributed generators (DG) not only to inject power into the grid, but also to enhance the power quality. In this study, a space voltage pulse width modulation (SVPWM) control method is proposed for a synchronous grid-connected controller in a wind-solar-storage micro grid. This method is based on the appropriate topology of the synchronous controller. The wind-solar-storage micro grid is controlled to reconnect to the grid synchronous...

  10. Modeling and Control of a DFIG-Based Wind Turbine During a Grid Voltage Drop

    Directory of Open Access Journals (Sweden)

    M. Shahabi

    2011-10-01

    Full Text Available Doubly-fed induction generators (DFIG are widely used in wind energy generation systems. During a grid voltage drop, performance is degraded with rotor over current deteriorating the fault-ride through (FRT capability of the DFIG wind-energy generation system. In this paper, a complete mathematical DFIG model is proposed. The rotor is considered fed by a voltage source converter whereas the stator is connected to the grid directly. Output power and electromagnetic torque are controlled using field-oriented control (FOC. Simulation results show the efficiency of the controller in exploiting the maximum power of wind.

  11. On the Sensitivity of Peptide Nucleic Acid Duplex Formation and Crystal Dissolution to a Variation of Force-Field Parameters.

    Science.gov (United States)

    Bachmann, Stephan J; Lin, Zhixiong; Stafforst, Thorsten; van Gunsteren, Wilfred F; Dolenc, Jožica

    2014-01-14

    The technique of one-step perturbation to explore the relation between particular force-field parameters on the one hand and particular properties of a biomolecular system on the other hand from one or a few molecular dynamics simulations is applied to investigate the dependence of the free enthalpy of dimer formation and of crystal dissolution of a self-complementary fragment (H-CGTACG-NH2) of peptide nucleic acid, PNA, a mimic of DNA. The simulations show that PNA dimer formation in aqueous solution is favored by a decrease in the base charges with respect to values of the GROMOS 45A4 force field, while it is disfavored by a decrease in the backbone charges. In contrast, crystal dissolution of the PNA dimer is favored by a decrease in base charges, while a variation of backbone charges has a minor effect on this free enthalpy change. These opposite effects in a crystalline versus aqueous solution environment can be understood from the different water contents for these systems and have consequences for biomolecular force-field development.

  12. SHOP: scaffold hopping by GRID-based similarity searches

    DEFF Research Database (Denmark)

    Bergmann, Rikke; Linusson, Anna; Zamora, Ismael

    2007-01-01

    A new GRID-based method for scaffold hopping (SHOP) is presented. In a fully automatic manner, scaffolds were identified in a database based on three types of 3D-descriptors. SHOP's ability to recover scaffolds was assessed and validated by searching a database spiked with fragments of known...... scaffolds were in the 31 top-ranked scaffolds. SHOP also identified new scaffolds with substantially different chemotypes from the queries. Docking analysis indicated that the new scaffolds would have similar binding modes to those of the respective query scaffolds observed in X-ray structures...

  13. Environmental applications based on GIS and GRID technologies

    Science.gov (United States)

    Demontis, R.; Lorrai, E.; Marrone, V. A.; Muscas, L.; Spanu, V.; Vacca, A.; Valera, P.

    2009-04-01

    In the last decades, the collection and use of environmental data has enormously increased in a wide range of applications. Simultaneously, the explosive development of information technology and its ever wider data accessibility have made it possible to store and manipulate huge quantities of data. In this context, the GRID approach is emerging worldwide as a tool allowing to provision a computational task with administratively-distant resources. The aim of this paper is to present three environmental applications (Land Suitability, Desertification Risk Assessment, Georesources and Environmental Geochemistry) foreseen within the AGISGRID (Access and query of a distributed GIS/Database within the GRID infrastructure, http://grida3.crs4.it/enginframe/agisgrid/index.xml) activities of the GRIDA3 (Administrator of sharing resources for data analysis and environmental applications, http://grida3.crs4.it) project. This project, co-funded by the Italian Ministry of research, is based on the use of shared environmental data through GRID technologies and accessible by a WEB interface, aimed at public and private users in the field of environmental management and land use planning. The technologies used for AGISGRID include: - the client-server-middleware iRODS™ (Integrated Rule-Oriented Data System) (https://irods.org); - the EnginFrame system (http://www.nice-italy.com/main/index.php?id=32), the grid portal that supplies a frame to make available, via Intranet/Internet, the developed GRID applications; - the software GIS GRASS (Geographic Resources Analysis Support System) (http://grass.itc.it); - the relational database PostgreSQL (http://www.posgresql.org) and the spatial database extension PostGis; - the open source multiplatform Mapserver (http://mapserver.gis.umn.edu), used to represent the geospatial data through typical WEB GIS functionalities. Three GRID nodes are directly involved in the applications: the application workflow is implemented at the CRS4 (Pula

  14. Active Power Quality Improvement Strategy for Grid-connected Microgrid Based on Hierarchical Control

    DEFF Research Database (Denmark)

    Wei, Feng; Sun, Kai; Guan, Yajuan

    2018-01-01

    proposes an active, unbalanced, and harmonic GCC suppression strategy based on hierarchical theory. The voltage error between the bus of the DCGC-MG and the grid’s PCC was transformed to the dq frame. On the basis of the grid, an additional compensator, which consists of multiple resonant voltage......When connected to a distorted grid utility, droop-controlled grid-connected microgrids (DCGC-MG) exhibit low equivalent impedance. The harmonic and unbalanced voltage at the point of common coupling (PCC) deteriorates the power quality of the grid-connected current (GCC) of DCGC-MG. This work...... regulators, was then added to the original secondary control to generate the negative fundamental and unbalanced harmonic voltage reference. Proportional integral and multiple resonant controllers were adopted as voltage controller at the original primary level to improve the voltage tracking performance...

  15. Operation of an InGrid based X-ray detector at the CAST experiment

    Directory of Open Access Journals (Sweden)

    Krieger Christoph

    2018-01-01

    During operation at the experiment, background rates in the order of 10−5 keV−1 cm−2 s−1 have been achieved by application of a likelihood based method discriminating the non-photon background originating mostly from cosmic rays. For continued operation in 2016, an upgraded InGrid based detector is to be installed among other improvements including decoupling and sampling of the signal induced on the grid as well as a veto scintillator to further lower the observed background rates and improving sensitivity.

  16. Air Pollution Monitoring and Mining Based on Sensor Grid in London

    Science.gov (United States)

    Ma, Yajie; Richards, Mark; Ghanem, Moustafa; Guo, Yike; Hassard, John

    2008-01-01

    In this paper, we present a distributed infrastructure based on wireless sensors network and Grid computing technology for air pollution monitoring and mining, which aims to develop low-cost and ubiquitous sensor networks to collect real-time, large scale and comprehensive environmental data from road traffic emissions for air pollution monitoring in urban environment. The main informatics challenges in respect to constructing the high-throughput sensor Grid are discussed in this paper. We present a two-layer network framework, a P2P e-Science Grid architecture, and the distributed data mining algorithm as the solutions to address the challenges. We simulated the system in TinyOS to examine the operation of each sensor as well as the networking performance. We also present the distributed data mining result to examine the effectiveness of the algorithm. PMID:27879895

  17. Air Pollution Monitoring and Mining Based on Sensor Grid in London

    Directory of Open Access Journals (Sweden)

    John Hassard

    2008-06-01

    Full Text Available In this paper, we present a distributed infrastructure based on wireless sensors network and Grid computing technology for air pollution monitoring and mining, which aims to develop low-cost and ubiquitous sensor networks to collect real-time, large scale and comprehensive environmental data from road traffic emissions for air pollution monitoring in urban environment. The main informatics challenges in respect to constructing the high-throughput sensor Grid are discussed in this paper. We present a twolayer network framework, a P2P e-Science Grid architecture, and the distributed data mining algorithm as the solutions to address the challenges. We simulated the system in TinyOS to examine the operation of each sensor as well as the networking performance. We also present the distributed data mining result to examine the effectiveness of the algorithm.

  18. Indonesia - Green Prosperity: Community-Based Off-Grid Renewable Energy Grant Portfolio

    Data.gov (United States)

    Millennium Challenge Corporation — Taken as a whole, this evaluation aims, to the extent possible, to validate the program logic underlying the portfolio of community-based off-grid renewable energy...

  19. Nuclear reactor seismic fuel assembly grid

    International Nuclear Information System (INIS)

    Anthony, A.J.

    1977-01-01

    The strength of a nuclear reactor fuel assembly is enhanced by increasing the crush strength of the zircaloy spacer grids which locate and support the fuel elements in the fuel assembly. Increased resistance to deformation as a result of laterally directed forces is achieved by increasing the section modulus of the perimeter strip through bending the upper and lower edges thereof inwardly. The perimeter strip is further rigidized by forming, in the central portion thereof, dimples which extend inwardly with respect to the fuel assembly. The integrity of the spacer grid may also be enhanced by providing back-up arches for some or all of the integral fuel element locating springs and the strength of the fuel assembly may be further enhanced by providing, intermediate its ends, a steel seismic grid. 13 claims, 6 figures

  20. Researching Refugee and Forced Migration Studies: An Introduction to the Field and the Reference Literature.

    Science.gov (United States)

    Mason, Elisa

    1999-01-01

    Describes the evolution of refugee and forced migration studies, identifies factors that render it a challenging field to research, and highlights a variety of Internet-based and other electronic resources that can be used to locate monographs, periodicals, grey literature, and current information. Provides a bibliography of reference materials in…

  1. Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hölzl, Christoph; Horinek, Dominik, E-mail: dominik.horinek@ur.de [Institut für Physikalische und Theoretische Chemie, Universität Regensburg, 93040 Regensburg (Germany); Kibies, Patrick; Frach, Roland; Kast, Stefan M., E-mail: stefan.kast@tu-dortmund.de [Physikalische Chemie III, Technische Universität Dortmund, 44227 Dortmund (Germany); Imoto, Sho, E-mail: sho.imoto@theochem.rub.de; Marx, Dominik [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum (Germany); Suladze, Saba; Winter, Roland [Physikalische Chemie I, Technische Universität Dortmund, 44227 Dortmund (Germany)

    2016-04-14

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  2. Design principles for high-pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures.

    Science.gov (United States)

    Hölzl, Christoph; Kibies, Patrick; Imoto, Sho; Frach, Roland; Suladze, Saba; Winter, Roland; Marx, Dominik; Horinek, Dominik; Kast, Stefan M

    2016-04-14

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures--while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute's response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  3. Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

    International Nuclear Information System (INIS)

    Hölzl, Christoph; Horinek, Dominik; Kibies, Patrick; Frach, Roland; Kast, Stefan M.; Imoto, Sho; Marx, Dominik; Suladze, Saba; Winter, Roland

    2016-01-01

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  4. A novel proof of the DFT formula for the interatomic force field of Molecular Dynamics

    International Nuclear Information System (INIS)

    Morante, S.; Rossi, G.C.

    2017-01-01

    We give a novel and simple proof of the DFT expression for the interatomic force field that drives the motion of atoms in classical Molecular Dynamics, based on the observation that the ground state electronic energy, seen as a functional of the external potential, is the Legendre transform of the Hohenberg–Kohn functional, which in turn is a functional of the electronic density. We show in this way that the so-called Hellmann–Feynman analytical formula, currently used in numerical simulations, actually provides the exact expression of the interatomic force.

  5. A novel proof of the DFT formula for the interatomic force field of Molecular Dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Morante, S., E-mail: morante@roma2.infn.it [Dipartimento di Fisica, Università di Roma, “ Tor Vergata ”, INFN, Sezione di Roma 2, Via della Ricerca Scientifica - 00133 Roma (Italy); Rossi, G.C., E-mail: rossig@roma2.infn.it [Dipartimento di Fisica, Università di Roma, “ Tor Vergata ”, INFN, Sezione di Roma 2, Via della Ricerca Scientifica - 00133 Roma (Italy); Centro Fermi-Museo Storico della Fisica e Centro Studi e Ricerche E. Fermi, Compendio del Viminale, Piazza del Viminale 1, I-00184 Rome (Italy)

    2017-02-15

    We give a novel and simple proof of the DFT expression for the interatomic force field that drives the motion of atoms in classical Molecular Dynamics, based on the observation that the ground state electronic energy, seen as a functional of the external potential, is the Legendre transform of the Hohenberg–Kohn functional, which in turn is a functional of the electronic density. We show in this way that the so-called Hellmann–Feynman analytical formula, currently used in numerical simulations, actually provides the exact expression of the interatomic force.

  6. Quantum mechanical force field for water with explicit electronic polarization.

    Science.gov (United States)

    Han, Jaebeom; Mazack, Michael J M; Zhang, Peng; Truhlar, Donald G; Gao, Jiali

    2013-08-07

    A quantum mechanical force field (QMFF) for water is described. Unlike traditional approaches that use quantum mechanical results and experimental data to parameterize empirical potential energy functions, the present QMFF uses a quantum mechanical framework to represent intramolecular and intermolecular interactions in an entire condensed-phase system. In particular, the internal energy terms used in molecular mechanics are replaced by a quantum mechanical formalism that naturally includes electronic polarization due to intermolecular interactions and its effects on the force constants of the intramolecular force field. As a quantum mechanical force field, both intermolecular interactions and the Hamiltonian describing the individual molecular fragments can be parameterized to strive for accuracy and computational efficiency. In this work, we introduce a polarizable molecular orbital model Hamiltonian for water and for oxygen- and hydrogen-containing compounds, whereas the electrostatic potential responsible for intermolecular interactions in the liquid and in solution is modeled by a three-point charge representation that realistically reproduces the total molecular dipole moment and the local hybridization contributions. The present QMFF for water, which is called the XP3P (explicit polarization with three-point-charge potential) model, is suitable for modeling both gas-phase clusters and liquid water. The paper demonstrates the performance of the XP3P model for water and proton clusters and the properties of the pure liquid from about 900 × 10(6) self-consistent-field calculations on a periodic system consisting of 267 water molecules. The unusual dipole derivative behavior of water, which is incorrectly modeled in molecular mechanics, is naturally reproduced as a result of an electronic structural treatment of chemical bonding by XP3P. We anticipate that the XP3P model will be useful for studying proton transport in solution and solid phases as well as across

  7. A simulation methodology of spacer grid residual spring deflection for predictive and interpretative purposes

    International Nuclear Information System (INIS)

    Kim, K. T.; Kim, H. K.; Yoon, K. H.

    1994-01-01

    The in-reactor fuel rod support conditions against the fretting wear-induced damage can be evaluated by spacer grid residual spring deflection. In order to predict the spacer grid residual spring deflection as a function of burnup for various spring designs, a simulation methodology of spacer grid residual spring deflection has been developed and implemented in the GRIDFORCE program. The simulation methodology takes into account cladding creep rate, initial spring deflection, initial spring force, and spring force relaxation rate as the key parameters affecting the residual spring deflection. The simulation methodology developed in this study can be utilized as an effective tool in evaluating the capability of a newly designed spacer grid spring to prevent the fretting wear-induced damage

  8. Discrete Adjoint-Based Design Optimization of Unsteady Turbulent Flows on Dynamic Unstructured Grids

    Science.gov (United States)

    Nielsen, Eric J.; Diskin, Boris; Yamaleev, Nail K.

    2009-01-01

    An adjoint-based methodology for design optimization of unsteady turbulent flows on dynamic unstructured grids is described. The implementation relies on an existing unsteady three-dimensional unstructured grid solver capable of dynamic mesh simulations and discrete adjoint capabilities previously developed for steady flows. The discrete equations for the primal and adjoint systems are presented for the backward-difference family of time-integration schemes on both static and dynamic grids. The consistency of sensitivity derivatives is established via comparisons with complex-variable computations. The current work is believed to be the first verified implementation of an adjoint-based optimization methodology for the true time-dependent formulation of the Navier-Stokes equations in a practical computational code. Large-scale shape optimizations are demonstrated for turbulent flows over a tiltrotor geometry and a simulated aeroelastic motion of a fighter jet.

  9. Sources of spurious force oscillations from an immersed boundary method for moving-body problems

    Science.gov (United States)

    Lee, Jongho; Kim, Jungwoo; Choi, Haecheon; Yang, Kyung-Soo

    2011-04-01

    When a discrete-forcing immersed boundary method is applied to moving-body problems, it produces spurious force oscillations on a solid body. In the present study, we identify two sources of these force oscillations. One source is from the spatial discontinuity in the pressure across the immersed boundary when a grid point located inside a solid body becomes that of fluid with a body motion. The addition of mass source/sink together with momentum forcing proposed by Kim et al. [J. Kim, D. Kim, H. Choi, An immersed-boundary finite volume method for simulations of flow in complex geometries, Journal of Computational Physics 171 (2001) 132-150] reduces the spurious force oscillations by alleviating this pressure discontinuity. The other source is from the temporal discontinuity in the velocity at the grid points where fluid becomes solid with a body motion. The magnitude of velocity discontinuity decreases with decreasing the grid spacing near the immersed boundary. Four moving-body problems are simulated by varying the grid spacing at a fixed computational time step and at a constant CFL number, respectively. It is found that the spurious force oscillations decrease with decreasing the grid spacing and increasing the computational time step size, but they depend more on the grid spacing than on the computational time step size.

  10. The growth of the concept of forces and fields

    International Nuclear Information System (INIS)

    Mukherji, Visvapriya

    1979-01-01

    The history and development of the concept of forces and fields in nature as was existing since two millenia ago to the ones that are being proposed and modified in the present day schools of field theorists have been traced. The concepts of Aristotle, Galileo, Democritus, Roemer, Newton, etc. which are considered classical in nature are outlined. The modern idea of field theories which owes its origin to the hypothesis propounded by Euler and the later developments by Laplace, Kelvin and Maxwell are described. Finally, Einstein's theory of relativity which projected a very novel interpretation of the gravitational field has also been explained in brief. Some of the hitherto unanswered questions in the field are also posed. (K.B.)

  11. The effect of the fuel rod friction force to the fuel assembly lateral mechanical characteristics

    International Nuclear Information System (INIS)

    Ha, Dong Geun; Jeon, Sang Youn; Suh, Jung Min

    2012-01-01

    The Fuel Assembly (FA) for light water reactor consists of hundreds of fuel rods, guide tubes, spacer grids, top/bottom nozzles. The guide tubes transmit vertical loads between the top and bottom nozzles, position the fuel rod support grids vertically, react the loads from the fuel rods that are applied to the grids, and provide some of the lateral load capability for the overall fuel assembly. The guide tubes are the structural members of the skeleton assembly. And the spacer grids maintain the fuel rod array by providing positive lateral restraint to the fuel rod but only frictional restraint in the axial direction. Figure 1 shows the outline of skeleton, FA and the location of guide tubes in the view of cross section. 17x17 FA has 24 guide tubes and one instrumentation tube. When the FA is in reactor, the lateral stiffness is one of very important factors from the view point of in reactor integrity of fuel assembly such as guarantee of the cool able geometry, the control rod insertion etc. The lateral stiffness of FA is mainly determined by skeleton lateral stiffness. And the fuel rods loaded in the spacer grids reinforce the FA lateral stiffness. Generally, fuel rods and spacer grids create the nonlinear friction force between fuel rod tube and grid spring/dimple against external lateral force of FA. Thus, it is necessary to study the contribution of the fuel rods friction force to the FA lateral stiffness. So, this paper is to show how much amount of the fuel rod grid interaction contributes to the FA lateral stiffness based on the test results

  12. A comparative analysis of dynamic grids vs. virtual grids using the A3pviGrid framework.

    Science.gov (United States)

    Shankaranarayanan, Avinas; Amaldas, Christine

    2010-11-01

    With the proliferation of Quad/Multi-core micro-processors in mainstream platforms such as desktops and workstations; a large number of unused CPU cycles can be utilized for running virtual machines (VMs) as dynamic nodes in distributed environments. Grid services and its service oriented business broker now termed cloud computing could deploy image based virtualization platforms enabling agent based resource management and dynamic fault management. In this paper we present an efficient way of utilizing heterogeneous virtual machines on idle desktops as an environment for consumption of high performance grid services. Spurious and exponential increases in the size of the datasets are constant concerns in medical and pharmaceutical industries due to the constant discovery and publication of large sequence databases. Traditional algorithms are not modeled at handing large data sizes under sudden and dynamic changes in the execution environment as previously discussed. This research was undertaken to compare our previous results with running the same test dataset with that of a virtual Grid platform using virtual machines (Virtualization). The implemented architecture, A3pviGrid utilizes game theoretic optimization and agent based team formation (Coalition) algorithms to improve upon scalability with respect to team formation. Due to the dynamic nature of distributed systems (as discussed in our previous work) all interactions were made local within a team transparently. This paper is a proof of concept of an experimental mini-Grid test-bed compared to running the platform on local virtual machines on a local test cluster. This was done to give every agent its own execution platform enabling anonymity and better control of the dynamic environmental parameters. We also analyze performance and scalability of Blast in a multiple virtual node setup and present our findings. This paper is an extension of our previous research on improving the BLAST application framework

  13. Trends in life science grid: from computing grid to knowledge grid

    Directory of Open Access Journals (Sweden)

    Konagaya Akihiko

    2006-12-01

    Full Text Available Abstract Background Grid computing has great potential to become a standard cyberinfrastructure for life sciences which often require high-performance computing and large data handling which exceeds the computing capacity of a single institution. Results This survey reviews the latest grid technologies from the viewpoints of computing grid, data grid and knowledge grid. Computing grid technologies have been matured enough to solve high-throughput real-world life scientific problems. Data grid technologies are strong candidates for realizing "resourceome" for bioinformatics. Knowledge grids should be designed not only from sharing explicit knowledge on computers but also from community formulation for sharing tacit knowledge among a community. Conclusion Extending the concept of grid from computing grid to knowledge grid, it is possible to make use of a grid as not only sharable computing resources, but also as time and place in which people work together, create knowledge, and share knowledge and experiences in a community.

  14. Pulsed Electron Source with Grid Plasma Cathode and Longitudinal Magnetic Field for Modification of Material and Product Surfaces

    Science.gov (United States)

    Devyatkov, V. N.; Koval, N. N.

    2018-01-01

    The description and the main characteristics of the pulsed electron source "SOLO" developed on the basis of the plasma cathode with grid stabilization of the emission plasma boundary are presented. The emission plasma is generated by a low-pressure arc discharge, and that allows to form the dense low-energy electron beam with a wide range of independently adjustable parameters of beam current pulses (pulse duration of 20-250 μs, pulse repetition rate of 1-10 s-1, amplitude of beam current pulses of 20-300 A, and energy of beam electrons of 5-25 keV). The special features of generation of emission plasma by constricted low-pressure arc discharge in the grid plasma cathode partially dipped into a non-uniform magnetic field and of formation and transportation of the electron beam in a longitudinal magnetic field are considered. The application area of the electron source and technologies realized with its help are specified.

  15. Smart Solar Grid. Integration of high penetration of photovoltaic in municipal low voltage distribution grids; Smart Solar Grid. Integration hoher Anteile von Photovoltaik in kommunalen Niederspannungsverteilnetzen

    Energy Technology Data Exchange (ETDEWEB)

    Ruf, Holger; Heilscher, Gerd [Hochschule Ulm (Germany); Meier, Florian [SWU Netze GmbH, Ulm (Germany)

    2012-07-01

    The high rate of decentralized generation in low voltage grids especially photovoltaic (PV) put the distribution grid operators to new challenges. Grid operation and grid planning have to respect the volatility and dynamic of decentralized generation now and in the future and adapt their previous proceedings. In the frame of the project Smart Solar Grid was a test site defined in the grid area of the DSO Stadtwerke Ulm/Neu-Ulm GmbH (SWU) to analyze the impact of the PV rise and possible solutions for the grid planning in the future. The first analysis based upon secondly measurements of the first test site. From this were statistical evaluation of the load flows and power variations done. Furthermore were the roof potential analysis results of the test site validated. These data are the base for the development of a forecast system for grid condition parameter. (orig.)

  16. Calculation of the radiation force on a cylinder in a standing wave acoustic field

    Energy Technology Data Exchange (ETDEWEB)

    Haydock, David [Unilever R and D Colworth, Sharnbrook, Bedford MK44 1LQ (United Kingdom); Department of Physics, Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom)

    2005-04-15

    We present a new calculation of the radiation force on a cylinder in a standing wave acoustic field. We use the formula to calculate the force on a cylinder which is free to move in the field and one which is fixed in space.

  17. Calculation of the radiation force on a cylinder in a standing wave acoustic field

    International Nuclear Information System (INIS)

    Haydock, David

    2005-01-01

    We present a new calculation of the radiation force on a cylinder in a standing wave acoustic field. We use the formula to calculate the force on a cylinder which is free to move in the field and one which is fixed in space

  18. Micro grids toward the smart grid

    International Nuclear Information System (INIS)

    Guerrero, J.

    2011-01-01

    Worldwide electrical grids are expecting to become smarter in the near future, with interest in Microgrids likely to grow. A microgrid can be defined as a part of the grid with elements of prime energy movers, power electronics converters, distributed energy storage systems and local loads, that can operate autonomously but also interacting with main grid. Thus, the ability of intelligent Microgrids to operate in island mode or connected to the grid will be a keypoint to cope with new functionalities and the integration of renewable energy resources. The functionalities expected for these small grids are: black start operation, frequency and voltage stability, active and reactive power flow control, active power filter capabilities, and storage energy management. In this presentation, a review of the main concepts related to flexible Microgrids will be introduced, with examples of real Microgrids. AC and DC Microgrids to integrate renewable and distributed energy resources will also be presented, as well as distributed energy storage systems, and standardization issues of these Microgrids. Finally, Microgrid hierarchical control will be analyzed looking at three different levels: i) a primary control based on the droop method, including an output impedance virtual loop; ii) a secondary control, which enables restoring any deviations produced by the primary control; and iii) a tertiary control to manage the power flow between the microgrid and the external electrical distribution system.

  19. Modelling security properties in a grid-based operating system with anti-goals

    OpenAIRE

    Arenas, A.; Aziz, Benjamin; Bicarregui, J.; Matthews, B.; Yang, E.

    2008-01-01

    In this paper, we discuss the use of formal requirements-engineering techniques in capturing security requirements for a Grid-based operating system. We use KAOS goal model to represent two security goals for Grid systems, namely authorisation and single-sign on authentication. We apply goal-refinement to derive security requirements for these two security goals and we develop a model of antigoals and show how system vulnerabilities and threats to the security goals can arise from such anti-m...

  20. Three-dimensional computation of magnetic fields and Lorentz forces of an LHC dipole magnet

    International Nuclear Information System (INIS)

    Daum, C.; Avest, D. ter

    1989-07-01

    Magnetic fields and Lorentz forces of an LHC dipole magnet are calculated using the method of image currents to represent the effect of the iron shield. The calculation is performed for coils of finite length using a parametrization for coil heads of constant perimeter. A comparison with calculations based on POISSON and TOSCA is made. (author). 5 refs.; 31 figs.; 6 tabs

  1. Mechanical test for fuel assembly spacer grid

    International Nuclear Information System (INIS)

    Kang, Heung Seok; Jeong, Yeon Ho; Song, Kee Nam; Kim, Hyung Kyu; Yoon, Kyung Ho; Bang, Je Keun.

    1997-06-01

    In order to propose some tests for a new spacer grid, the grid mechanical tests performed by ABB-CE, KWU and Westinghouse have been investigated. It is known that a static compression test, a dynamic impact test, and a grid spring characteristic test were commonly carried out by the vendors when a prototype spacer grid was developed. The static compression test is to measure the stresses on the strips as well as to obtain the grid stiffness. The dynamic impact test is to get some basic data for accident analysis such as impact stiffness, impact strength, and coefficient of restitution. Since each fuel vendor has his theory on an accident analysis, every vendor employs his particular method for the dynamic impact test. The dynamic impact test can be divided into two in accordance with the number of impact face, and the duration of impact pulse. One is an one-sided impact test and the other is an through-gird impact test. The duration of the impact pulse for the former is considerably shorter than the latter. Therefore, the grid can endure much higher load under the one-sided impact condition than under the through-grid impact condition. The grid spring characteristic test is to obtain a force versus deflection curve. This curve is very important in designing the spacer grid to provide fuel rods with a sound supports in core. (author). 18 tabs., 26 figs

  2. Development of Numerical Grids for UZ Flow and Transport Modeling

    International Nuclear Information System (INIS)

    Hinds, J.

    2001-01-01

    This Analysis/Model Report (AMR) describes the methods used to develop numerical grids of the unsaturated hydrogeologic system beneath Yucca Mountain. Numerical grid generation is an integral part of the development of a complex, three-dimensional (3-D) model, such as the Unsaturated-Zone Flow and Transport Model (UZ Model) of Yucca Mountain. The resulting numerical grids, developed using current geologic, hydrogeologic, and mineralogic data, provide the necessary framework to: (1) develop calibrated hydrogeologic property sets and flow fields, (2) test conceptual hypotheses of flow and transport, and (3) predict flow and transport behavior under a variety of climatic and thermal loading conditions. Revision 00 of the work described herein follows the planning and work direction outlined in the ''Development of Numerical Grids for UZ Flow and Transport Modeling'' (CRWMS M and O 1999c). The technical scope, content, and management of ICN 01 of this AMR is currently controlled by the planning document, ''Technical Work Plan for Unsaturated Zone (UZ) Flow and Transport Process Model Report'' (BSC 2001a). The scope for the TBV resolution actions in this ICN is described in the ''Technical Work Plan for: Integrated Management of Technical Product Input Department'' (BSC 2001 b, Addendum B, Section 4.1). The steps involved in numerical grid development include: (1) defining the location of important calibration features, (2) determining model grid layers and fault geometry based on the Geologic Framework Model (GFM), the Integrated Site Model (ISM), and definition of hydrogeologic units (HGUs), (3) analyzing and extracting GFM and ISM data pertaining to layer contacts and property distributions, (4) discretizing and refining the two-dimensional (2-D), plan-view numerical grid, (5) generating the 3-D grid with finer resolution at the repository horizon and within the Calico Hills nonwelded (CHn) hydrogeologic unit, and (6) formulating the dual-permeability mesh. The

  3. Grid-based virtual clinic for medical diagnosis tutoring | Yatchou ...

    African Journals Online (AJOL)

    La réalisation visée est un outil collaboratif d\\'enseignement pour les médecins du terrain et les étudiants en médecine au sein d\\'une organisation virtuelle. The emerging grid-based technologies are increasingly adopted to enhance education and provide better learning services. This is characterized all over the world, ...

  4. Thyristor based short circuit current injection in isolated grids

    OpenAIRE

    Hoff, Bjarte; Sharma, Pawan; Østrem, Trond

    2017-01-01

    This paper proposes a thyristor based short circuit current injector for providing short circuit current in isolated and weak grids, where sufficient fault current to trigger circuit breakers may not be available. This will allow the use of conventional miniature circuit breakers, which requires high fault current for instantaneous tripping. The method has been validated through experiments.

  5. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    Science.gov (United States)

    Fan, Zhaochuan; Koster, Rik S.; Wang, Shuaiwei; Fang, Changming; Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W.; van Huis, Marijn A.; Vlugt, Thijs J. H.

    2014-12-01

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., "Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth," Nano Lett. 14, 3661-3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  6. A transferable force field for CdS-CdSe-PbS-PbSe solid systems

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Zhaochuan; Vlugt, Thijs J. H., E-mail: t.j.h.vlugt@tudelft.nl [Process and Energy Department, Delft University of Technology, Leeghwaterstraat 39, 2628 CB Delft,The Netherlands (Netherlands); Koster, Rik S.; Fang, Changming; Huis, Marijn A. van [Debye Institute for Nanomaterials Science and Center for Extreme Matter and Emergent Phenomena, Utrecht University, Princetonplein 5, 3584 CC Utrecht (Netherlands); Wang, Shuaiwei [Institute of Nanostructured Functional Materials, Huanghe Science and Technology College, Zhengzhou, Henan 450006 (China); Yalcin, Anil O.; Tichelaar, Frans D.; Zandbergen, Henny W. [Kavli Institute of Nanoscience, Delft University of Technology, Lorentzweg 1, 2628 CJ Delft (Netherlands)

    2014-12-28

    A transferable force field for the PbSe-CdSe solid system using the partially charged rigid ion model has been successfully developed and was used to study the cation exchange in PbSe-CdSe heteronanocrystals [A. O. Yalcin et al., “Atomic resolution monitoring of cation exchange in CdSe-PbSe heteronanocrystals during epitaxial solid-solid-vapor growth,” Nano Lett. 14, 3661–3667 (2014)]. In this work, we extend this force field by including another two important binary semiconductors, PbS and CdS, and provide detailed information on the validation of this force field. The parameterization combines Bader charge analysis, empirical fitting, and ab initio energy surface fitting. When compared with experimental data and density functional theory calculations, it is shown that a wide range of physical properties of bulk PbS, PbSe, CdS, CdSe, and their mixed phases can be accurately reproduced using this force field. The choice of functional forms and parameterization strategy is demonstrated to be rational and effective. This transferable force field can be used in various studies on II-VI and IV-VI semiconductor materials consisting of CdS, CdSe, PbS, and PbSe. Here, we demonstrate the applicability of the force field model by molecular dynamics simulations whereby transformations are initiated by cation exchange.

  7. Grid interoperability: joining grid information systems

    International Nuclear Information System (INIS)

    Flechl, M; Field, L

    2008-01-01

    A grid is defined as being 'coordinated resource sharing and problem solving in dynamic, multi-institutional virtual organizations'. Over recent years a number of grid projects, many of which have a strong regional presence, have emerged to help coordinate institutions and enable grids. Today, we face a situation where a number of grid projects exist, most of which are using slightly different middleware. Grid interoperation is trying to bridge these differences and enable Virtual Organizations to access resources at the institutions independent of their grid project affiliation. Grid interoperation is usually a bilateral activity between two grid infrastructures. Recently within the Open Grid Forum, the Grid Interoperability Now (GIN) Community Group is trying to build upon these bilateral activities. The GIN group is a focal point where all the infrastructures can come together to share ideas and experiences on grid interoperation. It is hoped that each bilateral activity will bring us one step closer to the overall goal of a uniform grid landscape. A fundamental aspect of a grid is the information system, which is used to find available grid services. As different grids use different information systems, interoperation between these systems is crucial for grid interoperability. This paper describes the work carried out to overcome these differences between a number of grid projects and the experiences gained. It focuses on the different techniques used and highlights the important areas for future standardization

  8. Smart grids in the Grenoble area

    International Nuclear Information System (INIS)

    2016-04-01

    Grenoble-Isere combines a long history of leadership in the energy industry with world-class scientific research in the fields of hydropower, nuclear energy, hydrogen and fuel cells, making it an international hub for developments in new energy technologies. Grenoble-Isere is also home to unrivalled expertise in IT, with: - Industry-leading expertise in software (from embedded software to networks); - A strong track record in the fabrication of sophisticated electronic components to regulate energy production and consumption. A Chair for Industrial Excellence in Smart Grids was established in 2012 in Grenoble in recognition of the city's academic and research programs in this exciting field. This document presents: 1 - Smart grids: specificities, challenges, context (What exactly are we talking about? Smart grids, keystone of the energy transition. A very propitious context. The French context: strong public sector support); 2 - Smart grids in the Grenoble area (A local ecosystem favorable to the smart grids dynamic. Expertise in energy and digital technologies at the serving smart grids. New Energy Technologies: a strong positioning in hydroelectricity and the hydrogen energy vector); 3 - Unique to the Grenoble area: scientific and partnership expertise (Electrical and digital engineering: two essential disciplines. Numerous public/private partnerships for the research and experimentation phase. Moving from experimental stages into true industrialization); Appendix 1: Fact sheet on high profile corporations; Appendix 2: Company lists

  9. A Generic Danish Distribution Grid Model for Smart Grid Technology Testing

    DEFF Research Database (Denmark)

    Cha, Seung-Tae; Wu, Qiuwei; Østergaard, Jacob

    2012-01-01

    This paper describes the development of a generic Danish distribution grid model for smart grid technology testing based on the Bornholm power system. The frequency dependent network equivalent (FDNE) method has been used in order to accurately preserve the desired properties and characteristics...... as a generic Smart Grid benchmark model for testing purposes....... by comparing the transient response of the original Bornholm power system model and the developed generic model under significant fault conditions. The results clearly show that the equivalent generic distribution grid model retains the dynamic characteristics of the original system, and can be used...

  10. A Novel Quad Harmony Search Algorithm for Grid-Based Path Finding

    Directory of Open Access Journals (Sweden)

    Saso Koceski

    2014-09-01

    Full Text Available A novel approach to the problem of grid-based path finding has been introduced. The method is a block-based search algorithm, founded on the bases of two algorithms, namely the quad-tree algorithm, which offered a great opportunity for decreasing the time needed to compute the solution, and the harmony search (HS algorithm, a meta-heuristic algorithm used to obtain the optimal solution. This quad HS algorithm uses the quad-tree decomposition of free space in the grid to mark the free areas and treat them as a single node, which greatly improves the execution. The results of the quad HS algorithm have been compared to other meta-heuristic algorithms, i.e., ant colony, genetic algorithm, particle swarm optimization and simulated annealing, and it was proved to obtain the best results in terms of time and giving the optimal path.

  11. Flexible Mode Control of Grid Connected Wind Energy Conversion System Using Wavelet

    Directory of Open Access Journals (Sweden)

    Bhavna Jain

    2015-01-01

    Full Text Available Small wind turbine systems offer services to critical loads during grid faults and also connected back to grid in normal condition. The connection of a wind energy conversion system to the grid requires a robust phase locked loop (PLL and continuous monitoring of the grid conditions such as overvoltage, undervoltage, overfrequency, underfrequency, and grid outages. This paper describes a flexible control operation to operate a small wind turbine in both stand-alone mode via planned islanding and grid connected mode as well. In particular, a proper monitoring and control algorithm is required for transition between the modes. A wavelet based energy function is used for detection of grid disturbances as well as recovery of grid so that transition between the modes is made. To obtain good power quality LCL filter is used to reduce ripples. PLL is used for synchronization whenever mode changes from stand-alone to grid connected. Simulation results from a 10 kW wind energy conversion system are included to show the usefulness of the proposed methods. The control method is tested by generated gate pulses for single phase bridge inverter using field programmable gate array (FPGA.

  12. Smart grid: hope or hype?

    DEFF Research Database (Denmark)

    Lunde, Morten; Røpke, Inge; Heiskanen, Eva

    2016-01-01

    how their (intentional or unintentional) choices serve to create or maintain certain boundaries in smart grid development: for example, an exclusive focus on electricity within the broader context of a sustainable energy system. As serious investment starts being made in the smart grid, concepts like......The smart grid is an important but ambiguous element in the future transition of the European energy system. The current paper unpacks one influential national vision of the smart grid to identify what kinds of expectations guide the work of smart grid innovators and how the boundaries of the smart...... research and development and to attract new players into the field. A scenario process such as that demonstrated in this article can serve to articulate some of these implicit assumptions and help actors to navigate the ongoing transition. On the basis of our analysis, European policy makers might consider...

  13. Solar activity and economic fundamentals: Evidence from 12 geographically disparate power grids

    Science.gov (United States)

    Forbes, Kevin F.; St. Cyr, O. C.

    2008-10-01

    This study uses local (ground-based) magnetometer data as a proxy for geomagnetically induced currents (GICs) to address whether there is a space weather/electricity market relationship in 12 geographically disparate power grids: Eirgrid, the power grid that serves the Republic of Ireland; Scottish and Southern Electricity, the power grid that served northern Scotland until April 2005; Scottish Power, the power grid that served southern Scotland until April 2005; the power grid that serves the Czech Republic; E.ON Netz, the transmission system operator in central Germany; the power grid in England and Wales; the power grid in New Zealand; the power grid that serves the vast proportion of the population in Australia; ISO New England, the power grid that serves New England; PJM, a power grid that over the sample period served all or parts of Delaware, Maryland, New Jersey, Ohio, Pennsylvania, Virginia, West Virginia, and the District of Columbia; NYISO, the power grid that serves New York State; and the power grid in the Netherlands. This study tests the hypothesis that GIC levels (proxied by the time variation of local magnetic field measurements (dH/dt)) and electricity grid conditions are related using Pearson's chi-squared statistic. The metrics of power grid conditions include measures of electricity market imbalances, energy losses, congestion costs, and actions by system operators to restore grid stability. The results of the analysis indicate that real-time market conditions in these power grids are statistically related with the GIC proxy.

  14. Phase-lock loop of Grid-connected Voltage Source Converter under non-ideal grid condition

    DEFF Research Database (Denmark)

    Wang, Haojie; Sun, Hai; Han, Minxiao

    2015-01-01

    It is a normal practice that the DC micro-grid is connected to AC main grid through Grid-connected Voltage Source Converter (G-VSC) for voltage support. Accurate control of DC micro-grid voltage is difficult for G-VSC under unbalanced grid condition as the fundamental positive-sequence component...... and distorted system voltage the proposed PLL can accurately detect the fundamental positive-sequence component of grid voltage thus accurate control of DC micro-grid voltage can be realized....... phase information cannot be accurately tracked. Based on analysis of the cause of double-frequency ripple when unbalance exists in main grid, a phase-locked loop (PLL) detection technique is proposed. Under the conditions of unsymmetrical system voltage, varying system frequency, single-phase system...

  15. A New Family of Multilevel Grid Connected Inverters Based on Packed U Cell Topology.

    Science.gov (United States)

    Pakdel, Majid; Jalilzadeh, Saeid

    2017-09-29

    In this paper a novel packed U cell (PUC) based multilevel grid connected inverter is proposed. Unlike the U cell arrangement which consists of two power switches and one capacitor, in the proposed converter topology a lower DC power supply from renewable energy resources such as photovoltaic arrays (PV) is used as a base power source. The proposed topology offers higher efficiency and lower cost using a small number of power switches and a lower DC power source which is supplied from renewable energy resources. Other capacitor voltages are extracted from the base lower DC power source using isolated DC-DC power converters. The operation principle of proposed transformerless multilevel grid connected inverter is analyzed theoretically. Operation of the proposed multilevel grid connected inverter is verified through simulation studies. An experimental prototype using STM32F407 discovery controller board is performed to verify the simulation results.

  16. RACORO continental boundary layer cloud investigations: 1. Case study development and ensemble large-scale forcings

    Science.gov (United States)

    Vogelmann, Andrew M.; Fridlind, Ann M.; Toto, Tami; Endo, Satoshi; Lin, Wuyin; Wang, Jian; Feng, Sha; Zhang, Yunyan; Turner, David D.; Liu, Yangang; Li, Zhijin; Xie, Shaocheng; Ackerman, Andrew S.; Zhang, Minghua; Khairoutdinov, Marat

    2015-06-01

    Observation-based modeling case studies of continental boundary layer clouds have been developed to study cloudy boundary layers, aerosol influences upon them, and their representation in cloud- and global-scale models. Three 60 h case study periods span the temporal evolution of cumulus, stratiform, and drizzling boundary layer cloud systems, representing mixed and transitional states rather than idealized or canonical cases. Based on in situ measurements from the Routine AAF (Atmospheric Radiation Measurement (ARM) Aerial Facility) CLOWD (Clouds with Low Optical Water Depth) Optical Radiative Observations (RACORO) field campaign and remote sensing observations, the cases are designed with a modular configuration to simplify use in large-eddy simulations (LES) and single-column models. Aircraft measurements of aerosol number size distribution are fit to lognormal functions for concise representation in models. Values of the aerosol hygroscopicity parameter, κ, are derived from observations to be 0.10, which are lower than the 0.3 typical over continents and suggestive of a large aerosol organic fraction. Ensemble large-scale forcing data sets are derived from the ARM variational analysis, European Centre for Medium-Range Weather Forecasts, and a multiscale data assimilation system. The forcings are assessed through comparison of measured bulk atmospheric and cloud properties to those computed in "trial" large-eddy simulations, where more efficient run times are enabled through modest reductions in grid resolution and domain size compared to the full-sized LES grid. Simulations capture many of the general features observed, but the state-of-the-art forcings were limited at representing details of cloud onset, and tight gradients and high-resolution transients of importance. Methods for improving the initial conditions and forcings are discussed. The cases developed are available to the general modeling community for studying continental boundary clouds.

  17. RACORO Continental Boundary Layer Cloud Investigations: 1. Case Study Development and Ensemble Large-Scale Forcings

    Science.gov (United States)

    Vogelmann, Andrew M.; Fridlind, Ann M.; Toto, Tami; Endo, Satoshi; Lin, Wuyin; Wang, Jian; Feng, Sha; Zhang, Yunyan; Turner, David D.; Liu, Yangang; hide

    2015-01-01

    Observation-based modeling case studies of continental boundary layer clouds have been developed to study cloudy boundary layers, aerosol influences upon them, and their representation in cloud- and global-scale models. Three 60 h case study periods span the temporal evolution of cumulus, stratiform, and drizzling boundary layer cloud systems, representing mixed and transitional states rather than idealized or canonical cases. Based on in situ measurements from the Routine AAF (Atmospheric Radiation Measurement (ARM) Aerial Facility) CLOWD (Clouds with Low Optical Water Depth) Optical Radiative Observations (RACORO) field campaign and remote sensing observations, the cases are designed with a modular configuration to simplify use in large-eddy simulations (LES) and single-column models. Aircraft measurements of aerosol number size distribution are fit to lognormal functions for concise representation in models. Values of the aerosol hygroscopicity parameter, kappa, are derived from observations to be approximately 0.10, which are lower than the 0.3 typical over continents and suggestive of a large aerosol organic fraction. Ensemble large-scale forcing data sets are derived from the ARM variational analysis, European Centre for Medium-Range Weather Forecasts, and a multiscale data assimilation system. The forcings are assessed through comparison of measured bulk atmospheric and cloud properties to those computed in "trial" large-eddy simulations, where more efficient run times are enabled through modest reductions in grid resolution and domain size compared to the full-sized LES grid. Simulations capture many of the general features observed, but the state-of-the-art forcings were limited at representing details of cloud onset, and tight gradients and high-resolution transients of importance. Methods for improving the initial conditions and forcings are discussed. The cases developed are available to the general modeling community for studying continental boundary

  18. Demagnifying electron projection with grid masks

    International Nuclear Information System (INIS)

    Politycki, A.; Meyer, A.

    1978-01-01

    Tightly toleranced micro- and submicrostructures with smooth edges were realized by using transmission masks with an improved supporting grid (width of traverses 0.8 μm). Local edge shift due to the proximity effect is kept at a minimum. Supporting grids with stil narrower traverses (0.5 μm) were prepared by generating the grid pattern by electron beam writing. Masks of this kind allow projection at a demagnification ratio of 1:4, resulting in large image fields. (orig.) [de

  19. A nonlinear eigenvalue problem for self-similar spherical force-free magnetic fields

    Energy Technology Data Exchange (ETDEWEB)

    Lerche, I. [Institut für Geowissenschaften, Naturwissenschaftliche Fakultät III, Martin-Luther Universität, D-06099 Halle (Germany); Low, B. C. [High Altitude Observatory, National Center for Atmospheric Research, Boulder, Colorado 80307 (United States)

    2014-10-15

    An axisymmetric force-free magnetic field B(r, θ) in spherical coordinates is defined by a function r sin θB{sub φ}=Q(A) relating its azimuthal component to its poloidal flux-function A. The power law r sin θB{sub φ}=aA|A|{sup 1/n}, n a positive constant, admits separable fields with A=(A{sub n}(θ))/(r{sup n}) , posing a nonlinear boundary-value problem for the constant parameter a as an eigenvalue and A{sub n}(θ) as its eigenfunction [B. C. Low and Y. Q Lou, Astrophys. J. 352, 343 (1990)]. A complete analysis is presented of the eigenvalue spectrum for a given n, providing a unified understanding of the eigenfunctions and the physical relationship between the field's degree of multi-polarity and rate of radial decay via the parameter n. These force-free fields, self-similar on spheres of constant r, have basic astrophysical applications. As explicit solutions they have, over the years, served as standard benchmarks for testing 3D numerical codes developed to compute general force-free fields in the solar corona. The study presented includes a set of illustrative multipolar field solutions to address the magnetohydrodynamics (MHD) issues underlying the observation that the solar corona has a statistical preference for negative and positive magnetic helicities in its northern and southern hemispheres, respectively; a hemispherical effect, unchanging as the Sun's global field reverses polarity in successive eleven-year cycles. Generalizing these force-free fields to the separable form B=(H(θ,φ))/(r{sup n+2}) promises field solutions of even richer topological varieties but allowing for φ-dependence greatly complicates the governing equations that have remained intractable. The axisymmetric results obtained are discussed in relation to this generalization and the Parker Magnetostatic Theorem. The axisymmetric solutions are mathematically related to a family of 3D time-dependent ideal MHD solutions for a polytropic fluid of index γ = 4

  20. CDF experience with monte carlo production using LCG grid

    International Nuclear Information System (INIS)

    Griso, S P; Lucchesi, D; Compostella, G; Sfiligoi, I; Cesini, D

    2008-01-01

    The upgrades of the Tevatron collider and CDF detector have considerably increased the demand on computing resources, in particular for Monte Carlo production. This has forced the collaboration to move beyond the usage of dedicated resources and start exploiting the Grid. The CDF Analysis Farm (CAF) model has been reimplemented into LcgCAF in order to access Grid resources by using the LCG/EGEE middleware. Many sites in Italy and in Europe are accessed through this portal by CDF users mainly to produce Monte Carlo data but also for other analysis jobs. We review here the setup used to submit jobs to Grid sites and retrieve the output, including CDF-specific configuration of some Grid components. We also describe the batch and interactive monitor tools developed to allow users to verify the jobs status during their lifetime in the Grid environment. Finally we analyze the efficiency and typical failure modes of the current Grid infrastructure reporting the performances of different parts of the system used

  1. Neighboring Structure Visualization on a Grid-based Layout.

    Science.gov (United States)

    Marcou, G; Horvath, D; Varnek, A

    2017-10-01

    Here, we describe an algorithm to visualize chemical structures on a grid-based layout in such a way that similar structures are neighboring. It is based on structure reordering with the help of the Hilbert Schmidt Independence Criterion, representing an empirical estimate of the Hilbert-Schmidt norm of the cross-covariance operator. The method can be applied to any layout of bi- or three-dimensional shape. The approach is demonstrated on a set of dopamine D5 ligands visualized on squared, disk and spherical layouts. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Unsteady Aerodynamic Force Sensing from Measured Strain

    Science.gov (United States)

    Pak, Chan-Gi

    2016-01-01

    A simple approach for computing unsteady aerodynamic forces from simulated measured strain data is proposed in this study. First, the deflection and slope of the structure are computed from the unsteady strain using the two-step approach. Velocities and accelerations of the structure are computed using the autoregressive moving average model, on-line parameter estimator, low-pass filter, and a least-squares curve fitting method together with analytical derivatives with respect to time. Finally, aerodynamic forces over the wing are computed using modal aerodynamic influence coefficient matrices, a rational function approximation, and a time-marching algorithm. A cantilevered rectangular wing built and tested at the NASA Langley Research Center (Hampton, Virginia, USA) in 1959 is used to validate the simple approach. Unsteady aerodynamic forces as well as wing deflections, velocities, accelerations, and strains are computed using the CFL3D computational fluid dynamics (CFD) code and an MSC/NASTRAN code (MSC Software Corporation, Newport Beach, California, USA), and these CFL3D-based results are assumed as measured quantities. Based on the measured strains, wing deflections, velocities, accelerations, and aerodynamic forces are computed using the proposed approach. These computed deflections, velocities, accelerations, and unsteady aerodynamic forces are compared with the CFL3D/NASTRAN-based results. In general, computed aerodynamic forces based on the lifting surface theory in subsonic speeds are in good agreement with the target aerodynamic forces generated using CFL3D code with the Euler equation. Excellent aeroelastic responses are obtained even with unsteady strain data under the signal to noise ratio of -9.8dB. The deflections, velocities, and accelerations at each sensor location are independent of structural and aerodynamic models. Therefore, the distributed strain data together with the current proposed approaches can be used as distributed deflection

  3. Grid-enabled SEE++, A Grid-Based Medical Decision Support System for Eye Muscle Surgery Conference

    CERN Document Server

    Schreiner, W.; Buchberger, M.; Kaltofen, T.

    2006-01-01

    JKU/RISC currently develops in cooperation with Upper Austrian Research (UAR) the SEE-GRID software system. SEE-GRID is based on the SEE++ software for the biomechanical 3D simulation of the human eye and its muscles. SEE++ simulates the common eye muscle surgery techniques in a graphic interactive way that is familiar to an experienced surgeon. SEE++ is world-wide the most advanced software for this purpose; it is used by various hospitals and medical doctors for surgery training and planning, SEE++ deals with the support of diagnosis and treatment of strabismus, which is the common name given to usually persistent or regularly occuring misalignment of the eyes. Strabismus is a visual defect in which eyes point in different directions. A person suffering from it may see double images due to misaligned eyes. SEE++ is able to simulate the result of the Hess-Lancaster test, from which the pathological reason of strabismus can be estimated. The outcome of such an examination is two gaze patterns of blue points a...

  4. A framework supporting the development of a Grid portal for analysis based on ROI.

    Science.gov (United States)

    Ichikawa, K; Date, S; Kaishima, T; Shimojo, S

    2005-01-01

    In our research on brain function analysis, users require two different simultaneous types of processing: interactive processing to a specific part of data and high-performance batch processing to an entire dataset. The difference between these two types of processing is in whether or not the analysis is for data in the region of interest (ROI). In this study, we propose a Grid portal that has a mechanism to freely assign computing resources to the users on a Grid environment according to the users' two different types of processing requirements. We constructed a Grid portal which integrates interactive processing and batch processing by the following two m