WorldWideScience

Sample records for hybrid particle simulations

  1. Hybrid Simulations of Particle Acceleration at Shocks

    CERN Document Server

    Caprioli, Damiano

    2014-01-01

    We present the results of large hybrid (kinetic ions - fluid electrons) simulations of particle acceleration at non-relativistic collisionless shocks. Ion acceleration efficiency and magnetic field amplification are investigated in detail as a function of shock inclination and strength, and compared with predictions of diffusive shock acceleration theory, for shocks with Mach number up to 100. Moreover, we discuss the relative importance of resonant and Bell's instability in the shock precursor, and show that diffusion in the self-generated turbulence can be effectively parametrized as Bohm diffusion in the amplified magnetic field.

  2. Pressure calculation in hybrid particle-field simulations.

    Science.gov (United States)

    Milano, Giuseppe; Kawakatsu, Toshihiro

    2010-12-07

    In the framework of a recently developed scheme for a hybrid particle-field simulation techniques where self-consistent field (SCF) theory and particle models (molecular dynamics) are combined [J. Chem. Phys. 130, 214106 (2009)], we developed a general formulation for the calculation of instantaneous pressure and stress tensor. The expressions have been derived from statistical mechanical definition of the pressure starting from the expression for the free energy functional in the SCF theory. An implementation of the derived formulation suitable for hybrid particle-field molecular dynamics-self-consistent field simulations is described. A series of test simulations on model systems are reported comparing the calculated pressure with those obtained from standard molecular dynamics simulations based on pair potentials.

  3. Large-scale nanocomposites simulations using hybrid particle/SCFT simulations

    Science.gov (United States)

    Sides, Scott

    2009-03-01

    Preliminary results from 2D simulations of block copolymer nanocomposites (Phys. Rev. Lett. Vol 96, 250601 (2006) have been performed using a hybrid self-consistent field theory (SCFT) algorithm. While these simulation results showed that the presence of nanoparticles could induce changes in block copolymer morphologies, quantitative agreement with experiments for the particle densities at this transition are not yet possible. A feature missing in the 2D hybrid simulations is the packing behavior of real, three-dimensional spherical particles embedded in lamellar layers or hexagonally packed cylinders formed by linear diblock chains. In order to carry out these hybrid particle/SCFT 3D simulations a new object-oriented SCFT framework has been developed. The object-oriented design enables the hybrid/SCFT simulations to be performed in a framework that is both numerically efficient and sufficiently flexible to incorporate new SCFT models easily, In particular, this new framework will be used to investigate the distribution of particle positions in diblock lamellar layers as function of nanoparticle density to study the interplay of patterning due to diblock domain structure and the chain depletion interaction between spherical particles.

  4. Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics.

    Science.gov (United States)

    Petsev, Nikolai D; Leal, L Gary; Shell, M Scott

    2015-01-28

    We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gradients emerge due to differences in resolution within the total system and are reduced by introducing a pairwise thermodynamic force inside the buffer region between the two domains where particles change from MD to SDPD types. When combined with a multi-resolution SDPD approach, such as the one proposed by Kulkarni et al. [J. Chem. Phys. 138, 234105 (2013)], this method makes it possible to systematically couple atomistic models to arbitrarily coarse continuum domains modeled as SDPD fluids with varying resolution. We test this technique by showing that it correctly reproduces thermodynamic properties across the entire simulation domain for a simple Lennard-Jones fluid. Furthermore, we demonstrate that this approach is also suitable for non-equilibrium problems by applying it to simulations of the start up of shear flow. The robustness of the method is illustrated with two different flow scenarios in which shear forces act in directions parallel and perpendicular to the interface separating the continuum and atomistic domains. In both cases, we obtain the correct transient velocity profile. We also perform a triple-scale shear flow simulation where we include two SDPD regions with different resolutions in addition to a MD domain, illustrating the feasibility of a three-scale coupling.

  5. Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott [Department of Chemical Engineering, University of California at Santa Barbara, Santa Barbara, California 93106-5080 (United States)

    2015-01-28

    We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gradients emerge due to differences in resolution within the total system and are reduced by introducing a pairwise thermodynamic force inside the buffer region between the two domains where particles change from MD to SDPD types. When combined with a multi-resolution SDPD approach, such as the one proposed by Kulkarni et al. [J. Chem. Phys. 138, 234105 (2013)], this method makes it possible to systematically couple atomistic models to arbitrarily coarse continuum domains modeled as SDPD fluids with varying resolution. We test this technique by showing that it correctly reproduces thermodynamic properties across the entire simulation domain for a simple Lennard-Jones fluid. Furthermore, we demonstrate that this approach is also suitable for non-equilibrium problems by applying it to simulations of the start up of shear flow. The robustness of the method is illustrated with two different flow scenarios in which shear forces act in directions parallel and perpendicular to the interface separating the continuum and atomistic domains. In both cases, we obtain the correct transient velocity profile. We also perform a triple-scale shear flow simulation where we include two SDPD regions with different resolutions in addition to a MD domain, illustrating the feasibility of a three-scale coupling.

  6. Dynamic Particle Weight Remapping in Hybrid PIC Hall-effect Thruster Simulation

    Science.gov (United States)

    2015-05-01

    International Electric Propulsion Conference and 6th Nano-satellite Symposium Hyogo-Kobe, Japan July 410, 2015 Robert Martin∗ ERC Incorporated, Huntsville...Algorithms, . 8Koo, J. and Martin, R., Pseudospectral model for hybrid PIC Hall -eect thruster simulation, 34th Int. Electric Propul- sion Conf...Paper 3. DATES COVERED (From - To) May 2015-July 2015 4. TITLE AND SUBTITLE Dynamic Particle Weight Remapping in Hybrid PIC Hall -effect Thruster

  7. Hybrid particle-field molecular dynamics simulations for dense polymer systems.

    Science.gov (United States)

    Milano, Giuseppe; Kawakatsu, Toshihiro

    2009-06-07

    We propose a theoretical scheme for a hybrid simulation technique where self-consistent field theory and molecular dynamics simulation are combined (MD-SCF). We describe the detail of the main implementation issues on the evaluation of a smooth three-dimensional spatial density distribution and its special gradient based on the positions of particles. The treatments of our multiscale model system on an atomic scale or on a specific coarse-grained scale are carefully discussed. We perform a series of test simulations on this hybrid model system and compare the structural correlations on the atomic scale with those of classical MD simulations. The results are very encouraging and open a way to an efficient strategy that possess the main advantages common to the SCF and the atomistic approaches, while avoiding the disadvantages of each of the treatments.

  8. Using field theory to construct hybrid particle-continuum simulation schemes with adaptive resolution for soft matter systems

    OpenAIRE

    Qi, Shuanhu; Behringer, Hans; Schmid, Friederike

    2013-01-01

    We develop a multiscale hybrid scheme for simulations of soft condensed matter systems, which allows one to treat the system at the particle level in selected regions of space, and at the continuum level elsewhere. It is derived systematically from an underlying particle-based model by field theoretic methods. Particles in different representation regions can switch representations on the fly, controlled by a spatially varying tuning function. As a test case, the hybrid scheme is applied to s...

  9. Exact hybrid particle/population simulation of rule-based models of biochemical systems.

    Directory of Open Access Journals (Sweden)

    Justin S Hogg

    2014-04-01

    Full Text Available Detailed modeling and simulation of biochemical systems is complicated by the problem of combinatorial complexity, an explosion in the number of species and reactions due to myriad protein-protein interactions and post-translational modifications. Rule-based modeling overcomes this problem by representing molecules as structured objects and encoding their interactions as pattern-based rules. This greatly simplifies the process of model specification, avoiding the tedious and error prone task of manually enumerating all species and reactions that can potentially exist in a system. From a simulation perspective, rule-based models can be expanded algorithmically into fully-enumerated reaction networks and simulated using a variety of network-based simulation methods, such as ordinary differential equations or Gillespie's algorithm, provided that the network is not exceedingly large. Alternatively, rule-based models can be simulated directly using particle-based kinetic Monte Carlo methods. This "network-free" approach produces exact stochastic trajectories with a computational cost that is independent of network size. However, memory and run time costs increase with the number of particles, limiting the size of system that can be feasibly simulated. Here, we present a hybrid particle/population simulation method that combines the best attributes of both the network-based and network-free approaches. The method takes as input a rule-based model and a user-specified subset of species to treat as population variables rather than as particles. The model is then transformed by a process of "partial network expansion" into a dynamically equivalent form that can be simulated using a population-adapted network-free simulator. The transformation method has been implemented within the open-source rule-based modeling platform BioNetGen, and resulting hybrid models can be simulated using the particle-based simulator NFsim. Performance tests show that

  10. A hybrid FEM-DEM approach to the simulation of fluid flow laden with many particles

    Science.gov (United States)

    Casagrande, Marcus V. S.; Alves, José L. D.; Silva, Carlos E.; Alves, Fábio T.; Elias, Renato N.; Coutinho, Alvaro L. G. A.

    2017-04-01

    In this work we address a contribution to the study of particle laden fluid flows in scales smaller than TFM (two-fluid models). The hybrid model is based on a Lagrangian-Eulerian approach. A Lagrangian description is used for the particle system employing the discrete element method (DEM), while a fixed Eulerian mesh is used for the fluid phase modeled by the finite element method (FEM). The resulting coupled DEM-FEM model is integrated in time with a subcycling scheme. The aforementioned scheme is applied in the simulation of a seabed current to analyze which mechanisms lead to the emergence of bedload transport and sediment suspension, and also quantify the effective viscosity of the seabed in comparison with the ideal no-slip wall condition. A simulation of a salt plume falling in a fluid column is performed, comparing the main characteristics of the system with an experiment.

  11. Analysis of Winske-Daughton 3D Electromagnetic Particle Simulation of Ion Ring Generated Lower Hybrid Turbulence

    CERN Document Server

    Rudakov, Leonid; Mithaiwala, Manish; Ganguli, Gurudas

    2012-01-01

    Using electromagnetic particle-in-cell simulations Winske and Daughton [Phys Plasmas, 19, 072109, 2012] have recently demonstrated that the nonlinear evolution of a wave turbulence initiated by cold ion ring beam is vastly different in three dimensions than in two dimensions. We further analyze the Winske-Daughton three dimensional simulation data and show that the nonlinear induced scattering by thermal plasma particles is crucial for understanding the evolution of lower hybrid/whistler wave turbulence as described in the simulation.

  12. Further validation of the hybrid particle-mesh method for vortex shedding flow simulations

    Directory of Open Access Journals (Sweden)

    Lee Seung-Jae

    2015-11-01

    Full Text Available This is the continuation of a numerical study on vortex shedding from a blunt trailing-edge of a hydrofoil. In our previous work (Lee et al., 2015, numerical schemes for efficient computations were successfully implemented; i.e. multiple domains, the approximation of domain boundary conditions using cubic spline functions, and particle-based domain decomposition for better load balancing. In this study, numerical results through a hybrid particle-mesh method which adopts the Vortex-In-Cell (VIC method and the Brinkman penalization model are further rigorously validated through comparison to experimental data at the Reynolds number of 2 × 106. The effects of changes in numerical parameters are also explored herein. We find that the present numerical method enables us to reasonably simulate vortex shedding phenomenon, as well as turbulent wakes of a hydrofoil.

  13. Combining cell-based hydrodynamics with hybrid particle-field simulations: efficient and realistic simulation of structuring dynamics.

    Science.gov (United States)

    Sevink, G J A; Schmid, F; Kawakatsu, T; Milano, G

    2017-02-22

    We have extended an existing hybrid MD-SCF simulation technique that employs a coarsening step to enhance the computational efficiency of evaluating non-bonded particle interactions. This technique is conceptually equivalent to the single chain in mean-field (SCMF) method in polymer physics, in the sense that non-bonded interactions are derived from the non-ideal chemical potential in self-consistent field (SCF) theory, after a particle-to-field projection. In contrast to SCMF, however, MD-SCF evolves particle coordinates by the usual Newton's equation of motion. Since collisions are seriously affected by the softening of non-bonded interactions that originates from their evaluation at the coarser continuum level, we have devised a way to reinsert the effect of collisions on the structural evolution. Merging MD-SCF with multi-particle collision dynamics (MPCD), we mimic particle collisions at the level of computational cells and at the same time properly account for the momentum transfer that is important for a realistic system evolution. The resulting hybrid MD-SCF/MPCD method was validated for a particular coarse-grained model of phospholipids in aqueous solution, against reference full-particle simulations and the original MD-SCF model. We additionally implemented and tested an alternative and more isotropic finite difference gradient. Our results show that efficiency is improved by merging MD-SCF with MPCD, as properly accounting for hydrodynamic interactions considerably speeds up the phase separation dynamics, with negligible additional computational costs compared to efficient MD-SCF. This new method enables realistic simulations of large-scale systems that are needed to investigate the applications of self-assembled structures of lipids in nanotechnologies.

  14. Probing particle acceleration in lower hybrid turbulence via synthetic diagnostics produced by PIC simulations

    Science.gov (United States)

    Cruz, F.; Fonseca, R. A.; Silva, L. O.; Rigby, A.; Gregori, G.; Bamford, R. A.; Bingham, R.; Koenig, M.

    2016-10-01

    Efficient particle acceleration in astrophysical shocks can only be achieved in the presence of initial high energy particles. A candidate mechanism to provide an initial seed of energetic particles is lower hybrid turbulence (LHT). This type of turbulence is commonly excited in regions where space and astrophysical plasmas interact with large obstacles. Due to the nature of LH waves, energy can be resonantly transferred from ions (travelling perpendicular to the magnetic field) to electrons (travelling parallel to it) and the consequent motion of the latter in turbulent shock electromagnetic fields is believed to be responsible for the observed x-ray fluxes from non-thermal electrons produced in astrophysical shocks. Here we present PIC simulations of plasma flows colliding with magnetized obstacles showing the formation of a bow shock and the consequent development of LHT. The plasma and obstacle parameters are chosen in order to reproduce the results obtained in a recent experiment conducted at the LULI laser facility at Ecole Polytechnique (France) to study accelerated electrons via LHT. The wave and particle spectra are studied and used to produce synthetic diagnostics that show good qualitative agreement with experimental results. Work supported by the European Research Council (Accelerates ERC-2010-AdG 267841).

  15. Particle-in-cell simulation study of a lower-hybrid shock

    Science.gov (United States)

    Dieckmann, M. E.; Sarri, G.; Doria, D.; Ynnerman, A.; Borghesi, M.

    2016-06-01

    The expansion of a magnetized high-pressure plasma into a low-pressure ambient medium is examined with particle-in-cell simulations. The magnetic field points perpendicular to the plasma's expansion direction and binary collisions between particles are absent. The expanding plasma steepens into a quasi-electrostatic shock that is sustained by the lower-hybrid (LH) wave. The ambipolar electric field points in the expansion direction and it induces together with the background magnetic field a fast E cross B drift of electrons. The drifting electrons modify the background magnetic field, resulting in its pile-up by the LH shock. The magnetic pressure gradient force accelerates the ambient ions ahead of the LH shock, reducing the relative velocity between the ambient plasma and the LH shock to about the phase speed of the shocked LH wave, transforming the LH shock into a nonlinear LH wave. The oscillations of the electrostatic potential have a larger amplitude and wavelength in the magnetized plasma than in an unmagnetized one with otherwise identical conditions. The energy loss to the drifting electrons leads to a noticeable slowdown of the LH shock compared to that in an unmagnetized plasma.

  16. Particle-in-cell simulation study of a lower-hybrid shock

    CERN Document Server

    Dieckmann, Mark Eric; Doria, Domenico; Ynnerman, Anders; Borghesi, Marco

    2016-01-01

    The expansion of a magnetized high-pressure plasma into a low-pressure ambient medium is examined with particle-in-cell (PIC) simulations. The magnetic field points perpendicularly to the plasma's expansion direction and binary collisions between particles are absent. The expanding plasma steepens into a quasi-electrostatic shock that is sustained by the lower-hybrid (LH) wave. The ambipolar electric field points in the expansion direction and it induces together with the background magnetic field a fast E cross B drift of electrons. The drifting electrons modify the background magnetic field, resulting in its pile-up by the LH shock. The magnetic pressure gradient force accelerates the ambient ions ahead of the LH shock, reducing the relative velocity between the ambient plasma and the LH shock to about the phase speed of the shocked LH wave, transforming the LH shock into a nonlinear LH wave. The oscillations of the electrostatic potential have a larger amplitude and wavelength in the magnetized plasma than...

  17. 3D hybrid simulations with gyrokinetic particle ions and fluid electrons

    Energy Technology Data Exchange (ETDEWEB)

    Belova, E.V.; Park, W.; Fu, G.Y. [Princeton Univ., NJ (United States). Plasma Physics Lab.; Strauss, H.R. [New York Univ., NY (United States); Sugiyama, L.E. [Massachusetts Inst. of Tech., Cambridge, MA (United States)

    1998-12-31

    The previous hybrid MHD/particle model (MH3D-K code) represented energetic ions as gyrokinetic (or drift-kinetic) particles coupled to MHD equations using the pressure or current coupling scheme. A small energetic to bulk ion density ratio was assumed, n{sub h}/n{sub b} {much_lt} 1, allowing the neglect of the energetic ion perpendicular inertia in the momentum equation and the use of MHD Ohm`s law E = {minus}v{sub b} {times} B. A generalization of this model in which all ions are treated as gyrokinetic/drift-kinetic particles and fluid description is used for the electron dynamics is considered in this paper.

  18. Hybrid (particle in cell-fluid) simulation of ion-acoustic soliton generation including super-thermal and trapped electrons

    Energy Technology Data Exchange (ETDEWEB)

    Nopoush, M.; Abbasi, H. [Faculty of Physics, Amirkabir University of Technology, P. O. Box 15875-4413, Tehran (Iran, Islamic Republic of)

    2011-08-15

    The present paper is devoted to the simulation of the nonlinear disintegration of a localized perturbation into an ion-acoustic soliton in a plasma. Recently, this problem was studied by a simple model [H. Abbasi et al., Plasma Phys. Controlled Fusion 50, 095007 (2008)]. The main assumptions were (i) in the electron velocity distribution function (DF), the ion-acoustic soliton velocity was neglected in comparison to the electron thermal velocity, (ii) on the ion-acoustic evolution time-scale, the electron velocity DF was assumed to be stationary, and (iii) the calculation was restricted to the small amplitude case. In order to generalize the model, one has to consider the evolution of the electron velocity DF for finite amplitudes. For this purpose, a one dimensional electrostatic hybrid code, particle in cell (PIC)-fluid, was designed. It simulates the electrons dynamics by the PIC method and the cold ions dynamics by the fluid equations. The plasma contains a population of super-thermal electrons and, therefore, a Lorentzian (kappa) velocity DF is used to model the high energy tail in the electron velocity DF. Electron trapping is included in the simulation in view of their nonlinear resonant interaction with the localized perturbation. A Gaussian initial perturbation is used to model the localized perturbation. The influence of both the trapped and the super-thermal electrons on this process is studied and compared with the previous model.

  19. Hybrid Particle-Element Simulation of Impact on Composite Orbital Debris Shields

    Science.gov (United States)

    Fahrenthold, Eric P.

    2004-01-01

    This report describes the development of new numerical methods and new constitutive models for the simulation of hypervelocity impact effects on spacecraft. The research has included parallel implementation of the numerical methods and material models developed under the project. Validation work has included both one dimensional simulations, for comparison with exact solutions, and three dimensional simulations of published hypervelocity impact experiments. The validated formulations have been applied to simulate impact effects in a velocity and kinetic energy regime outside the capabilities of current experimental methods. The research results presented here allow for the expanded use of numerical simulation, as a complement to experimental work, in future design of spacecraft for hypervelocity impact effects.

  20. Hybrid approach combining dissipative particle dynamics and finite-difference diffusion model: simulation of reactive polymer coupling and interfacial polymerization.

    Science.gov (United States)

    Berezkin, Anatoly V; Kudryavtsev, Yaroslav V

    2013-10-21

    A novel hybrid approach combining dissipative particle dynamics (DPD) and finite difference (FD) solution of partial differential equations is proposed to simulate complex reaction-diffusion phenomena in heterogeneous systems. DPD is used for the detailed molecular modeling of mass transfer, chemical reactions, and phase separation near the liquid∕liquid interface, while FD approach is applied to describe the large-scale diffusion of reactants outside the reaction zone. A smooth, self-consistent procedure of matching the solute concentration is performed in the buffer region between the DPD and FD domains. The new model is tested on a simple model system admitting an analytical solution for the diffusion controlled regime and then applied to simulate practically important heterogeneous processes of (i) reactive coupling between immiscible end-functionalized polymers and (ii) interfacial polymerization of two monomers dissolved in immiscible solvents. The results obtained due to extending the space and time scales accessible to modeling provide new insights into the kinetics and mechanism of those processes and demonstrate high robustness and accuracy of the novel technique.

  1. Hybrid particles and associated methods

    Science.gov (United States)

    Fox, Robert V; Rodriguez, Rene; Pak, Joshua J; Sun, Chivin

    2015-02-10

    Hybrid particles that comprise a coating surrounding a chalcopyrite material, the coating comprising a metal, a semiconductive material, or a polymer; a core comprising a chalcopyrite material and a shell comprising a functionalized chalcopyrite material, the shell enveloping the core; or a reaction product of a chalcopyrite material and at least one of a reagent, heat, and radiation. Methods of forming the hybrid particles are also disclosed.

  2. Radiation in Particle Simulations

    Energy Technology Data Exchange (ETDEWEB)

    More, R; Graziani, F; Glosli, J; Surh, M

    2010-11-19

    Hot dense radiative (HDR) plasmas common to Inertial Confinement Fusion (ICF) and stellar interiors have high temperature (a few hundred eV to tens of keV), high density (tens to hundreds of g/cc) and high pressure (hundreds of megabars to thousands of gigabars). Typically, such plasmas undergo collisional, radiative, atomic and possibly thermonuclear processes. In order to describe HDR plasmas, computational physicists in ICF and astrophysics use atomic-scale microphysical models implemented in various simulation codes. Experimental validation of the models used to describe HDR plasmas are difficult to perform. Direct Numerical Simulation (DNS) of the many-body interactions of plasmas is a promising approach to model validation but, previous work either relies on the collisionless approximation or ignores radiation. We present four methods that attempt a new numerical simulation technique to address a currently unsolved problem: the extension of molecular dynamics to collisional plasmas including emission and absorption of radiation. The first method applies the Lienard-Weichert solution of Maxwell's equations for a classical particle whose motion is assumed to be known. The second method expands the electromagnetic field in normal modes (planewaves in a box with periodic boundary-conditions) and solves the equation for wave amplitudes coupled to the particle motion. The third method is a hybrid molecular dynamics/Monte Carlo (MD/MC) method which calculates radiation emitted or absorbed by electron-ion pairs during close collisions. The fourth method is a generalization of the third method to include small clusters of particles emitting radiation during close encounters: one electron simultaneously hitting two ions, two electrons simultaneously hitting one ion, etc. This approach is inspired by the virial expansion method of equilibrium statistical mechanics. Using a combination of these methods we believe it is possible to do atomic-scale particle

  3. Simulation of external flows using a hybrid particle mesh vortex method

    DEFF Research Database (Denmark)

    Spietz, Henrik; Hejlesen, Mads Mølholm; Walther, Jens Honore

    The long-term goal of this project is to develop and apply state-of-the-art simulation software to enable accurate prediction of fluid structure interaction, specifically vortex-induced-vibration and flutter of long-span suspension bridges to avoid error-prone structural designs. In the following...

  4. Receptor-mediated membrane adhesion of lipid-polymer hybrid (LPH) nanoparticles studied by dissipative particle dynamics simulations.

    Science.gov (United States)

    Li, Zhenlong; Gorfe, Alemayehu A

    2015-01-14

    Lipid-polymer hybrid (LPH) nanoparticles represent a novel class of targeted drug delivery platforms that combine the advantages of liposomes and biodegradable polymeric nanoparticles. However, the molecular details of the interaction between LPHs and their target cell membranes remain poorly understood. We have investigated the receptor-mediated membrane adhesion process of a ligand-tethered LPH nanoparticle using extensive dissipative particle dynamics (DPD) simulations. We found that the spontaneous adhesion process follows a first-order kinetics characterized by two distinct stages: a rapid nanoparticle-membrane engagement, followed by a slow growth in the number of ligand-receptor pairs coupled with structural re-organization of both the nanoparticle and the membrane. The number of ligand-receptor pairs increases with the dynamic segregation of ligands and receptors toward the adhesion zone causing an out-of-plane deformation of the membrane. Moreover, the fluidity of the lipid shell allows for strong nanoparticle-membrane interactions to occur even when the ligand density is low. The LPH-membrane avidity is enhanced by the increased stability of each receptor-ligand pair due to the geometric confinement and the cooperative effect arising from multiple binding events. Thus, our results reveal the unique advantages of LPH nanoparticles as active cell-targeting nanocarriers and provide some general principles governing nanoparticle-cell interactions that may aid future design of LPHs with improved affinity and specificity for a given target of interest.

  5. Receptor-mediated membrane adhesion of lipid-polymer hybrid (LPH) nanoparticles studied by dissipative particle dynamics simulations

    Science.gov (United States)

    Li, Zhenlong; Gorfe, Alemayehu A.

    2014-12-01

    Lipid-polymer hybrid (LPH) nanoparticles represent a novel class of targeted drug delivery platforms that combine the advantages of liposomes and biodegradable polymeric nanoparticles. However, the molecular details of the interaction between LPHs and their target cell membranes remain poorly understood. We have investigated the receptor-mediated membrane adhesion process of a ligand-tethered LPH nanoparticle using extensive dissipative particle dynamics (DPD) simulations. We found that the spontaneous adhesion process follows a first-order kinetics characterized by two distinct stages: a rapid nanoparticle-membrane engagement, followed by a slow growth in the number of ligand-receptor pairs coupled with structural re-organization of both the nanoparticle and the membrane. The number of ligand-receptor pairs increases with the dynamic segregation of ligands and receptors toward the adhesion zone causing an out-of-plane deformation of the membrane. Moreover, the fluidity of the lipid shell allows for strong nanoparticle-membrane interactions to occur even when the ligand density is low. The LPH-membrane avidity is enhanced by the increased stability of each receptor-ligand pair due to the geometric confinement and the cooperative effect arising from multiple binding events. Thus, our results reveal the unique advantages of LPH nanoparticles as active cell-targeting nanocarriers and provide some general principles governing nanoparticle-cell interactions that may aid future design of LPHs with improved affinity and specificity for a given target of interest.

  6. Radiation in Particle Simulations

    Energy Technology Data Exchange (ETDEWEB)

    More, R M; Graziani, F R; Glosli, J; Surh, M

    2009-06-15

    Hot dense radiative (HDR) plasmas common to Inertial Confinement Fusion (ICF) and stellar interiors have high temperature (a few hundred eV to tens of keV), high density (tens to hundreds of g/cc) and high pressure (hundreds of Megabars to thousands of Gigabars). Typically, such plasmas undergo collisional, radiative, atomic and possibly thermonuclear processes. In order to describe HDR plasmas, computational physicists in ICF and astrophysics use atomic-scale microphysical models implemented in various simulation codes. Experimental validation of the models used to describe HDR plasmas are difficult to perform. Direct Numerical Simulation (DNS) of the many-body interactions of plasmas is a promising approach to model validation but, previous work either relies on the collisionless approximation or ignores radiation. We present four methods that attempt a new numerical simulation technique to address a currently unsolved problem: the extension of molecular dynamics to collisional plasmas including emission and absorption of radiation. The first method applies the Lienard-Weichert solution of Maxwell's equations for a classical particle whose motion is assumed to be known (section 3). The second method expands the electromagnetic field in normal modes (plane-waves in a box with periodic boundary-conditions) and solves the equation for wave amplitudes coupled to the particle motion (section 4). The third method is a hybrid MD/MC (molecular dynamics/Monte Carlo) method which calculates radiation emitted or absorbed by electron-ion pairs during close collisions (section 5). The fourth method is a generalization of the third method to include small clusters of particles emitting radiation during close encounters: one electron simultaneously hitting two ions, two electrons simultaneously hitting one ion, etc.(section 6). This approach is inspired by the Virial expansion method of equilibrium statistical mechanics.

  7. Multiscale Simulations Using Particles

    DEFF Research Database (Denmark)

    Walther, Jens Honore

    We are developing particle methods as a general framework for large scale simulations of discrete and continuous systems in science and engineering. The specific application and research areas include: discrete element simulations of granular flow, smoothed particle hydrodynamics and particle...... vortex methods for problems in continuum fluid dynamics, dissipative particle dynamics for flow at the meso scale, and atomistic molecular dynamics simulations of nanofluidic systems. We employ multiscale techniques to breach the atomistic and continuum scales to study fundamental problems in fluid...

  8. ML-Space: Hybrid Spatial Gillespie and Particle Simulation of Multi-level Rule-based Models in Cell Biology.

    Science.gov (United States)

    Bittig, Arne; Uhrmacher, Adelinde

    2016-08-03

    Spatio-temporal dynamics of cellular processes can be simulated at different levels of detail, from (deterministic) partial differential equations via the spatial Stochastic Simulation algorithm to tracking Brownian trajectories of individual particles. We present a spatial simulation approach for multi-level rule-based models, which includes dynamically hierarchically nested cellular compartments and entities. Our approach ML-Space combines discrete compartmental dynamics, stochastic spatial approaches in discrete space, and particles moving in continuous space. The rule-based specification language of ML-Space supports concise and compact descriptions of models and to adapt the spatial resolution of models easily.

  9. Multiscale Simulations Using Particles

    DEFF Research Database (Denmark)

    Walther, Jens Honore

    We are developing particle methods as a general framework for large scale simulations of discrete and continuous systems in science and engineering. The specific application and research areas include: discrete element simulations of granular flow, smoothed particle hydrodynamics and particle vor...... dynamics. Recent work on the thermophoretic motion of water nanodroplets confined inside carbon nanotubes, and multiscale techniques for polar liquids will be discussed in detail at the symposium....... vortex methods for problems in continuum fluid dynamics, dissipative particle dynamics for flow at the meso scale, and atomistic molecular dynamics simulations of nanofluidic systems. We employ multiscale techniques to breach the atomistic and continuum scales to study fundamental problems in fluid...

  10. Hybrid smoothed dissipative particle dynamics and immersed boundary method for simulation of red blood cells in flows.

    Science.gov (United States)

    Ye, Ting; Phan-Thien, Nhan; Lim, Chwee Teck; Peng, Lina; Shi, Huixin

    2017-06-01

    In biofluid flow systems, often the flow problems of fluids of complex structures, such as the flow of red blood cells (RBCs) through complex capillary vessels, need to be considered. The smoothed dissipative particle dynamics (SDPD), a particle-based method, is one of the easy and flexible methods to model such complex structure fluids. It couples the best features of the smoothed particle hydrodynamics (SPH) and dissipative particle dynamics (DPD), with parameters having specific physical meaning (coming from SPH discretization of the Navier-Stokes equations), combined with thermal fluctuations in a mesoscale simulation, in a similar manner to the DPD. On the other hand, the immersed boundary method (IBM), a preferred method for handling fluid-structure interaction problems, has also been widely used to handle the fluid-RBC interaction in RBC simulations. In this paper, we aim to couple SDPD and IBM together to carry out the simulations of RBCs in complex flow problems. First, we develop the SDPD-IBM model in details, including the SDPD model for the evolving fluid flow, the RBC model for calculating RBC deformation force, the IBM for treating fluid-RBC interaction, and the solid boundary treatment model as well. We then conduct the verification and validation of the combined SDPD-IBM method. Finally, we demonstrate the capability of the SDPD-IBM method by simulating the flows of RBCs in rectangular, cylinder, curved, bifurcated, and constricted tubes, respectively.

  11. A Hybrid Method with Deviational Particles for Spatial Inhomogeneous Plasma

    CERN Document Server

    Yan, Bokai

    2015-01-01

    In this work we propose a Hybrid method with Deviational Particles (HDP) for a plasma modeled by the inhomogeneous Vlasov-Poisson-Landau system. We split the distribution into a Maxwellian part evolved by a grid based fluid solver and a deviation part simulated by numerical particles. These particles, named deviational particles, could be both positive and negative. We combine the Monte Carlo method proposed in \\cite{YC15}, a Particle in Cell method and a Macro-Micro decomposition method \\cite{BLM08} to design an efficient hybrid method. Furthermore, coarse particles are employed to accelerate the simulation. A particle resampling technique on both deviational particles and coarse particles is also investigated and improved. The efficiency is significantly improved compared to a PIC-MCC method, especially near the fluid regime.

  12. High energy particles at Mars and Venus: Phobos-2, Mars Express and Venus Express observations and their interpretation by hybrid model simulations

    Science.gov (United States)

    McKenna-Lawlor, Susan; Kallio, Esa; Fram, Rudy A.; Alho, Markku; Jarvinen, Riku; Dyadechkin, Sergey; Wedlund, Cyril Simon; Zhang, Tielong; Collinson, Glyn A.; Futaana, Yoshifumi

    2013-04-01

    Mars and Venus can both be reached by Solar Energetic Particles (SEPs). Such high energy particles (protons, multiply charged heavy ions, electrons) penetrate the upper atmospheres of Mars and Venus because, in contrast to Earth, these bodies do not have a significant, global, intrinsic magnetic field to exclude them. One especially well documented, complex and prolonged SEP took in place in early 1989 (Solar Cycle 23) when the Phobos-2 spacecraft was orbiting Mars. This spacecraft had a dedicated high energy particle instrument onboard (SLED), which measured particles with energies in the keV range up to a few tens of MeV. There was in addition a magnetometer as well as solar wind plasma detectors onboard which together provided complementary data to support contemporaneous studies of the background SEP environment. Currently, while the Sun is displaying maximum activity (Solar Cycle 24), Mars and Venus are being individually monitored by instrumentation flown onboard the Mars Express (MEX) and Venus Express (VEX) spacecraft. Neither of these spacecraft carry a high energy particle instrument but their Analyzer of Space Plasmas and Energetic Atoms (ASPERA) experiments (ASPERA-3 on MEX and ASPERA-4 on VEX), can be used to study SEPs integrated over E ≥ ~30 MeV which penetrate the instrument hardware and form background counts in the plasma data. In the present work we present SEP events measured at Mars and Venus based on Phobos-2, 1989 data and on, more recent, MEX and VEX (identified from particle background) observations. We further introduce numerical global SEP simulations of the measured events based on 3-D self-consistent hybrid models (HYB-Mars and HYB-Venus). Through comparing the in situ SEP observations with these simulations, new insights are provided into the properties of the measured SEPs as well as into how their individual planetary bow shocks and magnetospheres affect the characteristics of their ambient Martian and Venusian SEP environments.

  13. Hybrid Particle-In-Cell (PIC) simulation of heat transfer and ionization balance in overdense plasmas irradiated by subpicosecond pulse lasers

    Energy Technology Data Exchange (ETDEWEB)

    Zhidkov, A.; Sasaki, Akira [Japan Atomic Energy Research Inst., Neyagawa, Osaka (Japan). Kansai Research Establishment

    1998-11-01

    A 1D hybrid electromagnetic particle-in-cell code with new methods to include particle collisions and atomic kinetics is developed and applied to ultra-short-pulse laser plasma interaction. Using the Langevin equation to calculate the Coulomb collision term, the present code is shown to be fast and stable in calculating the particle motion in the PIC simulation. Furthermore, by noting that the scale length of the change of atomic kinetics is much longer than the Debye radius, we calculate ionization and X-ray emission on kinetics cells, which are determined by averaging plasma parameters such as the electron density and energy over number of PIC cells. The absorption of short-pulse laser by overdense plasmas is calculated in self-consistent manner, including the effect of rapid change of density and temperature caused by instantaneous heating and successive fast ionization of the target material. The calculated results agree well with those obtained from the Fokker-Planck simulation as well as experiments, for non-local heat transport in plasmas with steep temperature gradient, and for the absorption of a short laser pulse by solid density targets. These results demonstrate usefulness of the code and the computational method therein for understanding of physics of short pulse laser plasma interaction experiments, and for application to the gain calculation of short-pulse laser excited X-ray laser as well. (author)

  14. Electric/Hybrid Vehicle Simulation

    Science.gov (United States)

    Slusser, R. A.; Chapman, C. P.; Brennand, J. P.

    1985-01-01

    ELVEC computer program provides vehicle designer with simulation tool for detailed studies of electric and hybrid vehicle performance and cost. ELVEC simulates performance of user-specified electric or hybrid vehicle under user specified driving schedule profile or operating schedule. ELVEC performs vehicle design and life cycle cost analysis.

  15. Fluid-particle hybrid simulation on the transports of plasma, recycling neutrals, and carbon impurities in the Korea Superconducting Tokamak Advanced Research divertor region

    Science.gov (United States)

    Kim, Deok-Kyu; Hong, Sang Hee

    2005-06-01

    A two-dimensional simulation modeling that has been performed in a self-consistent way for analysis on the fully coupled transports of plasma, recycling neutrals, and intrinsic carbon impurities in the divertor domain of tokamaks is presented. The numerical model coupling the three major species transports in the tokamak edge is based on a fluid-particle hybrid approach where the plasma is described as a single magnetohydrodynamic fluid while the neutrals and impurities are treated as kinetic particles using the Monte Carlo technique. This simulation code is applied to the KSTAR (Korea Superconducting Tokamak Advanced Research) tokamak [G. S. Lee, J. Kim, S. M. Hwang et al., Nucl. Fusion 40, 575 (2000)] to calculate the peak heat flux on the divertor plate and to explore the divertor plasma behavior depending on the upstream conditions in its base line operation mode for various values of input heating power and separatrix plasma density. The numerical modeling for the KSTAR tokamak shows that its full-powered operation is subject to the peak heat loads on the divertor plate exceeding an engineering limit, and reveals that the recycling zone is formed in front of the divertor by increasing plasma density and by reducing power flow into the scrape-off layer. Compared with other researchers' work, the present hybrid simulation more rigorously reproduces severe electron pressure losses along field lines by the presence of recycling zone accounting for the transitions between the sheath limited and the detached divertor regimes. The substantial profile changes in carbon impurity population and ionic composition also represent the key features of this divertor regime transition.

  16. Smoothed Particle Hydrodynamic Simulator

    Energy Technology Data Exchange (ETDEWEB)

    2016-10-05

    This code is a highly modular framework for developing smoothed particle hydrodynamic (SPH) simulations running on parallel platforms. The compartmentalization of the code allows for rapid development of new SPH applications and modifications of existing algorithms. The compartmentalization also allows changes in one part of the code used by many applications to instantly be made available to all applications.

  17. Particle-in-cell simulations of an alpha channeling scenario: electron current drive arising from lower hybrid drift instability of fusion-born ions

    Science.gov (United States)

    Cook, James; Chapman, Sandra; Dendy, Richard

    2010-11-01

    Particle-in-cell (PIC) simulations of fusion-born protons in deuterium plasmas demonstrate a key alpha channeling phenomenon for tokamak fusion plasmas. We focus on obliquely propagating modes at the plasma edge, excited by centrally born fusion products on banana orbits, known to be responsible for observations of ion cyclotron emission in JET and TFTR. A fully self-consistent electromagnetic 1D3V PIC code evolves a ring-beam distribution of 3MeV protons in a 10keV thermal deuterium-electron plasma with realistic mass ratio. A collective instability occurs, giving rise to electromagnetic field activity in the lower hybrid range of frequencies. Waves spontaneously excited by this lower hybrid drift instability undergo Landau damping on resonant electrons, drawing out an asymmetric tail in the distribution of electron parallel velocities, which constitutes a net current. These simulations demonstrate a key building block of some alpha channeling scenarios: the direct collisionless coupling of fusion product energy into a form which can help sustain the equilibrium of the tokamak.

  18. Relative drifts and temperature anisotropies of protons and $\\alpha$ particles in the expanding solar wind -- 2.5D hybrid simulations

    CERN Document Server

    Maneva, Y G; Viñas, A

    2014-01-01

    We perform 2.5D hybrid simulations to investigate the origin and evolution of relative drift speeds between protons and $\\alpha$ particles in the collisionless turbulent low-$\\beta$ solar wind plasma. We study the generation of differential streaming by wave-particle interactions and absorption of turbulent wave spectra. Next we focus on the role of the relative drifts for the turbulent heating and acceleration of ions in the collisionless fast solar wind streams. The energy source is given by an initial broad-band spectrum of parallel propagating Alfv\\'en-cyclotron waves, which co-exists with the plasma and is self-consistently coupled to the perpendicular ion bulk velocities. We include the effect of a gradual solar wind expansion, which cools and decelerates the minor ions. This paper for the first time considers the combined effect of self-consistently initialized dispersive turbulent Alfv\\'enic spectra with differentially streaming protons and $\\alpha$ particles in the expanding solar wind outflows withi...

  19. Self-assembly of carbon nanotubes in polymer melts: simulation of structural and electrical behaviour by hybrid particle-field molecular dynamics.

    Science.gov (United States)

    Zhao, Ying; Byshkin, Maksym; Cong, Yue; Kawakatsu, Toshihiro; Guadagno, Liberata; De Nicola, Antonio; Yu, Naisen; Milano, Giuseppe; Dong, Bin

    2016-08-25

    Self-assembly processes of carbon nanotubes (CNTs) dispersed in different polymer phases have been investigated using a hybrid particle-field molecular dynamics technique (MD-SCF). This efficient computational method allowed simulations of large-scale systems (up to ∼1 500 000 particles) of flexible rod-like particles in different matrices made of bead spring chains on the millisecond time scale. The equilibrium morphologies obtained for longer CNTs are in good agreement with those proposed by several experimental studies that hypothesized a two level "multiscale" organization of CNT assemblies. In addition, the electrical properties of the assembled structures have been calculated using a resistor network approach. The calculated behaviour of the conductivities for longer CNTs is consistent with the power laws obtained by numerous experiments. In particular, according to the interpretation established by the systematic studies of Bauhofer and Kovacs, systems close to "statistical percolation" show exponents t ∼ 2 for the power law dependence of the electrical conductivity on the CNT fraction, and systems in which the CNTs reach equilibrium aggregation show exponents t close to 1.7 ("kinetic percolation"). The confinement effects on the assembled structures and their corresponding conductivity behaviour in a non-homogeneous matrix, such as the phase separating block copolymer melt, have also been simulated using different starting configurations. The simulations reported herein contribute to a microscopic interpretation of the literature results, and the proposed modelling procedure may contribute meaningfully to the rational design of strategies aimed at optimizing nanomaterials for improved electrical properties.

  20. Hybrid Simulation of Composite Structures

    DEFF Research Database (Denmark)

    Høgh, Jacob Herold

    Hybrid simulation is a substructural method combining a numerical simulation with a physical experiment. A structure is thereby simulated under the assumption that a substructure’s response is well known and easily modelled while a given substructure is studied more accurately in a physical...... of freedom. In this dissertation the main focus is to develop hybrid simulation for composite structures e.g. wind turbine blades where the boundary between the numerical model and the physical experiment is continues i.e. in principal infinite amount of degrees of freedom. This highly complicates...

  1. Particle Mesh Hydrodynamics for Astrophysics Simulations

    Science.gov (United States)

    Chatelain, Philippe; Cottet, Georges-Henri; Koumoutsakos, Petros

    We present a particle method for the simulation of three dimensional compressible hydrodynamics based on a hybrid Particle-Mesh discretization of the governing equations. The method is rooted on the regularization of particle locations as in remeshed Smoothed Particle Hydrodynamics (rSPH). The rSPH method was recently introduced to remedy problems associated with the distortion of computational elements in SPH, by periodically re-initializing the particle positions and by using high order interpolation kernels. In the PMH formulation, the particles solely handle the convective part of the compressible Euler equations. The particle quantities are then interpolated onto a mesh, where the pressure terms are computed. PMH, like SPH, is free of the convection CFL condition while at the same time it is more efficient as derivatives are computed on a mesh rather than particle-particle interactions. PMH does not detract from the adaptive character of SPH and allows for control of its accuracy. We present simulations of a benchmark astrophysics problem demonstrating the capabilities of this approach.

  2. A particle-based hybrid code for planet formation

    CERN Document Server

    Morishima, Ryuji

    2015-01-01

    We introduce a new particle-based hybrid code for planetary accretion. The code uses an $N$-body routine for interactions with planetary embryos while it can handle a large number of planetesimals using a super-particle approximation, in which a large number of small planetesimals are represented by a small number of tracers. Tracer-tracer interactions are handled by a statistical routine which uses the phase-averaged stirring and collision rates. We compare hybrid simulations with analytic predictions and pure $N$-body simulations for various problems in detail and find good agreements for all cases. The computational load on the portion of the statistical routine is comparable to or less than that for the $N$-body routine. The present code includes an option of hit-and-run bouncing but not fragmentation, which remains for future work.

  3. A New Class of Hybrid Particle Swarm Optimization Algorithm

    Institute of Scientific and Technical Information of China (English)

    Da-Qing Guo; Yong-Jin Zhao; Hui Xiong; Xiao Li

    2007-01-01

    A new class of hybrid particle swarm optimization (PSO) algorithm is developed for solving the premature convergence caused by some particles in standard PSO fall into stagnation. In this algorithm, the linearly decreasing inertia weight technique (LDIW) and the mutative scale chaos optimization algorithm (MSCOA) are combined with standard PSO, which are used to balance the global and local exploration abilities and enhance the local searching abilities, respectively. In order to evaluate the performance of the new method, three benchmark functions are used. The simulation results confirm the proposed algorithm can greatly enhance the searching ability and effectively improve the premature convergence.

  4. Hybrid particle swarm optimization for solving resource-constrained FMS

    Institute of Scientific and Technical Information of China (English)

    Dongyun Wang; Liping Liu

    2008-01-01

    In this paper,an approach for resource-constrained flexible manufacturing system(FMS)scheduling was proposed,which is based on the particle swarm optimization(PSO)algorithm and simulated annealing(SA)algorithm.First,the formulation for resource-con-strained FMS scheduling problem was introduced and cost function for this problem was obtained.Then.a hybrid algorithm of PSO and SA was employed to obtain optimal solution.The simulated results show that the approach can dislodge a state from a local min-imum and guide it to the global minimum.

  5. Hybrid spherical particle field measurement based on interference technology

    Science.gov (United States)

    Sun, Jinlu; Zhang, Hongxia; Li, Jiao; Zhou, Ye; Jia, Dagong; Liu, Tiegen

    2017-03-01

    Interferometric particle imaging is widely used in particle size measurement. Conventional algorithms, which focus on single size particle fields, have difficulties in extracting each interference fringe in a hybrid spherical particle field due to the noise. To solve this problem, an iterative mean filter (IMF) algorithm is proposed. Instead of the specific mean filter template coefficient, the noise is reduced by iterating the calculation results under different template coefficients. The average value of the calculation results excluding the gross error is output as the final result. The effect of different template coefficients are simulated, furthermore, the value range of template coefficients has been analyzed. The interferogram of the hybrid spherical particle field from 21.3 µm to 57.9 µm is processed by the conventional algorithms with specific template coefficients of 2, 8, 12 and the IMF algorithm. The corresponding measurement errors are 17.22%, 10.69%, 9.04% and 5.11%. The experimental results show that the IMF algorithm would reduce measurement error, and could be potentially applied in particle field measurement.

  6. Analysis of hybrid viscous damper by real time hybrid simulations

    DEFF Research Database (Denmark)

    Brodersen, Mark Laier; Ou, Ge; Høgsberg, Jan Becker

    2016-01-01

    Results from real time hybrid simulations are compared to full numerical simulations for a hybrid viscous damper, composed of a viscous dashpot in series with an active actuator and a load cell. By controlling the actuator displacement via filtered integral force feedback the damping performance...... of the hybrid viscous damper is improved, while for pure integral force feedback the damper stroke is instead increased. In the real time hybrid simulations viscous damping is emulated by a bang-bang controlled Magneto-Rheological (MR) damper. The controller activates high-frequency modes and generates drift...... in the actuator displacement, and only a fraction of the measured damper force can therefore be used as input to the investigated integral force feedback in the real time hybrid simulations....

  7. Improved hybrid particle swarm algorithm based on simulated annealing%基于自适应模拟退火的改进混合粒子群算法

    Institute of Scientific and Technical Information of China (English)

    杨文光; 严哲; 隋丽丽

    2015-01-01

    为了改善旅行商(TSP)优化求解能力,对模拟退火与混合粒子群算法进行改进,引入了自适应寻优策略。交叉、变异的混合粒子群算法,易于陷入局部最优,而自适应的模拟退火算法可以跳出局部最优,进行全局寻优,所以两者的结合兼顾了全局和局部。该算法增加的自适应性寻优策略提供了判定粒子是否陷入局部极值的条件,并可借此以一定概率进行自适应寻优,增强了全局寻优能力。与混合粒子群算法实验结果对比,显示了本文算法的有效性。%In order to enhance the ability of solving TSP optimization, the hybrid particle swarm optimization (PSO) algorithm with simulated annealing is improved, which introduced the adaptive optimization strategy. Hybrid particle swarm optimization algorithm with crossover and mutation, is easy to fall into local optimum, and the simulated annealing algorithm can avoid local optimization, so the combination of both global and lo-cal. This algorithm increases the adaptive optimization strategy which provided to determine whether the parti-cles fall into local extreme conditions, and can be used to with a certain probability of adaptive optimization, enhanced the ability of global optimization. Compared with the hybrid particle swarm algorithm experimental results, shows the effectiveness of the proposed algorithm.

  8. Pseudospectral Model for Hybrid PIC Hall-effect Thruster Simulation

    Science.gov (United States)

    2015-07-01

    1149. 8Goebel, D. M. and Katz, I., Fundamentals of Electric Propulsion : Ion and Hall Thrusters, John Wiley & Sons, Inc., 2008. 9Martin, R., J.W., K...Bilyeu, D., and Tran, J., “Dynamic Particle Weight Remapping in Hybrid PIC Hall -effect Thruster Simulation,” 34th Int. Electric Propulsion Conf...Paper 3. DATES COVERED (From - To) July 2015-July 2015 4. TITLE AND SUBTITLE Pseudospectral model for hybrid PIC Hall -effect thruster simulationect

  9. Microscale simulations of shock interaction with large assembly of particles for developing point-particle models

    Science.gov (United States)

    Thakur, Siddharth; Neal, Chris; Mehta, Yash; Sridharan, Prasanth; Jackson, Thomas; Balachandar, S.

    2017-01-01

    Micrsoscale simulations are being conducted for developing point-particle and other related models that are needed for the mesoscale and macroscale simulations of explosive dispersal of particles. These particle models are required to compute (a) instantaneous aerodynamic force on the particle and (b) instantaneous net heat transfer between the particle and the surrounding. A strategy for a sequence of microscale simulations has been devised that allows systematic development of the hybrid surrogate models that are applicable at conditions representative of the explosive dispersal application. The ongoing microscale simulations seek to examine particle force dependence on: (a) Mach number, (b) Reynolds number, and (c) volume fraction (different particle arrangements such as cubic, face-centered cubic (FCC), body-centered cubic (BCC) and random). Future plans include investigation of sequences of fully-resolved microscale simulations consisting of an array of particles subjected to more realistic time-dependent flows that progressively better approximate the actual problem of explosive dispersal. Additionally, effects of particle shape, size, and number in simulation as well as the transient particle deformation dependence on various parameters including: (a) particle material, (b) medium material, (c) multiple particles, (d) incoming shock pressure and speed, (e) medium to particle impedance ratio, (f) particle shape and orientation to shock, etc. are being investigated.

  10. GOTPM: A Parallel Hybrid Particle-Mesh Treecode

    CERN Document Server

    Dubinski, J; Park, C; Humble, R J; Dubinski, John; Kim, Juhan; Park, Changbom; Humble, Robin

    2004-01-01

    We describe a parallel, cosmological N-body code based on a hybrid scheme using the particle-mesh (PM) and Barnes-Hut (BH) oct-tree algorithm. We call the algorithm GOTPM for Grid-of-Oct-Trees-Particle-Mesh. The code is parallelized using the Message Passing Interface (MPI) library and is optimized to run on Beowulf clusters as well as symmetric multi-processors. The gravitational potential is determined on a mesh using a standard PM method with particle forces determined through interpolation. The softened PM force is corrected for short range interactions using a grid of localized BH trees throughout the entire simulation volume in a completely analogous way to P$^3$M methods. This method makes no assumptions about the local density for short range force corrections and so is consistent with the results of the P$^3$M method in the limit that the treecode opening angle parameter, $\\theta \\to 0$. (abridged)

  11. Kinetic Simulations of Particle Acceleration at Shocks

    Energy Technology Data Exchange (ETDEWEB)

    Caprioli, Damiano [Princeton University; Guo, Fan [Los Alamos National Laboratory

    2015-07-16

    Collisionless shocks are mediated by collective electromagnetic interactions and are sources of non-thermal particles and emission. The full particle-in-cell approach and a hybrid approach are sketched, simulations of collisionless shocks are shown using a multicolor presentation. Results for SN 1006, a case involving ion acceleration and B field amplification where the shock is parallel, are shown. Electron acceleration takes place in planetary bow shocks and galaxy clusters. It is concluded that acceleration at shocks can be efficient: >15%; CRs amplify B field via streaming instability; ion DSA is efficient at parallel, strong shocks; ions are injected via reflection and shock drift acceleration; and electron DSA is efficient at oblique shocks.

  12. Hybrid2 - The hybrid power system simulation model

    Energy Technology Data Exchange (ETDEWEB)

    Baring-Gould, E.I.; Green, H.J.; Dijk, V.A.P. van [National Renewable Energy Lab., Golden, CO (United States); Manwell, J.F. [Univ. of Massachusetts, Amherst, MA (United States)

    1996-12-31

    There is a large-scale need and desire for energy in remote communities, especially in the developing world; however the lack of a user friendly, flexible performance prediction model for hybrid power systems incorporating renewables hindered the analysis of hybrids as options to conventional solutions. A user friendly model was needed with the versatility to simulate the many system locations, widely varying hardware configurations, and differing control options for potential hybrid power systems. To meet these ends, researchers from the National Renewable Energy Laboratory (NREL) and the University of Massachusetts (UMass) developed the Hybrid2 software. This paper provides an overview of the capabilities, features, and functionality of the Hybrid2 code, discusses its validation and future plans. Model availability and technical support provided to Hybrid2 users are also discussed. 12 refs., 3 figs., 4 tabs.

  13. Microscopic Simulation of Particle Detectors

    CERN Document Server

    Schindler, Heinrich

    Detailed computer simulations are indispensable tools for the development and optimization of modern particle detectors. The interaction of particles with the sensitive medium, giving rise to ionization or excitation of atoms, is stochastic by its nature. The transport of the resulting photons and charge carriers, which eventually generate the observed signal, is also subject to statistical fluctuations. Together with the readout electronics, these processes - which are ultimately governed by the atomic cross-sections for the respective interactions - pose a fundamental limit to the achievable detector performance. Conventional methods for calculating electron drift lines based on macroscopic transport coefficients used to provide an adequate description for traditional gas-based particle detectors such as wire chambers. However, they are not suitable for small-scale devices such as micropattern gas detectors, which have significantly gained importance in recent years. In this thesis, a novel approach, bas...

  14. Gyrokinetic approach in particle simulation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, W.W.

    1981-10-01

    A new scheme for particle simulation based on the gyrophase-averaged Vlasov equation has been developed. It is suitable for studying low-frequency microinstabilities and the associated anomalous transport in magnetically confined plasmas. The scheme retains the gyroradius effects but not the gyromotion; it is, therefore, far more efficient and versatile than the conventional ones. Furthermore, the reduced Vlasov equation is also amenable to analytical studies.

  15. Multi-physics/scale simulations using particles

    Science.gov (United States)

    Koumoutsakos, Petros

    2006-03-01

    Particle simulations of continuum and discrete phenomena can be formulated by following the motion of interacting particles that carry the physical properties of the systems that is being approximated (continuum) or modeled (discrete) by the particles. We identify the common computational characteristics of particle methods and emphasize their key properties that enable the formulation of a novel, systematic framework for multiscale simulations, that can be applicable to the simulation of diverse physical problems. We present novel multiresolution particle methods for continuum (fluid/solid) simulations, using adaptive mesh refinement and wavelets, by relaxing the grid-free character of particle methods and discuss the coupling of scales in continuum-atomistic flow simulations.

  16. Simulation of a Hybrid Locomotion Robot Vehicle

    Science.gov (United States)

    Aarnio, P.

    2002-10-01

    This study describes a simulation process of a mobile robot. The focus is in kinematic and dynamic behavior simulations of hybrid locomotion robot vehicles. This research is motivated by the development needs of the WorkPartner field service robot. The whole robot system consists of a mobile platform and a two-hand manipulator. The robot platform, called Hybtor, is a hybrid locomotion robot capable of walking and driving by wheels as well as combining these two locomotion modes. This study describes first the general problems and their solutions in the dynamic simulation of mobile robots. A kinematic and dynamic virtual model of the Hybtor robot was built and simulations were carried out using one commercial simulation tool. Walking, wheel driven and rolking mode locomotion, which is a special hybrid locomotion style, has been simulated and analyzed. Position and force control issues during obstacle overrun and climbing were also studied.

  17. Silicone-containing aqueous polymer dispersions with hybrid particle structure.

    Science.gov (United States)

    Kozakiewicz, Janusz; Ofat, Izabela; Trzaskowska, Joanna

    2015-09-01

    In this paper the synthesis, characterization and application of silicone-containing aqueous polymer dispersions (APD) with hybrid particle structure are reviewed based on available literature data. Advantages of synthesis of dispersions with hybrid particle structure over blending of individual dispersions are pointed out. Three main processes leading to silicone-containing hybrid APD are identified and described in detail: (1) emulsion polymerization of organic unsaturated monomers in aqueous dispersions of silicone polymers or copolymers, (2) emulsion copolymerization of unsaturated organic monomers with alkoxysilanes or polysiloxanes with unsaturated functionality and (3) emulsion polymerization of alkoxysilanes (in particular with unsaturated functionality) and/or cyclic siloxanes in organic polymer dispersions. The effect of various factors on the properties of such hybrid APD and films as well as on hybrid particles composition and morphology is presented. It is shown that core-shell morphology where silicones constitute either the core or the shell is predominant in hybrid particles. Main applications of silicone-containing hybrid APD and related hybrid particles are reviewed including (1) coatings which show specific surface properties such as enhanced water repellency or antisoiling or antigraffiti properties due to migration of silicone to the surface, and (2) impact modifiers for thermoplastics and thermosets. Other processes in which silicone-containing particles with hybrid structure can be obtained (miniemulsion polymerization, polymerization in non-aqueous media, hybridization of organic polymer and polysiloxane, emulsion polymerization of silicone monomers in silicone polymer dispersions and physical methods) are also discussed. Prospects for further developments in the area of silicone-containing hybrid APD and related hybrid particles are presented.

  18. A hybrid clustering algorithm combining K-harmonic means and simulated annealing particle swarm optimization%融合K-调和均值和模拟退火粒子群的混合聚类算法

    Institute of Scientific and Technical Information of China (English)

    毛力; 刘兴阳; 沈明明

    2011-01-01

    In view of the advantages and disadvantages of K-harmonic means (KHM) and simulated annealing particle swarm optimization (SAPSO), a hybrid clustering algorithm combining KHM and SAPSO (KHM-SAPSO) was presented in this paper. With KHM, the particle swarm was divided into several sub-groups. Each particle iteratively updated its location based on its individual extreme value and the global extreme value of the sub-group it belonged to. With simulated annealing technique, the algorithm prevented premature convergence and improved the calculation accuracy. Using the databases of Iris, Zoo, Wine and Image Segmentation, and taking F-measure as a measure to evaluate the clustering effect, this paper qualified the new hybrid algorithm. Our experimental results indicated that the new algorithm significantly improved the clustering effectiveness by avoiding being trapped in local optimum, enhanced the global search capability while achieved faster convergence rate. This algorithm is adopted by an aquaculture water quality analysis system of a freshwater breeding base in Wuxi, which is running effectively.%针对K-调和均值和模拟退火粒子群聚类算法的优缺点,提出了1种融合K-调和均值和模拟退火粒子群的混合聚类算法.首先通过K-调和均值方法将粒子群分成若干个子群,每个粒子根据其个体极值和所在子种群的全局极值来更新位置.同时引入模拟退火思想,抑制了早期收敛,提高了计算精度.本文使用Iris、Zoo、Wine和Image Segmentation,4个数据库,以F-measure为评价聚类效果的标准,对混合聚类算法进行了验证.研究发现,该混合聚类算法可以有效地避免陷入局部最优,在保证收敛速度的同时增强了算法的全局搜索能力,明显改善了聚类效果.该算法目前已用于无锡一淡水养殖基地的水产健康养殖水质分析系统,运行效果良好.

  19. Hybrid simulation models of production networks

    CERN Document Server

    Kouikoglou, Vassilis S

    2001-01-01

    This book is concerned with a most important area of industrial production, that of analysis and optimization of production lines and networks using discrete-event models and simulation. The book introduces a novel approach that combines analytic models and discrete-event simulation. Unlike conventional piece-by-piece simulation, this method observes a reduced number of events between which the evolution of the system is tracked analytically. Using this hybrid approach, several models are developed for the analysis of production lines and networks. The hybrid approach combines speed and accuracy for exceptional analysis of most practical situations. A number of optimization problems, involving buffer design, workforce planning, and production control, are solved through the use of hybrid models.

  20. Methane production in simulated hybrid bioreactor landfill.

    Science.gov (United States)

    Xu, Qiyong; Jin, Xiao; Ma, Zeyu; Tao, Huchun; Ko, Jae Hac

    2014-09-01

    The aim of this work was to study a hybrid bioreactor landfill technology for landfill methane production from municipal solid waste. Two laboratory-scale columns were operated for about ten months to simulate an anaerobic and a hybrid landfill bioreactor, respectively. Leachate was recirculated into each column but aeration was conducted in the hybrid bioreactor during the first stage. Results showed that leachate pH in the anaerobic bioreactor maintained below 6.5, while in the hybrid bioreactor quickly increased from 5.6 to 7.0 due to the aeration. The temporary aeration resulted in lowering COD and BOD5 in the leachate. The volume of methane collected from the hybrid bioreactor was 400 times greater than that of the anaerobic bioreactor. Also, the methane production rate of the hybrid bioreactor was improved within a short period of time. After about 10 months' operation, the total methane production in the hybrid bioreactor was 212 L (16 L/kgwaste).

  1. Modeling of magnetic particle suspensions for simulations

    CERN Document Server

    Satoh, Akira

    2017-01-01

    The main objective of the book is to highlight the modeling of magnetic particles with different shapes and magnetic properties, to provide graduate students and young researchers information on the theoretical aspects and actual techniques for the treatment of magnetic particles in particle-based simulations. In simulation, we focus on the Monte Carlo, molecular dynamics, Brownian dynamics, lattice Boltzmann and stochastic rotation dynamics (multi-particle collision dynamics) methods. The latter two simulation methods can simulate both the particle motion and the ambient flow field simultaneously. In general, specialized knowledge can only be obtained in an effective manner under the supervision of an expert. The present book is written to play such a role for readers who wish to develop the skill of modeling magnetic particles and develop a computer simulation program using their own ability. This book is therefore a self-learning book for graduate students and young researchers. Armed with this knowledge,...

  2. TRNSYS HYBRID wind diesel PV simulator

    Energy Technology Data Exchange (ETDEWEB)

    Quinlan, P.J.A.; Mitchell, J.W.; Klein, S.A.; Beckman, W.A.; Blair, N.J. [Univ. of Wisconsin, Madison, WI (United States)

    1996-12-31

    The Solar Energy Laboratory (SEL) has developed a wind diesel PV hybrid systems simulator, UW-HYBRID 1.0, an application of the TRNSYS 14.2 time-series simulation environment. An AC/DC bus links up to five diesels and wind turbine models, along with PV modules, a battery bank, and an AC/DC converter. Multiple units can be selected. PV system simulations include solar angle and peak power tracking options. Weather data are Typical Meteorological Year data, parametrically generated synthesized data, or external data files. PV performance simulations rely on long-standing SEL-developed algorithms. Loads data are read as scalable time series. Diesel simulations include estimated fuel-use and waste heat output, and are dispatched using a least-cost of fuel strategy. Wind system simulations include varying air density, wind shear and wake effects. Time step duration is user-selectable. UW-HYBRID 1.0 runs in Windows{reg_sign}, with TRNSED providing a customizable user interface. 12 refs., 6 figs.

  3. Hydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Alekseeva, Uliana, E-mail: Alekseeva@itc.rwth-aachen.de [Jülich Supercomputing Centre (JSC), Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); German Research School for Simulation Sciences (GRS), Forschungszentrum Jülich, D-52425 Jülich (Germany); Winkler, Roland G., E-mail: r.winkler@fz-juelich.de [Theoretical Soft Matter and Biophysics, Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); Sutmann, Godehard, E-mail: g.sutmann@fz-juelich.de [Jülich Supercomputing Centre (JSC), Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); ICAMS, Ruhr-University Bochum, D-44801 Bochum (Germany)

    2016-06-01

    A new adaptive resolution technique for particle-based multi-level simulations of fluids is presented. In the approach, the representation of fluid and solvent particles is changed on the fly between an atomistic and a coarse-grained description. The present approach is based on a hybrid coupling of the multiparticle collision dynamics (MPC) method and molecular dynamics (MD), thereby coupling stochastic and deterministic particle-based methods. Hydrodynamics is examined by calculating velocity and current correlation functions for various mixed and coupled systems. We demonstrate that hydrodynamic properties of the mixed fluid are conserved by a suitable coupling of the two particle methods, and that the simulation results agree well with theoretical expectations.

  4. A hybrid approach to simulating mechanical properties of polymer nanocomposites.

    Science.gov (United States)

    Mccarron, Andy P; Raj, Sharad; Hyers, Robert; Kim, Moon K

    2009-12-01

    Empirical studies indicate that a polymer reinforced with nanoscale particles could enhance its mechanical properties such as stiffness and toughness. To give insight into how and why this nanoparticle reinforcement is effective, it is necessary to develop computational models that can accurately simulate the effects of nanoparticles on the fracture characteristics of polymer composites. Furthermore, a hybrid model that can account for both continuum and non-continuum effects will hasten the development of not only new hierarchical composite materials but also new theories to explain their behavior. This paper presents a hybrid modeling scheme for simulating fracture of polymer nanocomposites by utilizing an atomistic modeling approach called Elastic Network Model (ENM) in conjunction with a traditional Finite Element Analysis (FEA). The novelty of this hybrid ENM-FEA approach lies in its ability to model less interesting outer domains with FEA while still accounting for areas of interest such as crack tip reion and the interface between a nanoparticle and the polymer matrix at atomic scale with ENM. Various simulation conditions have been tested to determine the feasibility of the proposed hybrid model. For instance, an iterative result from a uniaxial loading with isotropic properties in an ENM-FEA model shows accuracy and convergence to the analytic solution.

  5. A Hybrid Multi-Step Rolling Forecasting Model Based on SSA and Simulated Annealing—Adaptive Particle Swarm Optimization for Wind Speed

    Directory of Open Access Journals (Sweden)

    Pei Du

    2016-08-01

    Full Text Available With the limitations of conventional energy becoming increasing distinct, wind energy is emerging as a promising renewable energy source that plays a critical role in the modern electric and economic fields. However, how to select optimization algorithms to forecast wind speed series and improve prediction performance is still a highly challenging problem. Traditional single algorithms are widely utilized to select and optimize parameters of neural network algorithms, but these algorithms usually ignore the significance of parameter optimization, precise searching, and the application of accurate data, which results in poor forecasting performance. With the aim of overcoming the weaknesses of individual algorithms, a novel hybrid algorithm was created, which can not only easily obtain the real and effective wind speed series by using singular spectrum analysis, but also possesses stronger adaptive search and optimization capabilities than the other algorithms: it is faster, has fewer parameters, and is less expensive. For the purpose of estimating the forecasting ability of the proposed combined model, 10-min wind speed series from three wind farms in Shandong Province, eastern China, are employed as a case study. The experimental results were considerably more accurately predicted by the presented algorithm than the comparison algorithms.

  6. A constrained particle dynamics for continuum-particle hybrid method in micro-and nano-fluidics

    Institute of Scientific and Technical Information of China (English)

    Jia Cui; GuoWei He; Dewei Qi

    2006-01-01

    A hybrid method of continuum and particle dynamics is developed for micro- and nano-fluidics,where fluids are described by a molecular dynamics (MD) in one domain and by the Navier-Stokes (NS) equations in another domain.In order to ensure the continuity of momentum flux,the continuum and molecular dynamics in the overlap domain are coupled through a constrained particle dynamics.The constrained particle dynamics is constructed with a virtual damping force and a virtual added mass force.The sudden-start Couette flows with either non-Slip or slip boundary condition are used to test the hybrid method.It is shown that the results obtained are quantitatively in agreement with the analytical solutions under the non-slip boundary conditions and the full MD simulations under the slip boundary conditions.

  7. Data parallel sorting for particle simulation

    Science.gov (United States)

    Dagum, Leonardo

    1992-01-01

    Sorting on a parallel architecture is a communications intensive event which can incur a high penalty in applications where it is required. In the case of particle simulation, only integer sorting is necessary, and sequential implementations easily attain the minimum performance bound of O (N) for N particles. Parallel implementations, however, have to cope with the parallel sorting problem which, in addition to incurring a heavy communications cost, can make the minimun performance bound difficult to attain. This paper demonstrates how the sorting problem in a particle simulation can be reduced to a merging problem, and describes an efficient data parallel algorithm to solve this merging problem in a particle simulation. The new algorithm is shown to be optimal under conditions usual for particle simulation, and its fieldwise implementation on the Connection Machine is analyzed in detail. The new algorithm is about four times faster than a fieldwise implementation of radix sort on the Connection Machine.

  8. Lattice Boltzmann method used to simulate particle motion in a conduit

    Directory of Open Access Journals (Sweden)

    Dolanský Jindřich

    2017-06-01

    Full Text Available A three-dimensional numerical simulation of particle motion in a pipe with a rough bed is presented. The simulation based on the Lattice Boltzmann Method (LBM employs the hybrid diffuse bounce-back approach to model moving boundaries. The bed of the pipe is formed by stationary spherical particles of the same size as the moving particles. Particle movements are induced by gravitational and hydrodynamic forces. To evaluate the hydrodynamic forces, the Momentum Exchange Algorithm is used. The LBM unified computational frame makes it possible to simulate both the particle motion and the fluid flow and to study mutual interactions of the carrier liquid flow and particles and the particle–bed and particle–particle collisions. The trajectories of simulated and experimental particles are compared. The Particle Tracking method is used to track particle motion. The correctness of the applied approach is assessed.

  9. Simulations of flame generated particles

    KAUST Repository

    Patterson, Robert

    2016-01-05

    The nonlinear structure of the equations describing the evolution of a population of coagulating particles in a flame make the use of stochastic particle methods attractive for numerical purposes. I will present an analysis of the stochastic fluctuations inherent in these numerical methods leading to an efficient sampling technique for steady-state problems. I will also give some examples where stochastic particle methods have been used to explore the effect of uncertain parameters in soot formation models. In conclusion I will try to indicate some of the issues in optimising these methods for the study of uncertain model parameters.

  10. Monte Carlo Simulation for Particle Detectors

    CERN Document Server

    Pia, Maria Grazia

    2012-01-01

    Monte Carlo simulation is an essential component of experimental particle physics in all the phases of its life-cycle: the investigation of the physics reach of detector concepts, the design of facilities and detectors, the development and optimization of data reconstruction software, the data analysis for the production of physics results. This note briefly outlines some research topics related to Monte Carlo simulation, that are relevant to future experimental perspectives in particle physics. The focus is on physics aspects: conceptual progress beyond current particle transport schemes, the incorporation of materials science knowledge relevant to novel detection technologies, functionality to model radiation damage, the capability for multi-scale simulation, quantitative validation and uncertainty quantification to determine the predictive power of simulation. The R&D on simulation for future detectors would profit from cooperation within various components of the particle physics community, and synerg...

  11. Properties of hybrid resin composite systems containing prepolymerized filler particles.

    Science.gov (United States)

    Blackham, Jason T; Vandewalle, Kraig S; Lien, Wen

    2009-01-01

    This study compared the properties of newer hybrid resin composites with prepolymerized-filler particles to traditional hybrids and a microfill composite. The following properties were examined per composite: diametral tensile strength, flexural strength/modulus, Knoop microhardness and polymerization shrinkage. Physical properties were determined for each Jason T Blackham, DMD, USAF, General Dentistry, Tyndall composite group (n = 8), showing significant differences between groups per property (p hybrid composites (Z250, Esthet-X) had higher strength, composites containing pre-polymerized fillers (Gradia Direct Posterior, Premise) performed more moderately and the microfill composite (Durafill VS) had lower strength. Premise and Durafill VS had the lowest polymerization shrinkage.

  12. Computational analysis of electrical conduction in hybrid nanomaterials with embedded non-penetrating conductive particles

    Science.gov (United States)

    Cai, Jizhe; Naraghi, Mohammad

    2016-08-01

    In this work, a comprehensive multi-resolution two-dimensional (2D) resistor network model is proposed to analyze the electrical conductivity of hybrid nanomaterials made of insulating matrix with conductive particles such as CNT reinforced nanocomposites and thick film resistors. Unlike existing approaches, our model takes into account the impenetrability of the particles and their random placement within the matrix. Moreover, our model presents a detailed description of intra-particle conductivity via finite element analysis, which to the authors’ best knowledge has not been addressed before. The inter-particle conductivity is assumed to be primarily due to electron tunneling. The model is then used to predict the electrical conductivity of electrospun carbon nanofibers as a function of microstructural parameters such as turbostratic domain alignment and aspect ratio. To simulate the microstructure of single CNF, randomly positioned nucleation sites were seeded and grown as turbostratic particles with anisotropic growth rates. Particle growth was in steps and growth of each particle in each direction was stopped upon contact with other particles. The study points to the significant contribution of both intra-particle and inter-particle conductivity to the overall conductivity of hybrid composites. Influence of particle alignment and anisotropic growth rate ratio on electrical conductivity is also discussed. The results show that partial alignment in contrast to complete alignment can result in maximum electrical conductivity of whole CNF. High degrees of alignment can adversely affect conductivity by lowering the probability of the formation of a conductive path. The results demonstrate approaches to enhance electrical conductivity of hybrid materials through controlling their microstructure which is applicable not only to carbon nanofibers, but also many other types of hybrid composites such as thick film resistors.

  13. Hybrid Method Simulation of Slender Marine Structures

    DEFF Research Database (Denmark)

    Christiansen, Niels Hørbye

    This present thesis consists of an extended summary and five appended papers concerning various aspects of the implementation of a hybrid method which combines classical simulation methods and artificial neural networks. The thesis covers three main topics. Common for all these topics...... is that they deal with time domain simulation of slender marine structures such as mooring lines and flexible risers used in deep sea offshore installations. The first part of the thesis describes how neural networks can be designed and trained to cover a large number of different sea states. Neural networks can...... that a single neural network can cover all relevant sea states. The applicability and performance of the present hybrid method is demonstrated on a numerical model of a mooring line attached to a floating offshore platform. The second part of the thesis demonstrates how sequential neural networks can be used...

  14. Fast Particle Methods for Multiscale Phenomena Simulations

    Science.gov (United States)

    Koumoutsakos, P.; Wray, A.; Shariff, K.; Pohorille, Andrew

    2000-01-01

    We are developing particle methods oriented at improving computational modeling capabilities of multiscale physical phenomena in : (i) high Reynolds number unsteady vortical flows, (ii) particle laden and interfacial flows, (iii)molecular dynamics studies of nanoscale droplets and studies of the structure, functions, and evolution of the earliest living cell. The unifying computational approach involves particle methods implemented in parallel computer architectures. The inherent adaptivity, robustness and efficiency of particle methods makes them a multidisciplinary computational tool capable of bridging the gap of micro-scale and continuum flow simulations. Using efficient tree data structures, multipole expansion algorithms, and improved particle-grid interpolation, particle methods allow for simulations using millions of computational elements, making possible the resolution of a wide range of length and time scales of these important physical phenomena.The current challenges in these simulations are in : [i] the proper formulation of particle methods in the molecular and continuous level for the discretization of the governing equations [ii] the resolution of the wide range of time and length scales governing the phenomena under investigation. [iii] the minimization of numerical artifacts that may interfere with the physics of the systems under consideration. [iv] the parallelization of processes such as tree traversal and grid-particle interpolations We are conducting simulations using vortex methods, molecular dynamics and smooth particle hydrodynamics, exploiting their unifying concepts such as : the solution of the N-body problem in parallel computers, highly accurate particle-particle and grid-particle interpolations, parallel FFT's and the formulation of processes such as diffusion in the context of particle methods. This approach enables us to transcend among seemingly unrelated areas of research.

  15. A Dynamical Simulation Facility for Hybrid Systems

    CERN Document Server

    Back, A; Myers, M; Back, Allen; Guckenheimer, John; Myers, Mark

    1993-01-01

    Abstract: This paper establishes a general framework for describing hybrid dynamical systems which is particularly suitable for numerical simulation. In this context, the data structures used to describe the sets and functions which comprise the dynamical system are crucial since they provide the link between a natural mathematical formulation of a problem and the correct application of standard numerical algorithms. We describe a partial implementation of the design methodology and use this simulation tool for a specific control problem in robotics as an illustration of the utility of the approach for practical applications.

  16. Physalis: a New Method for Particle Simulations

    Science.gov (United States)

    Takagi, Shu; Oguz, Hasan; Prosperetti, Andrea

    2000-11-01

    A new computational method for the full Navier-Stokes viscous flow past cylinders and spheres is described and illustrated with preliminary results. Since, in the rest frame, the velocity vanishes on the particle, the Stokes equations apply in the immediate neighborhood of the surface. The analytic solutions of these equations available for both spheres and cylinders permit to effectively remove the particle, the effect of which is replaced by a consistency condition on the nodes of the computational grid that surround the particle. This condition is satisfied iteratively by a method that solves the field equations over the entire computational domain disregarding the presence of the particles, so that fast solvers can be used. The procedure eliminates the geometrical complexity of multi-particle simulations and permits to simulate disperse flows containing a large number of particles with a moderate computatonal cost. Supported by DOE and Japanese MESSC.

  17. Hybrid particle swarm cooperative optimization algorithm and its application to MBC in alumina production

    Institute of Scientific and Technical Information of China (English)

    Shengli Song; Li Kong; Yong Gan; Rijian Su

    2008-01-01

    An effective hybrid particle swarm cooperative optimization (HPSCO) algorithm combining simulated annealing method and simplex method is proposed. The main idea is to divide particle swarm into several sub-groups and achieve optimization through cooperativeness of different sub-groups among the groups. The proposed algorithm is tested by benchmark functions and applied to material balance computation (MBC) in alumina production. Results show that HPSCO, with both a better stability and a steady convergence, has faster convergence speed and higher global convergence ability than the single method and the improved particle swarm optimization method. Most importantly, results demonstrate that HPSCO is more feasible and efficient than other algorithms in MBC.

  18. Dynamic Hybrid Simulation of the Lunar Wake During ARTEMIS Crossing

    Science.gov (United States)

    Wiehle, S.; Plaschke, F.; Angelopoulos, V.; Auster, H.; Glassmeier, K.; Kriegel, H.; Motschmann, U. M.; Mueller, J.

    2010-12-01

    The interaction of the highly dynamic solar wind with the Moon is simulated with the A.I.K.E.F. (Adaptive Ion Kinetic Electron Fluid) code for the ARTEMIS P1 flyby on February 13, 2010. The A.I.K.E.F. hybrid plasma simulation code is the improved version of the Braunschweig code. It is able to automatically increase simulation grid resolution in areas of interest during runtime, which greatly increases resolution as well as performance. As the Moon has no intrinsic magnetic field and no ionosphere, the solar wind particles are absorbed at its surface, resulting in the formation of the lunar wake at the nightside. The solar wind magnetic field is basically convected through the Moon and the wake is slowly filled up with solar wind particles. However, this interaction is strongly influenced by the highly dynamic solar wind during the flyby. This is considered by a dynamic variation of the upstream conditions in the simulation using OMNI solar wind measurement data. By this method, a very good agreement between simulation and observations is achieved. The simulations show that the stationary structure of the lunar wake constitutes a tableau vivant in space representing the well-known Friedrichs diagram for MHD waves.

  19. A Hybrid Model for Smoke Simulation

    Institute of Scientific and Technical Information of China (English)

    童若锋; 董金祥

    2002-01-01

    A smoke simulation approach based on the integration of traditional particlesystems and density functions is presented in this paper. By attaching a density function toeach particle as its attribute, the diffusion of smoke can be described by the variation of parti-cles' density functions, along with the effect on airflow by controlling particles' movement andfragmentation. In addition, a continuous density field for realistic rendering can be generatedquickly through the look-up tables of particle's density functions. Compared with traditionalparticle systems, this approach can describe smoke diffusion, and provide a continuous densityfield for realistic rendering with much less computation. A quick rendering scheme is also pre-sented in this paper as a useful preview tool for tuning appropriate parameters in the smokemodel.

  20. Characteristic of Ion loss as determined by hybrid simulations

    Science.gov (United States)

    Brecht, Stephen H.; Ledvina, Stephen

    2016-10-01

    One of the major objectives of the MAVEN mission is to determine the loss rate of oxygen ions from the atmosphere of Mars. It is thought that the oxygen ion loss represents a conduit for the loss of water from Mars. However, the actual measurements and estimates of global loss rates are very difficult because one needs an average over many orbits and full coverage of the loss regions of Mars; something that MAVEN will only accomplish with an extended mission. In the meantime global kinetic simulations are an avenue to gain further insight into the loss process and perhaps offer insight into the data analysis that will be performed on the MAVEN data. Hybrid particle codes provide self-consistent simulations of the ion dynamics occurring when the solar wind interacts with Mars.This paper reports the results of HALFSHEL hybrid code simulations of the solar wind interaction with Mars and the subsequent loss of oxygen ions in the form of O+ and O2+. Four simulations were performed representing different orientations of the crustal magnetic fields with the subsolar regions using a solar EUV flux representative of the moderate solar activity experienced by MAVEN. Loss rates will be presented as will evaluations of the distribution functions of the various loss ion species as accumulated at roughly 2 Rm for each of the four simulations. The results will be presented as faces on a box surrounding Mars so that one can evaluate regions such as that of the measured plasma plume. The plume feature has now been measured and is often seen in simulations. Finally, the losses and the subsequent velocity distributions will be compared between the various crustal magnetic field orientations.In summary, results from the HALFSHEL hybrid code will be presented. These results will address characteristics of the oxygen ions lost from Mars as a function of crustal magnetic field orientation. Further, they will be compared with respect to the regions surrounding Mars and the associated

  1. Micromagnetic simulation of a ferromagnetic particle

    Directory of Open Access Journals (Sweden)

    Ntallis N.

    2014-01-01

    Full Text Available In this work, the magnetic behaviour of a ferromagnetic particle has been investigated by means of micromagnetic modelling, using the Finite Element Method. The simulations were performed on an ellipsoidal particle with uniaxial magnetocrystalline anisotropy by varying the anisotropy constant, the shape and dimensions of the particle. The results indicate the critical particle size for different reversal modes. Above a critical size the formation and motion of domain walls is clearly observed. The associated nucleation and coercive fields are estimated from the demagnetization curves.

  2. Fully resolved simulations of particle sedimentation

    Science.gov (United States)

    Sierakowski, Adam; Wang, Yayun; Prosperetti, Andrea

    2014-11-01

    Progress in computational capabilities - and specifically in the realm of massively parallel architectures - render possible the simulation of fully resolved fluid-particle systems. This development will drastically improve physical understanding and modelling of these systems when the particle size is not negligible and their concentration appreciable. Using a newly developed GPU-centric implementation of the Physalis method for the solution of the incompressible Navier-Stokes equations in the presence of finite-sized spheres, we carry out fully resolved simulations of more than one thousand sedimenting spheres. We discuss the results of these simulations focusing on statistical aspects such as particle velocity fluctuations, particle pair distribution function, microstructure, and others. Supported by NSF Grant CBET 1335965.

  3. Process to create simulated lunar agglutinate particles

    Science.gov (United States)

    Gustafson, Robert J. (Inventor); Gustafson, Marty A. (Inventor); White, Brant C. (Inventor)

    2011-01-01

    A method of creating simulated agglutinate particles by applying a heat source sufficient to partially melt a raw material is provided. The raw material is preferably any lunar soil simulant, crushed mineral, mixture of crushed minerals, or similar material, and the heat source creates localized heating of the raw material.

  4. Developing integrated patient pathways using hybrid simulation

    Science.gov (United States)

    Zulkepli, Jafri; Eldabi, Tillal

    2016-10-01

    Integrated patient pathways includes several departments, i.e. healthcare which includes emergency care and inpatient ward; intermediate care which patient(s) will stay for a maximum of two weeks and at the same time be assessed by assessment team to find the most suitable care; and social care. The reason behind introducing the intermediate care in western countries was to reduce the rate of patients that stays in the hospital especially for elderly patients. This type of care setting has been considered to be set up in some other countries including Malaysia. Therefore, to assess the advantages of introducing this type of integrated healthcare setting, we suggest develop the model using simulation technique. We argue that single simulation technique is not viable enough to represent this type of patient pathways. Therefore, we suggest develop this model using hybrid techniques, i.e. System Dynamics (SD) and Discrete Event Simulation (DES). Based on hybrid model result, we argued that the result is viable to be as references for decision making process.

  5. Micromagnetic simulations of spinel ferrite particles

    Energy Technology Data Exchange (ETDEWEB)

    Dantas, Christine C., E-mail: ccdantas@iae.cta.b [Divisao de Materiais (AMR), Instituto de Aeronautica e Espaco (IAE), Departamento de Ciencia e Tecnologia Aeroespacial - DCTA (Brazil); Gama, Adriana M., E-mail: adriana-gama@uol.com.b [Divisao de Materiais (AMR), Instituto de Aeronautica e Espaco (IAE), Departamento de Ciencia e Tecnologia Aeroespacial - DCTA (Brazil)

    2010-10-15

    This paper presents the results of simulations of the magnetization field ac response (at 2-12 GHz) of various submicron ferrite particles (cylindrical dots). The ferrites in the present simulations have the spinel structure, expressed here by M{sub 1}-{sub n}Zn{sub n}Fe{sub 2}O{sub 4} (where M stands for a divalent metal), and the parameters chosen were the following: (a) for n=0: M={l_brace}Fe, Mn, Co, Ni, Mg, Cu {r_brace}; (b) for n=0.1: M = {l_brace}Fe, Mg{r_brace} (mixed ferrites). These runs represent full 3D micromagnetic (one-particle) ferrite simulations. We find evidences of confined spin waves in all simulations, as well as a complex behavior nearby the main resonance peak in the case of the M = {l_brace}Mg, Cu{r_brace} ferrites. A comparison of the n=0 and n=0.1 cases for fixed M reveals a significant change in the spectra in M = Mg ferrites, but only a minor change in the M=Fe case. An additional larger scale simulation of a 3 by 3 particle array was performed using similar conditions of the Fe{sub 3}O{sub 4} (magnetite; n=0, M = Fe) one-particle simulation. We find that the main resonance peak of the Fe{sub 3}O{sub 4} one-particle simulation is disfigured in the corresponding 3 by 3 particle simulation, indicating the extent to which dipolar interactions are able to affect the main resonance peak in that magnetic compound.

  6. Cluster hybrid Monte Carlo simulation algorithms

    Science.gov (United States)

    Plascak, J. A.; Ferrenberg, Alan M.; Landau, D. P.

    2002-06-01

    We show that addition of Metropolis single spin flips to the Wolff cluster-flipping Monte Carlo procedure leads to a dramatic increase in performance for the spin-1/2 Ising model. We also show that adding Wolff cluster flipping to the Metropolis or heat bath algorithms in systems where just cluster flipping is not immediately obvious (such as the spin-3/2 Ising model) can substantially reduce the statistical errors of the simulations. A further advantage of these methods is that systematic errors introduced by the use of imperfect random-number generation may be largely healed by hybridizing single spin flips with cluster flipping.

  7. A Fast Hybrid Approach to Air Shower Simulations and Applications

    CERN Document Server

    Drescher, H J; Bleicher, M; Reiter, M; Soff, S; Stöcker, H; Stoecker, Horst

    2003-01-01

    The SENECA model, a new hybrid approach to air shower simulations, is presented. It combines the use of efficient cascade equations in the energy range where a shower can be treated as one-dimensional, with a traditional Monte Carlo method which traces individual particles. This allows one to reproduce natural fluctuations of individual showers as well as the lateral spread of low energy particles. The model is quite efficient in computation time. As an application of the new approach, the influence of the low energy hadronic models on shower properties for AUGER energies is studied. We conclude that these models have a significant impact on the tails of lateral distribution functions, and deserve therefore more attention.

  8. Hybridizing Particle Swarm Optimization and Differential Evolution for the Mobile Robot Global Path Planning

    Directory of Open Access Journals (Sweden)

    Biwei Tang

    2016-05-01

    Full Text Available Global path planning is a challenging issue in the filed of mobile robotics due to its complexity and the nature of nondeterministic polynomial-time hard (NP-hard. Particle swarm optimization (PSO has gained increasing popularity in global path planning due to its simplicity and high convergence speed. However, since the basic PSO has difficulties balancing exploration and exploitation, and suffers from stagnation, its efficiency in solving global path planning may be restricted. Aiming at overcoming these drawbacks and solving the global path planning problem efficiently, this paper proposes a hybrid PSO algorithm that hybridizes PSO and differential evolution (DE algorithms. To dynamically adjust the exploration and exploitation abilities of the hybrid PSO, a novel PSO, the nonlinear time-varying PSO (NTVPSO, is proposed for updating the velocities and positions of particles in the hybrid PSO. In an attempt to avoid stagnation, a modified DE, the ranking-based self adaptive DE (RBSADE, is developed to evolve the personal best experience of particles in the hybrid PSO. The proposed algorithm is compared with four state-of-the-art evolutionary algorithms. Simulation results show that the proposed algorithm is highly competitive in terms of path optimality and can be considered as a vital alternative for solving global path planning.

  9. Hybrid discrete particle swarm optimization algorithm for capacitated vehicle routing problem

    Institute of Scientific and Technical Information of China (English)

    2006-01-01

    Capacitated vehicle routing problem (CVRP) is an NP-hard problem. For large-scale problems, it is quite difficult to achieve an optimal solution with traditional optimization methods due to the high computational complexity. A new hybrid approximation algorithm is developed in this work to solve the problem. In the hybrid algorithm, discrete particle swarm optimization (DPSO) combines global search and local search to search for the optimal results and simulated annealing (SA) uses certain probability to avoid being trapped in a local optimum. The computational study showed that the proposed algorithm is a feasible and effective approach for capacitated vehicle routing problem, especially for large scale problems.

  10. Direct simulation of particle-laden fluids

    Energy Technology Data Exchange (ETDEWEB)

    COOK,BENJAMIN K.; NOBLE,DAVID R.; PREECE,DALE S.; WILLIAMS,J.R.

    2000-05-10

    Processes that involve particle-laden fluids are common in geomechanics and especially in the petroleum industry. Understanding the physics of these processes and the ability to predict their behavior requires the development of coupled fluid-flow and particle-motion computational methods. This paper outlines an accurate and robust coupled computational scheme using the lattice-Boltzmann method for fluid flow and the discrete-element method for solid particle motion. Results from several two-dimensional validation simulations are presented. Simulations reported include the sedimentation of an ellipse, a disc and two interacting discs in a closed column of fluid. The recently discovered phenomenon of drafting, kissing, and tumbling is fully reproduced in the two-disc simulation.

  11. Hybrid Simulations of Pluto's Plasma Interaction

    Science.gov (United States)

    Feyerabend, M.; Simon, S.; Motschmann, U.; Liuzzo, L.

    2016-12-01

    We study the interaction between Pluto and the solar wind at the time of the New Horizons (NH) flyby by applying a hybrid (kinetic ions, fluid electrons) simulation model. The use of a hybrid model is necessary since the gyroradii of the involved ion species are more than an order of magnitude larger than the obstacle to the solar wind and thus, Pluto's interaction region displays considerable asymmetries. We investigate the three-dimensional structure and extension of the various plasma signatures seen along the NH trajectory. Especially, we will constrain possible asymmetries in the shape of Pluto's bow shock, plasma tail and Plutopause (i.e., the boundary between the solar wind and the population of plutogenic ions) which may arise from the large ion gyroradii. Starting from the upstream solar wind parameters measured by NH, we investigate the dependency of these plasma signatures on the density of Pluto's ionosphere and on the solar wind ram pressure. We also include Pluto's largest moon Charon into the simulation model and study the simultaneous interaction between both bodies and the solar wind. Data from NH suggest that Charon mainly acts as a plasma absorber without an appreciable atmosphere. For various relative positions of Pluto and Charon, we investigate the deformation of Charon's wake when exposed to the inhomogeneous plasma flow in the Pluto interaction region, as well as a possible feedback of Charon on the structure of Pluto's induced magnetosphere.

  12. Discrete particle simulation of mixed sand transport

    Institute of Scientific and Technical Information of China (English)

    Fengjun Xiao; Liejin Guo; Debiao Li; Yueshe Wang

    2012-01-01

    An Eulerian/Lagrangian numerical simulation is performed on mixed sand transport.Volume averaged Navier-Stokes equations are solved to calculate gas motion,and particle motion is calculated using Newton's equation,involving a hard sphere model to describe particle-to-particle and particle-to-wall collisions.The influence of wall characteristics,size distribution of sand particles and boundary layer depth on vertical distribution of sand mass flux and particle mean horizontal velocity is analyzed,suggesting that all these three factors affect sand transport at different levels.In all cases,for small size groups,sand mass flux first increases with height and then decreases while for large size groups,it decreases exponentially with height and for middle size groups the behavior is in-between.The mean horizontal velocity for all size groups well fits experimental data,that is,increasing logarithmically with height in the middle height region.Wall characteristics greatly affects particle to wall collision and makes the flat bed similar to a Gobi surface and the rough bed similar to a sandy surface.Particle size distribution largely affects the sand mass flux and the highest heights they can reach especially for larger particles.

  13. HYBRID AND CHARACTERISTIC OF POLYANILINE- BARIUM TITANATE NANOCOMPOSITE PARTICLES

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Polyaniline-barium titanate (PAn-BaTiO3) ultrafine composite particles were prepared by the oxidative polymerization of aniline with H2O2 while barium titanate nanoparticles were synthesized with a sol-gel method. The infrared spectrogram shows that the polymerization of PAn in the hybrid process of PAn-BaTiO3 is similar with the polymeric process of pure aniline, and there is interaction of PAn and BaTiO3 in the PAn-BaTiO3. SEM and TEM results show that the average diameter of the composite particles is 1.50 μm and the diameters of BaTiO3 nanoparticles are 5-15 nm in the composite particle. The electrical conductivity of the ultrafine composite particles is transformable from 100 to 10-11S/cm by equilibrium doping or dedoping method using various concentration of HCl or NaOH solutions.

  14. Petascale Flow Simulations Using Particles and Grids

    Science.gov (United States)

    Koumoutsakos, Petros

    2014-11-01

    How to chose the discretization of flow models in order to harness the power of available computer architectures? Our group explores this question for particle (vortex methods, molecular and dissipative particle dynamics) and grid based (finite difference, finite volume) discretisations for flow simulations across scales. I will discuss methodologies to transition between these methods and their implementation in massively parallel computer architectures. I will present simulations ranging from flows of cells in microfluidic channels to cloud cavitation collapse at 14.5 PFLOP/s. This research was supported by the European Research Council, the Swiss National Science Foundation and the Swiss National Supercomputing Center.

  15. Hybrid three-dimensional variation and particle filtering for nonlinear systems

    Institute of Scientific and Technical Information of China (English)

    Leng Hong-Ze; Song Jun-Qiang

    2013-01-01

    This work addresses the problem of estimating the states of nonlinear dynamic systems with sparse observations.We present a hybrid three-dimensional variation (3DVar) and particle piltering (PF) method,which combines the advantages of 3DVar and particle-based filters.By minimizing the cost function,this approach will produce a better proposal distribution of the state.Afterwards the stochastic resampling step in standard PF can be avoided through a deterministic scheme.The simulation results show that the performance of the new method is superior to the traditional ensemble Kalman filtering (EnKF) and the standard PF,especially in highly nonlinear systems.

  16. Lower-Hybrid Drift Instability Saturation Mechanisms in One-Dimensional Simulations,

    Science.gov (United States)

    1980-09-19

    The linear properties and saturation mechanisms of the lower-hybrid drift instability have been investigated using a one-dimensional particle-hybrid simulation. For low drift velocities (V sub d much less than V sub ti), ion trapping and current relaxation (V sub d approaches limit of 0) are competing processes for stabilization. If the relative electron-ion drift velocity is kept constant in time , ion trapping causes

  17. Hybrid simulation of whistler excitation by electron beams in two-dimensional non-periodic domains

    Energy Technology Data Exchange (ETDEWEB)

    Woodroffe, J.R., E-mail: woodrofj@erau.edu; Streltsov, A.V., E-mail: streltsa@erau.edu

    2014-11-01

    We present a two-dimensional hybrid fluid-PIC scheme for the simulation of whistler wave excitation by relativistic electron beams. This scheme includes a number of features which are novel to simulations of this type, including non-periodic boundary conditions and fresh particle injection. Results from our model suggest that non-periodicity of the simulation domain results in the development of fundamentally different wave characteristics than are observed in periodic domains.

  18. Speeding Up Simulations By Slowing Down Particles: Speed-Limited Particle-In-Cell Simulation

    CERN Document Server

    Werner, Gregory R

    2015-01-01

    Particle-in-cell (PIC) simulation is often impractical for the same reason that it is powerful: it includes too much physics. Sometimes the mere ability to simulate physics on small length or time scales requires those scales to be resolved (by the cell size and timestep) to avoid instability, even when the effects at those scales contribute negligibly to the phenomenon motivating the simulation. For example, a timestep larger than the inverse plasma frequency will often result in unphysical growth of plasma oscillations, even in simulations where plasma oscillations should not arise at all. Larger timesteps are possible in simulations based on reduced physics models, such as MHD or gyrokinetics, or in simulations with implicit time-advances. A new method, speed-limited PIC (SLPIC) simulation, allows larger timesteps without reduced physics and with an explicit time-advance. The SLPIC method slows down fast particles while still accurately representing the particle distribution. SLPIC is valid when fields and...

  19. From particle simulations to macroscopic constitutive relations

    NARCIS (Netherlands)

    Göncü, F.; Luding, S.

    2010-01-01

    The goal is to determine the constitutive behavior of granular packings under various deformations (isotropic and anisotropic) from particle simulations. For this we consider deformations, stress, structure and the contact forces as the basis. In a previous study [6,7] we investigated using DEM, the

  20. Accelerating Climate Simulations Through Hybrid Computing

    Science.gov (United States)

    Zhou, Shujia; Sinno, Scott; Cruz, Carlos; Purcell, Mark

    2009-01-01

    Unconventional multi-core processors (e.g., IBM Cell B/E and NYIDIDA GPU) have emerged as accelerators in climate simulation. However, climate models typically run on parallel computers with conventional processors (e.g., Intel and AMD) using MPI. Connecting accelerators to this architecture efficiently and easily becomes a critical issue. When using MPI for connection, we identified two challenges: (1) identical MPI implementation is required in both systems, and; (2) existing MPI code must be modified to accommodate the accelerators. In response, we have extended and deployed IBM Dynamic Application Virtualization (DAV) in a hybrid computing prototype system (one blade with two Intel quad-core processors, two IBM QS22 Cell blades, connected with Infiniband), allowing for seamlessly offloading compute-intensive functions to remote, heterogeneous accelerators in a scalable, load-balanced manner. Currently, a climate solar radiation model running with multiple MPI processes has been offloaded to multiple Cell blades with approx.10% network overhead.

  1. Hybrid simulation: an active power filter case study

    Directory of Open Access Journals (Sweden)

    Y. A. Garcés

    2011-10-01

    Full Text Available The hybrid simulation concept consisting of a combination of computer simulation and laboratory tests. This approach is a cost effective alternative to physically testing the whole system and allows better understanding of complex coupled systems.This paper describes implementing an active power filter (APF hybrid prototype where the source system and load are implemented as a real-time simulation and the system of static power converter acting as an active power filter is implemented in physical hardware. It also confirmed the hybrid simulation results by implementing the simulation in MATLAB-Simulink regarding the same system implemented during the active power filter analysis and design stage.

  2. Generation of Well-Relaxed All-Atom Models of Large Molecular Weight Polymer Melts: A Hybrid Particle-Continuum Approach Based on Particle-Field Molecular Dynamics Simulations.

    Science.gov (United States)

    De Nicola, Antonio; Kawakatsu, Toshihiro; Milano, Giuseppe

    2014-12-09

    A procedure based on Molecular Dynamics (MD) simulations employing soft potentials derived from self-consistent field (SCF) theory (named MD-SCF) able to generate well-relaxed all-atom structures of polymer melts is proposed. All-atom structures having structural correlations indistinguishable from ones obtained by long MD relaxations have been obtained for poly(methyl methacrylate) (PMMA) and poly(ethylene oxide) (PEO) melts. The proposed procedure leads to computational costs mainly related on system size rather than to the chain length. Several advantages of the proposed procedure over current coarse-graining/reverse mapping strategies are apparent. No parametrization is needed to generate relaxed structures of different polymers at different scales or resolutions. There is no need for special algorithms or back-mapping schemes to change the resolution of the models. This characteristic makes the procedure general and its extension to other polymer architectures straightforward. A similar procedure can be easily extended to the generation of all-atom structures of block copolymer melts and polymer nanocomposites.

  3. Particle production and chemical freezeout from the hybrid UrQMD approach at NICA energies

    CERN Document Server

    Tawfik, Abdel Nasser; Shalaby, Asmaa G; Hanafy, Mahmoud; Sorin, Alexander; Rogachevsky, Oleg; Scheinast, Werner

    2016-01-01

    The energy dependence of various particle ratios is calculated within the Ultra-Relativistic Quantum Molecular Dynamics approach and compared with the hadron resonance gas (HRG) model and measurements from various experiments, including RHIC-BES, SPS and AGS. It is found that the UrQMD particle ratios agree well with the experimental results at the RHIC-BES energies. Thus, we have utilized UrQMD in simulating particle ratios at other beam energies down to 3 GeV, which will be accessed at NICA and FAIR future facilities. We observe that the particle ratios for crossover and first-order phase transition, implemented in the hybrid UrQMD v3.4, are nearly indistinguishable, especially at low energies (at large baryon chemical potentials or high density).

  4. Particle production and chemical freezeout from the hybrid UrQMD approach at NICA energies

    Energy Technology Data Exchange (ETDEWEB)

    Nasser Tawfik, Abdel [Modern University for Technology and Information (MTI), Egyptian Center for Theoretical Physics (ECTP), Cairo (Egypt); World Laboratory for Cosmology and Particle Physics (WLCAPP), Cairo (Egypt); Abou-Salem, Loutfy I. [Benha University, Physics Department, Faculty of Science, Benha (Egypt); Shalaby, Asmaa G.; Hanafy, Mahmoud [World Laboratory for Cosmology and Particle Physics (WLCAPP), Cairo (Egypt); Benha University, Physics Department, Faculty of Science, Benha (Egypt); Sorin, Alexander [Joint Institute for Nuclear Research, Bogoliubov Laboratory of Theoretical Physics, Dubna, Moscow region (Russian Federation); Joint Institute for Nuclear Research, Veksler and Baldin Laboratory of High Energy Physics, Dubna, Moscow region (Russian Federation); National Research Nuclear University (MEPhI), Moscow (Russian Federation); Dubna International University, Dubna (Russian Federation); Rogachevsky, Oleg; Scheinast, Werner [Joint Institute for Nuclear Research, Veksler and Baldin Laboratory of High Energy Physics, Dubna, Moscow region (Russian Federation)

    2016-10-15

    The energy dependence of various particle ratios is calculated within the Ultra-relativistic Quantum Molecular Dynamics approach and compared with the hadron resonance gas (HRG) model and measurements from various experiments, including RHIC-BES, SPS and AGS. It is found that the UrQMD particle ratios agree well with the experimental results at the RHIC-BES energies. Thus, we have utilized UrQMD in simulating particle ratios at other beam energies down to 3GeV, which will be accessed at NICA and FAIR future facilities. We observe that the particle ratios for crossover and first-order phase transition, implemented in the hybrid UrQMD v3.4, are nearly indistinguishable, especially at low energies (at large baryon chemical potentials or high density). (orig.)

  5. Efficient and Scalable Algorithms for Smoothed Particle Hydrodynamics on Hybrid Shared/Distributed-Memory Architectures

    CERN Document Server

    Gonnet, Pedro

    2014-01-01

    This paper describes a new fast and implicitly parallel approach to neighbour-finding in multi-resolution Smoothed Particle Hydrodynamics (SPH) simulations. This new approach is based on hierarchical cell decompositions and sorted interactions, within a task-based formulation. It is shown to be faster than traditional tree-based codes, and to scale better than domain decomposition-based approaches on hybrid shared/distributed-memory parallel architectures, e.g. clusters of multi-cores, achieving a $40\\times$ speedup over the Gadget-2 simulation code.

  6. GPU-Enabled Particle-Particle Particle-Tree Scheme for Simulating Dense Stellar Cluster System

    CERN Document Server

    Iwasawa, Masaki; Makino, Junichiro

    2015-01-01

    We describe the implementation and performance of the ${\\rm P^3T}$ (Particle-Particle Particle-Tree) scheme for simulating dense stellar systems. In ${\\rm P^3T}$, the force experienced by a particle is split into short-range and long-range contributions. Short-range forces are evaluated by direct summation and integrated with the fourth order Hermite predictor-corrector method with the block timesteps. For long-range forces, we use a combination of the Barnes-Hut tree code and the leapfrog integrator. The tree part of our simulation environment is accelerated using graphical processing units (GPU), whereas the direct summation is carried out on the host CPU. Our code gives excellent performance and accuracy for star cluster simulations with a large number of particles even when the core size of the star cluster is small.

  7. Computer Models Simulate Fine Particle Dispersion

    Science.gov (United States)

    2010-01-01

    Through a NASA Seed Fund partnership with DEM Solutions Inc., of Lebanon, New Hampshire, scientists at Kennedy Space Center refined existing software to study the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces. The software, EDEM, allows users to import particles and obtain accurate representations of their shapes for modeling purposes, such as simulating bulk solids behavior, and was enhanced to be able to more accurately model fine, abrasive, cohesive particles. These new EDEM capabilities can be applied in many industries unrelated to space exploration and have been adopted by several prominent U.S. companies, including John Deere, Pfizer, and Procter & Gamble.

  8. Hybrid Decomposition Method in Parallel Molecular Dynamics Simulation Based on SMP Cluster Architecture

    Institute of Scientific and Technical Information of China (English)

    WANG Bing; SHU Jiwu; ZHENG Weimin; WANG Jinzhao; CHEN Min

    2005-01-01

    A hybrid decomposition method for molecular dynamics simulations was presented, using simultaneously spatial decomposition and force decomposition to fit the architecture of a cluster of symmetric multi-processor (SMP) nodes. The method distributes particles between nodes based on the spatial decomposition strategy to reduce inter-node communication costs. The method also partitions particle pairs within each node using the force decomposition strategy to improve the load balance for each node. Simulation results for a nucleation process with 4 000 000 particles show that the hybrid method achieves better parallel performance than either spatial or force decomposition alone, especially when applied to a large scale particle system with non-uniform spatial density.

  9. Hybrid method of solution applied to simulation of pulse chromatography

    Directory of Open Access Journals (Sweden)

    M. A. Cremasco

    2009-06-01

    Full Text Available In this communication, the method proposed by Cremasco et al. (2003 is applied to predict single and low concentration pulse chromatography. In previous work, a general rate model was presented to describe the breakthrough curve, where a hybrid solution was proposed for the linear adsorption. The liquid phase concentration inside the particle was found analytically and related with the bed liquid phase through Duhamel's Theorem, while the bulk-phase equation was solved by a numerical method. In this paper, this method is applied to describe pulse chromatography of solutes that present linear adsorption isotherms. The simulated results of pulse chromatography are compared with experimental ones for aromatic amino acid experiments from literature.

  10. Hybrid simulations of mini-magnetospheres in the laboratory

    CERN Document Server

    Gargaté, L; Fonseca, R A; Bamford, R; Thornton, A; Gibson, K; Bradford, J; Silva, L O

    2008-01-01

    Solar energetic ions are a known hazard to both spacecraft electronics and to manned space flights in interplanetary space missions that extend over a long period of time. A dipole-like magnetic field and a plasma source, forming a mini magnetosphere, are being tested in the laboratory as means of protection against such hazards. We investigate, via particle-in-cell hybrid simulations, using kinetic ions and fluid electrons, the characteristics of the mini magnetospheres. Our results, for parameters identical to the experimental conditions, reveal the formation of a mini-magnetosphere, whose features are scanned with respect to the plasma density, the plasma flow velocity, and the intensity of the dipole field. Comparisons with a simplified theoretical model reveal a good qualitative agreement and excellent quantitative agreement for higher plasma dynamic pressures and lower B-fields.

  11. Comparing particle-resolved simulation methods for moving particles in a viscous fluid

    Science.gov (United States)

    Wang, Lian-Ping; Gao, Hui; Luo, Li-Shi; Peng, Yan; Yeo, Kyong Min; Maxey, Martin R.

    2008-11-01

    In recent years, quite a few particle-resolved simulation methods have emerged for treating moving solid particles in a viscous fluid. A common advantageous feature shared by these methods is the use of a simple fixed mesh. The no-slip boundary condition on the surface of a particle is handled locally by a consistent coupling or interaction scheme. Here we examine four such methods: lattice Boltzmann equation (LBE) with interpolated bounce back scheme, LBE with immersed boundary method, a hybrid method (Physalis) developed by Prosperetti and co-workers, and a force-coupling method. Our main objective is to inter-compare these methods in terms of accuracy of the simulated flow field, force / torque, and computational efficiency. Two benchmark cases are used: a particle moving in a 3D Couette flow and a 3D flow induced by a spinning sphere at finite Reynolds number. The results are discussed in terms of flow Reynolds number and geometric parameters. We will also comment on the range of relevant physical parameters accessible in these methods.

  12. Simulating frictional contact in smoothed particle hydrodynamics

    Institute of Scientific and Technical Information of China (English)

    WANG; Jian; WU; Hao; GU; ChongShi; HUA; Hui

    2013-01-01

    Smoothed Particle Hydrodynamics (SPH) is a powerful tool for large deformation computation of soil flow. However, the method to simulate frictional contact in the framework of SPH is still absent and needs to be developed. This paper presents an algorithm to simulate frictional contact between soil and rigid or deformable structure in the framework of SPH. In this algo-rithm, the computational domain is divided into several sub-domains according to the existing contact boundaries, and contact forces are used as bridges of these sub-domains to fulfill problem solving. In the process of the SPH discretization for govern-ing equation of each sub-domain, the inherent problem of boundary deficiency of SPH is handled properly. Therefore, the par-ticles located at contact boundary can have precise acceleration, which is critical for contact detection. Then, based on the as-sumption that the SPH particle of soil can slightly penetrate into the structure, the contact forces along normal and tangential directions of the contact surface are computed by momentum principle, and the frictional force is modified if sliding occurs.Compared with previous methods, in which only particle-to-particle contact is considered or frictional sliding is just ignored,the method proposed in this study is more efficient and accurate, and is suitable for simulating interaction between soft materi-als and rigid or deformable structures, which are very common in geotechnical engineering. A number of numerical tests have been carried out to verify the accuracy and stability of the proposed algorithm, and the results have been compared with ana-lytical solutions or FEM results. The consistency obtained from these comparisons indicates that the algorithm is robust and can enhance the computing capability of SPH.

  13. A Comparative Study of Several Hybrid Particle Swarm Algorithms for Function Optimization

    Directory of Open Access Journals (Sweden)

    Yanhua Zhong

    2012-11-01

    Full Text Available Currently, the researchers have made a lot of hybrid particle swarm algorithm in order to solve the shortcomings that the Particle Swarm Algorithms is easy to converge to local extremum, these algorithms declare that there has been better than the standard particle swarm. This study selects three kinds of representative hybrid particle swarm optimizations (differential evolution particle swarm optimization, GA particle swarm optimization, quantum particle swarm optimization and the standard particle swarm optimization to test with three objective functions. We compare evolutionary algorithm performance by a fixed number of iterations of the convergence speed and accuracy and the number of iterations under the fixed convergence precision; analyzing these types of hybrid particle swarm optimization results and practical performance. Test results show hybrid particle algorithm performance has improved significantly.

  14. A Comparative Study of Several Hybrid Particle Swarm Algorithms for Function Optimization

    Directory of Open Access Journals (Sweden)

    Yanhua Zhong

    2013-01-01

    Full Text Available Currently, the researchers have made a lot of hybrid particle swarm algorithm in order to solve the shortcomings that the Particle Swarm Algorithms is easy to converge to local extremum, these algorithms declare that there has been better than the standard particle swarm. This study selects three kinds of representative hybrid particle swarm optimizations (differential evolution particle swarm optimization, GA particle swarm optimization, quantum particle swarm optimization and the standard particle swarm optimization to test with three objective functions. We compare evolutionary algorithm performance by a fixed number of iterations of the convergence speed and accuracy and the number of iterations under the fixed convergence precision, analyzing these types of hybrid particle swarm optimization results and practical performance. Test results show hybrid particle algorithm performance has improved significantly.

  15. Numerical Simulation of Particle Mixing in Dispersed Gas-Liquid-Solid Flows using a Combined Volume of Fluid and Discrete Particle Approach

    NARCIS (Netherlands)

    Deen, Niels G.; Sint Annaland, van Martin; Kuipers, J.A.M.

    2007-01-01

    In this paper a hybrid model is presented for the numerical simulation of gas-liquid-solid flows using a combined Volume Of Fluid (VOF) and Discrete Particle (DP) approach applied for respectively dispersed gas bubbles and solid particles present in the continuous liquid phase. The hard sphere DP mo

  16. Direct numerical simulation of particle mixing in dispersed gas-liquid-solid flows using a combined volume of fluid and discrete particle approach

    NARCIS (Netherlands)

    Deen, Niels G.; Sint Annaland, van Martin; Kuipers, J.A.M.

    2006-01-01

    In this paper a hybrid model is presented for the numerical simulation of gas-liquid-solid flows using a combined Volume Of Fluid (VOF) and Discrete Particle (DP) approach applied for respectively dispersed gas bubbles and solid particles present in the continuous liquid phase. The hard sphere DP mo

  17. ALE-Phase-field simulations of floating particles

    Science.gov (United States)

    Yue, Pengtao

    2015-11-01

    In this talk, we will present a hybrid Arbitrary-Lagrangian-Eulerian(ALE)-Phase-Field method for the direct numerical simulation of multiphase flows where fluid interfaces, moving rigid particles, and moving contact lines coexist. Practical applications include Pickering emulsions, froth flotation, and biolocomotion at fluid interface. An ALE algorithm based on the finite element method and an adaptive moving mesh is used to track the moving boundaries of rigid particles. A phase-field method based on the same moving mesh is used to capture the fluid interfaces; meanwhile, the Cahn-Hilliard diffusion automatically takes care of the stress singularity at the moving contact line when a fluid interface intersects a solid surface. To fully resolve the diffuse interface, mesh is locally refined at the fluid interface. All the governing equations, i.e., equations for fluids, interfaces, and particles, are solved implicitly in a unified variational framework. In the end we will present some recent results on the water entry problem and the capillary interaction between floating particles (a.k.a. the Cheerios effect), with a focus on the effect of contact-line dynamics.

  18. A hybrid simulation model for a stable auroral arc

    Directory of Open Access Journals (Sweden)

    P. Janhunen

    Full Text Available We present a new type of hybrid simulation model, intended to simulate a single stable auroral arc in the latitude/altitude plane. The ionospheric ions are treated as particles, the electrons are assumed to follow a Boltzmann response and the magnetospheric ions are assumed to be so hot that they form a background population unaffected by the electric fields that arise. The system is driven by assumed parallel electron energisation causing a primary negative charge cloud and an associated potential structure to build up. The results show how a closed potential structure and density depletion of an auroral arc build up and how they decay after the driver is turned off. The model also produces upgoing energetic ion beams and predicts strong static perpendicular electric fields to be found in a relatively narrow altitude range (~ 5000–11 000 km.

    Key words. Magnetospheric physics (magnetosphere-ionosphere interactions; auroral phenomena – Space plasma physics (numerical simulation studies

  19. Hybrid2: The hybrid system simulation model, Version 1.0, user manual

    Energy Technology Data Exchange (ETDEWEB)

    Baring-Gould, E.I.

    1996-06-01

    In light of the large scale desire for energy in remote communities, especially in the developing world, the need for a detailed long term performance prediction model for hybrid power systems was seen. To meet these ends, engineers from the National Renewable Energy Laboratory (NREL) and the University of Massachusetts (UMass) have spent the last three years developing the Hybrid2 software. The Hybrid2 code provides a means to conduct long term, detailed simulations of the performance of a large array of hybrid power systems. This work acts as an introduction and users manual to the Hybrid2 software. The manual describes the Hybrid2 code, what is included with the software and instructs the user on the structure of the code. The manual also describes some of the major features of the Hybrid2 code as well as how to create projects and run hybrid system simulations. The Hybrid2 code test program is also discussed. Although every attempt has been made to make the Hybrid2 code easy to understand and use, this manual will allow many organizations to consider the long term advantages of using hybrid power systems instead of conventional petroleum based systems for remote power generation.

  20. Turbulence dissipation challenge: particle-in-cell simulations

    Science.gov (United States)

    Roytershteyn, V.; Karimabadi, H.; Omelchenko, Y.; Germaschewski, K.

    2015-12-01

    We discuss application of three particle in cell (PIC) codes to the problems relevant to turbulence dissipation challenge. VPIC is a fully kinetic code extensively used to study a variety of diverse problems ranging from laboratory plasmas to astrophysics. PSC is a flexible fully kinetic code offering a variety of algorithms that can be advantageous to turbulence simulations, including high order particle shapes, dynamic load balancing, and ability to efficiently run on Graphics Processing Units (GPUs). Finally, HYPERS is a novel hybrid (kinetic ions+fluid electrons) code, which utilizes asynchronous time advance and a number of other advanced algorithms. We present examples drawn both from large-scale turbulence simulations and from the test problems outlined by the turbulence dissipation challenge. Special attention is paid to such issues as the small-scale intermittency of inertial range turbulence, mode content of the sub-proton range of scales, the formation of electron-scale current sheets and the role of magnetic reconnection, as well as numerical challenges of applying PIC codes to simulations of astrophysical turbulence.

  1. Mercury-DPM: Fast particle simulations in complex geometries

    NARCIS (Netherlands)

    Thornton, A.R.; Krijgsman, D.; Fransen, R.H.A.; Gonzalez, S.; Tunuguntla, D.; Voortwis, te A.; Luding, S.; Bokhove, O.; Weinhart, T.

    2013-01-01

    Mercury-DPM is a code for performing discrete particle simulations. That is to say, it simulates the motion of particles, or atoms, by applying forces and torques that stem either from external body forces, (e.g. gravity, magnetic fields, etc…) or from particle interactions. For granular particles,

  2. Hybrid and Electric Advanced Vehicle Systems Simulation

    Science.gov (United States)

    Beach, R. F.; Hammond, R. A.; Mcgehee, R. K.

    1985-01-01

    Predefined components connected to represent wide variety of propulsion systems. Hybrid and Electric Advanced Vehicle System (HEAVY) computer program is flexible tool for evaluating performance and cost of electric and hybrid vehicle propulsion systems. Allows designer to quickly, conveniently, and economically predict performance of proposed drive train.

  3. Particle methods for simulation of subsurface multiphase fluid flow and biogeological processes

    Energy Technology Data Exchange (ETDEWEB)

    Meakin, Paul; Tartakovsky, Alexandre M.; Scheibe, Timothy D.; Tartakovsky, Daniel M.; Redden, George; Long, Philip E.; Brooks, Scott C.; Xu, Zhijie

    2007-08-01

    A number of particle models that are suitable for simulating multiphase fluid flow and biogeological processes have been developed during the last few decades. Here we discuss three of them: a microscopic model - molecular dynamics; a mesoscopic model - dissipative particle dynamics; and a macroscopic model - smoothed particle hydrodynamics. Particle methods are robust and versatile, and it is relatively easy to add additional physical, chemical and biological processes into particle codes. However, the computational efficiency of particle methods is low relative to continuum methods. Multiscale particle methods and hybrid (particle–particle and particle–continuum) methods are needed to improve computational efficiency and make effective use of emerging computational capabilities. These new methods are under development.

  4. Particle methods for simulation of subsurface multiphase fluid flow and biogeological processes

    Energy Technology Data Exchange (ETDEWEB)

    Paul Meakin; Alexandre Tartakovsky; Tim Scheibe; Daniel Tartakovsky; Georgr Redden; Philip E. Long; Scott C. Brooks; Zhijie Xu

    2007-06-01

    A number of particle models that are suitable for simulating multiphase fluid flow and biogeological processes have been developed during the last few decades. Here we discuss three of them: a microscopic model - molecular dynamics; a mesoscopic model - dissipative particle dynamics; and a macroscopic model - smoothed particle hydrodynamics. Particle methods are robust and versatile, and it is relatively easy to add additional physical, chemical and biological processes into particle codes. However, the computational efficiency of particle methods is low relative to continuum methods. Multiscale particle methods and hybrid (particle–particle and particle–continuum) methods are needed to improve computational efficiency and make effective use of emerging computational capabilities. These new methods are under development.

  5. Asymmetric backscattering from the hybrid magneto-electric meta particle

    Science.gov (United States)

    Kozlov, Vitali; Filonov, Dmitry; Shalin, Alexander S.; Steinberg, Ben Z.; Ginzburg, Pavel

    2016-11-01

    The optical theorem relates the total scattering cross-section of a given structure with its forward scattering, but does not impose any restrictions on other directions. Strong backward-forward asymmetry in scattering could be achieved by exploring retarded coupling between particles, exhibiting both electric and magnetic resonances. Here, a hybrid magneto-electric particle (HMEP), consisting of a split ring resonator acting as a magnetic dipole and a wire antenna acting as an electric dipole, is shown to possess asymmetric scattering properties. When illuminated from opposite directions with the same polarization of the electric field, the structure has exactly the same forward scattering, whereas the backward scattering is drastically different. The scattering cross section is shown to be as low as zero at a narrow frequency range when illuminated from one side, while being maximal at the same frequency range when illuminated from the other side. Theoretical predictions of the phenomena are supported with both numerical and experimental conformations, obtained at the GHz frequency range, and all are in a good agreement with each other. HMEP meta-particles could be used as building blocks for various metamaterials assembling solar cells, invisibility cloaks, holographic masks, etc.

  6. Electric and plug-in hybrid vehicles advanced simulation methodologies

    CERN Document Server

    Varga, Bogdan Ovidiu; Moldovanu, Dan; Iclodean, Calin

    2015-01-01

    This book is designed as an interdisciplinary platform for specialists working in electric and plug-in hybrid electric vehicles powertrain design and development, and for scientists who want to get access to information related to electric and hybrid vehicle energy management, efficiency and control. The book presents the methodology of simulation that allows the specialist to evaluate electric and hybrid vehicle powertrain energy flow, efficiency, range and consumption. The mathematics behind each electric and hybrid vehicle component is explained and for each specific vehicle the powertrain

  7. Three-dimensional direct particle simulation on the Connection Machine

    Science.gov (United States)

    Dagum, Leonardo

    1991-01-01

    This paper presents the algorithms necessary for an efficient data parallel implementation of a 3D particle simulation. In particular, a general master/slave algorithm and a fast sorting algorithm are described and the use of these algorithms in a particle simulation is outlined. A particle simulation using these algorithms has been implemented on a 32768 processor Connection Machine that is capable of simulating over 30 million particles at an average rate of 2.4-microsec/particle/step. Results are presented from the simulation of flow over an Aeroassisted Flight Experiment geometry at 100 km altitude.

  8. Temperature field simulation of laser-TIG hybrid welding

    Institute of Scientific and Technical Information of China (English)

    陈彦宾; 李俐群; 方俊飞; 封小松; 吴林

    2003-01-01

    The three-dimensional transient temperature distribution of laser-TIG hybrid welding was analyzed and simulated numerically. Calculations were based on a finite element model, in which the physical process of hybrid welding was studied and the coupling effect of the laser and arc in the hybrid process was fully considered. The temperature fields and weld cross-sections of the typical welding parameters are obtained using present model. The calculation results show that the model can indicate the relationship of energy match between laser and arc to joints cross-sections objectively, and the simulation results are well agreed with the experimental results.

  9. A semiclassical hybrid approach to many particle quantum dynamics

    Science.gov (United States)

    Grossmann, Frank

    2006-07-01

    We analytically derive a correlated approach for a mixed semiclassical many particle dynamics, treating a fraction of the degrees of freedom by the multitrajectory semiclassical initial value method of Herman and Kluk [Chem. Phys. 91, 27 (1984)] while approximately treating the dynamics of the remaining degrees of freedom with fixed initial phase space variables, analogously to the thawed Gaussian wave packet dynamics of Heller [J. Chem. Phys. 62, 1544 (1975)]. A first application of this hybrid approach to the well studied Secrest-Johnson [J. Chem. Phys. 45, 4556 (1966)] model of atom-diatomic collisions is promising. Results close to the quantum ones for correlation functions as well as scattering probabilities could be gained with considerably reduced numerical effort as compared to the full semiclassical Herman-Kluk approach. Furthermore, the harmonic nature of the different degrees of freedom can be determined a posteriori by comparing results with and without the additional approximation.

  10. Simulation of hybrid solar power plants

    Science.gov (United States)

    Dieckmann, Simon; Dersch, Jürgen

    2017-06-01

    Hybrid solar power plants have the potential to combine advantages of two different technologies at the cost of increased complexity. The present paper shows the potential of the software greenius for the techno-economic evaluation of hybrid solar power plants and discusses two exemplary scenarios. Depreciated Concentrated Solar Power (CSP) plants based on trough technology can be retrofitted with solar towers in order to reach higher steam cycle temperatures and hence efficiencies. Compared to a newly built tower plant the hybridization of a depreciated trough plant causes about 30% lower LCOE reaching 104 /MWh. The second hybrid scenario combines cost-efficient photovoltaics with dispatchable CSP technology. This hybrid plant offers very high capacity factors up to 69% based on 100% load from 8am to 11pm. The LCOE of the hybrid plant are only slightly lower (174 vs. 186 /MWh) compared to the pure CSP plant because the capital expenditure for thermal storage and power block remains the same while the electricity output is much lower.

  11. Hybrid Multi-Objective Particle Swarm Optimization for Flexible Job Shop Scheduling Problem

    Directory of Open Access Journals (Sweden)

    S. V. Kamble

    2015-03-01

    Full Text Available Hybrid algorithm based on Particle Swarm Optimization (PSO and Simulated annealing (SA is proposed, to solve Flexible Job Shop Scheduling with five objectives to be minimized simultaneously: makespan, maximal machine workload, total workload, machine idle time & total tardiness. Rescheduling strategy used to shuffle workload once the machine breakdown takes place in proposed algorithm. The hybrid algorithm combines the high global search efficiency of PSO with the powerful ability to avoid being trapped in local minimum of SA. A hybrid multi-objective PSO (MPSO and SA algorithm is proposed to identify an approximation of the pareto front for Flexible job shop scheduling (FJSSP. Pareto front and crowding distance is used for identify the fitness of particle. MPSO is significant to global search and SA used to local search. The proposed MPSO algorithm is experimentally applied on two benchmark data set. The result shows that the proposed algorithm is better in term quality of non-dominated solution compared to the other algorithms in the literature.

  12. Parallel pic plasma simulation through particle decomposition techniques

    Energy Technology Data Exchange (ETDEWEB)

    Briguglio, S.; Vlad, G. [ENEA, Centro Ricerche Casaccia, Rome (Italy). Dipt. Energia; Di Martino, B. [Wien Univ. (Austria). Inst. for Software Tecnology and Parallel Systems]|[Naples, Univ. `Federico II` (Italy). Dipt. di Informatica e Sistemistica

    1998-02-01

    Particle-in-cell (PIC) codes are among the major candidates to yield a satisfactory description of the detail of kinetic effects, such as the resonant wave-particle interaction, relevant in determining the transport mechanism in magnetically confined plasmas. A significant improvement of the simulation performance of such codes con be expected from parallelization, e.g., by distributing the particle population among several parallel processors. Parallelization of a hybrid magnetohydrodynamic-gyrokinetic code has been accomplished within the High Performance Fortran (HPF) framework, and tested on the IBM SP2 parallel system, using a `particle decomposition` technique. The adopted technique requires a moderate effort in porting the code in parallel form and results in intrinsic load balancing and modest inter processor communication. The performance tests obtained confirm the hypothesis of high effectiveness of the strategy, if targeted towards moderately parallel architectures. Optimal use of resources is also discussed with reference to a specific physics problem. [Italiano] I codici Particle-in-cell (PIC) sono considerati tra i piu` promettenti candidati per ottenere una descrizione soddisfacente e dettagliata degli effetti cinetici, quali per esempio l`interazione risonante particella-onda, rilevanti nel determinare i meccanismi di trasporto che interessano il confinamento del plasma. Un significativo miglioramento delle prestazioni della simulazione puo` essere ottenuto distribuendo la popolazione di particelle tra diversi processori in parallelo. La parallelizzazione di un codice ibrido MHD-girocinetico e` stata effettuata, in ambiente HPF, utilizzando la tecnica di `decomposizione per particelle`, ed e` stata provata sul sistema parallelo IBM SP2. La tecnica adottata richiede uno sforzo moderato per la trasformazione del codice in versione parallela, permette un intrinseco bilanciamento tra i processori del carico di lavoro e necessita di una modesta

  13. Shock Particle Interaction - Fully Resolved Simulations and Modeling

    Science.gov (United States)

    Mehta, Yash; Neal, Chris; Jackson, Thomas L.; Balachandar, S. "Bala"; Thakur, Siddharth

    2016-11-01

    Currently there is a substantial lack of fully resolved data for shock interacting with multiple particles. In this talk we will fill this gap by presenting results of shock interaction with 1-D array and 3-D structured arrays of particles. Objectives of performing fully resolved simulations of shock propagation through packs of multiple particles are twofold, 1) To understand the complicated physical phenomena occurring during shock particle interaction, and 2) To translate the knowledge from microscale simulations in building next generation point-particle models for macroscale simulations that can better predict the motion (forces) and heat transfer for particles. We compare results from multiple particle simulations against the single particle simulations and make relevant observations. The drag history and flow field for multiple particle simulations are markedly different from those of single particle simluations, highlighting the effect of neighboring particles. We propose new models which capture this effect of neighboring particles. These models are called Pair-wise Interaction Extended Point Particle models (PIEP). Effect of multiple neighboring particles is broken down into pair-wise interactions, and these pair-wise interactions are superimposed to get the final model U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, under Contract No. DE-NA0002378.

  14. Numerical simulation of gas-liquid-solid flows using a combined front tracking and discrete particle method

    NARCIS (Netherlands)

    Sint Annaland, van M.; Deen, N.G.; Kuipers, J.A.M.

    2005-01-01

    In this paper a hybrid model is presented for the numerical simulation of gas¿liquid¿solid flows using a combined front tracking (FT) and discrete particle (DP) approach applied for, respectively, dispersed gas bubbles and solid particles present in the continuous liquid phase. The hard sphere DP mo

  15. SKIRT: Hybrid parallelization of radiative transfer simulations

    Science.gov (United States)

    Verstocken, S.; Van De Putte, D.; Camps, P.; Baes, M.

    2017-07-01

    We describe the design, implementation and performance of the new hybrid parallelization scheme in our Monte Carlo radiative transfer code SKIRT, which has been used extensively for modelling the continuum radiation of dusty astrophysical systems including late-type galaxies and dusty tori. The hybrid scheme combines distributed memory parallelization, using the standard Message Passing Interface (MPI) to communicate between processes, and shared memory parallelization, providing multiple execution threads within each process to avoid duplication of data structures. The synchronization between multiple threads is accomplished through atomic operations without high-level locking (also called lock-free programming). This improves the scaling behaviour of the code and substantially simplifies the implementation of the hybrid scheme. The result is an extremely flexible solution that adjusts to the number of available nodes, processors and memory, and consequently performs well on a wide variety of computing architectures.

  16. Thermal simulation of a cooling system of hybrid commercial vehicles; Thermalsimulation eine Hybrid-LKW-Kuehlsystems

    Energy Technology Data Exchange (ETDEWEB)

    Stroh, Christoph; Schnoerch, Stefan; Rathberger, Christian [Magna Powertrain Engineering Center Steyr GmbH und Co. KG, St. Valentin (Austria)

    2012-11-01

    In the past few years hybrid vehicles have been in the center of automotive engineering efforts, in particular in the field of passenger cars. But hybrid powertrains will also be important for commercial trucks. This focus on hybrid vehicles leads to high demands on thermal management since the additional components in a hybrid vehicle need appropriate cooling or even heating. In the given paper the simulation of a complete cooling system of a hybrid commercial vehicle will be explained. For this virtual examination the commercial 1D thermal management software KULI will be used, a co-simulation with several programs will not be done deliberately. Yet all aspects which are relevant for a global assessment of the thermal management are considered. The main focus is put on the investigation of appropriate concepts for the fluid circuits, including low and high temperature circuits, electric water pumps, etc. Moreover, also a refrigerant circuit with a chiller for active battery cooling will be used, the appropriate control strategy is implemented as well. For simulating transient profiles a simple driving simulation model is included, using road profile, ambient conditions, and various vehicle parameters as input. In addition an engine model is included which enables the investigation of fuel consumption potentials. This simulation model shows how the thermal management of a hybrid vehicle can be investigated with a single program and with reasonable effort. (orig.)

  17. Operation management of daily economic dispatch using novel hybrid particle swarm optimization and gravitational search algorithm with hybrid mutation strategy

    Science.gov (United States)

    Wang, Yan; Huang, Song; Ji, Zhicheng

    2017-07-01

    This paper presents a hybrid particle swarm optimization and gravitational search algorithm based on hybrid mutation strategy (HGSAPSO-M) to optimize economic dispatch (ED) including distributed generations (DGs) considering market-based energy pricing. A daily ED model was formulated and a hybrid mutation strategy was adopted in HGSAPSO-M. The hybrid mutation strategy includes two mutation operators, chaotic mutation, Gaussian mutation. The proposed algorithm was tested on IEEE-33 bus and results show that the approach is effective for this problem.

  18. A Novel Hybrid Statistical Particle Swarm Optimization for Multimodal Functions and Frequency Control of Hybrid Wind-Solar System

    Science.gov (United States)

    Verma, Harish Kumar; Jain, Cheshta

    2016-09-01

    In this article, a hybrid algorithm of particle swarm optimization (PSO) with statistical parameter (HSPSO) is proposed. Basic PSO for shifted multimodal problems have low searching precision due to falling into a number of local minima. The proposed approach uses statistical characteristics to update the velocity of the particle to avoid local minima and help particles to search global optimum with improved convergence. The performance of the newly developed algorithm is verified using various standard multimodal, multivariable, shifted hybrid composition benchmark problems. Further, the comparative analysis of HSPSO with variants of PSO is tested to control frequency of hybrid renewable energy system which comprises solar system, wind system, diesel generator, aqua electrolyzer and ultra capacitor. A significant improvement in convergence characteristic of HSPSO algorithm over other variants of PSO is observed in solving benchmark optimization and renewable hybrid system problems.

  19. A hybrid SPH/N-body method for star cluster simulations

    CERN Document Server

    Hubber, D A; Smith, R; Goodwin, S P

    2013-01-01

    We present a new hybrid Smoothed Particle Hydrodynamics (SPH)/N-body method for modelling the collisional stellar dynamics of young clusters in a live gas background. By deriving the equations of motion from Lagrangian mechanics we obtain a formally conservative combined SPH/N-body scheme. The SPH gas particles are integrated with a 2nd order Leapfrog, and the stars with a 4th order Hermite scheme. Our new approach is intended to bridge the divide between the detailed, but expensive, full hydrodynamical simulations of star formation, and pure N-body simulations of gas-free star clusters. We have implemented this hybrid approach in the SPH code SEREN (Hubber et al. 2011) and perform a series of simple tests to demonstrate the fidelity of the algorithm and its conservation properties. We investigate and present resolution criteria to adequately resolve the density field and to prevent strong numerical scattering effects. Future developments will include a more sophisticated treatment of binaries.

  20. Towards Hybrid Overset Grid Simulations of the Launch Environment

    Science.gov (United States)

    Moini-Yekta, Shayan

    A hybrid overset grid approach has been developed for the design and analysis of launch vehicles and facilities in the launch environment. The motivation for the hybrid grid methodology is to reduce the turn-around time of computational fluid dynamic simulations and improve the ability to handle complex geometry and flow physics. The LAVA (Launch Ascent and Vehicle Aerodynamics) hybrid overset grid scheme consists of two components: an off-body immersed-boundary Cartesian solver with block-structured adaptive mesh refinement and a near-body unstructured body-fitted solver. Two-way coupling is achieved through overset connectivity between the off-body and near-body grids. This work highlights verification using code-to-code comparisons and validation using experimental data for the individual and hybrid solver. The hybrid overset grid methodology is applied to representative unsteady 2D trench and 3D generic rocket test cases.

  1. A Novel Software Simulator Model Based on Active Hybrid Architecture

    Directory of Open Access Journals (Sweden)

    Amr AbdElHamid

    2015-01-01

    Full Text Available The simulated training is an important issue for any type of missions such as aerial, ground, sea, or even space missions. In this paper, a new flexible aerial simulator based on active hybrid architecture is introduced. The simulator infrastructure is applicable to any type of training missions and research activities. This software-based simulator is tested on aerial missions to prove its applicability within time critical systems. The proposed active hybrid architecture is introduced via using the VB.NET and MATLAB in the same simulation loop. It exploits the remarkable computational power of MATLAB as a backbone aircraft model, and such mathematical model provides realistic dynamics to the trainee. Meanwhile, the Human-Machine Interface (HMI, the mission planning, the hardware interfacing, data logging, and MATLAB interfacing are developed using VB.NET. The proposed simulator is flexible enough to perform navigation and obstacle avoidance training missions. The active hybrid architecture is used during the simulated training, and also through postmission activities (like the generation of signals playback reports for evaluation purposes. The results show the ability of the proposed architecture to fulfill the aerial simulator demands and to provide a flexible infrastructure for different simulated mission requirements. Finally, a comparison with some existing simulators is introduced.

  2. A simulation approach to sizing hybrid photovoltaic and wind systems

    Science.gov (United States)

    Anderson, L. A.

    1983-12-01

    A simulation approach to sizing hybrid photovoltaic and wind systems provides a combination of components to realize zero downtime and minimum initial or life-cycle cost. Using Dayton, OH as a test site for weather data, cost advantages in the neighborhood of four are predicted for a hybrid system with battery storage when compared to a wind-energy-only system for the same electrical load.

  3. Sizing and Simulation of PV-Wind Hybrid Power System

    OpenAIRE

    Mustafa Engin

    2013-01-01

    A sizing procedure is developed for hybrid system with the aid of mathematical models for photovoltaic cell, wind turbine, and battery that are readily present in the literature. This sizing procedure can simulate the annual performance of different kinds of photovoltaic-wind hybrid power system structures for an identified set of renewable resources, which fulfills technical limitations with the lowest energy cost. The output of the program will display the performance of the system during t...

  4. Distributed Heterogeneous Simulation of a Hybrid-Electric Vehicle

    Science.gov (United States)

    2006-03-29

    operate as a generator to convert mechanical energy from the diesel t~nginc 01 from regenerative braking to electrical energy. A vehicle control module...Distributed Heterogeneous Simulation of a Hybrid- Electric Vehicle Ning Wu’, Curtis Rands t , Charles E. Lucas!, Eric A. Walters§, and Maher A...Masrurit US Army RDECOM-TARDEC, Warren, MI, 48397 Hybrid- electric military vehicles provide many advantages over conventional military vehicles powered

  5. Dynamical simulation of fluidized beds - hydrodynamically interacting granular particles

    CERN Document Server

    Ichiki, K; Ichiki, Kengo; Hayakawa, Hisao

    1995-01-01

    A numerical simulation of a gas-fluidized bed is performed without introduction of any empirical parameters. Realistic bubbles and slugs are observed in our simulation. It is found that the convective motion of particles is important for the bubbling phase and there is no convection in the slugging phase. From the simulation results, non-Gaussian distributions are found in the particle velocities and the relation between the deviation from Gaussian and the local density of particles is suggested. It is also shown that the power spectra of particle velocities obey power laws. A brief explanation on the relationship between the simulation results and the Kolmogorov scaling argument is discussed.

  6. Dynamic simulation of urban hybrid electric vehicles; Dynamische Simulation von Stadthybridfahrzeugen

    Energy Technology Data Exchange (ETDEWEB)

    Winke, Florian; Bargende, Michael [Stuttgart Univ. (Germany). Inst. fuer Verbrennungsmotoren und Kraftfahrwesen (IVK)

    2013-09-15

    As a result of the rising requirements on the development process of modern vehicles, simulation models for the prediction of fuel efficiency have become an irreplaceable tool in the automotive industry. Especially for the design of hybrid electric drivetrains, the increasingly short development cycles can only be met by the use of efficient simulation models. At the IVK of the University of Stuttgart, different approaches to simulating the longitudinal dynamics of hybrid electric vehicles were analysed and compared within the presented project. The focus of the investigations was on urban operation. The objective was to develop a hybrid vehicle concept that allows an equitable comparison with pure battery electric vehicles. (orig.)

  7. Hybrid Molecular and Spin Dynamics Simulations for Ensembles of Magnetic Nanoparticles for Magnetoresistive Systems.

    Science.gov (United States)

    Teich, Lisa; Schröder, Christian

    2015-11-13

    The development of magnetoresistive sensors based on magnetic nanoparticles which are immersed in conductive gel matrices requires detailed information about the corresponding magnetoresistive properties in order to obtain optimal sensor sensitivities. Here, crucial parameters are the particle concentration, the viscosity of the gel matrix and the particle structure. Experimentally, it is not possible to obtain detailed information about the magnetic microstructure, i.e., orientations of the magnetic moments of the particles that define the magnetoresistive properties, however, by using numerical simulations one can study the magnetic microstructure theoretically, although this requires performing classical spin dynamics and molecular dynamics simulations simultaneously. Here, we present such an approach which allows us to calculate the orientation and the trajectory of every single magnetic nanoparticle. This enables us to study not only the static magnetic microstructure, but also the dynamics of the structuring process in the gel matrix itself. With our hybrid approach, arbitrary sensor configurations can be investigated and their magnetoresistive properties can be optimized.

  8. Polystyrene-Core-Silica-Shell Hybrid Particles Containing Gold and Magnetic Nanoparticles.

    Science.gov (United States)

    Tian, Jia; Vana, Philipp

    2016-02-18

    Polystyrene-core-silica-shell hybrid particles were synthesized by combining the self-assembly of nanoparticles and the polymer with a silica coating strategy. The core-shell hybrid particles are composed of gold-nanoparticle-decorated polystyrene (PS-AuNP) colloids as the core and silica particles as the shell. PS-AuNP colloids were generated by the self-assembly of the PS-grafted AuNPs. The silica coating improved the thermal stability and dispersibility of the AuNPs. By removing the "free" PS of the core, hollow particles with a hydrophobic cage having a AuNP corona and an inert silica shell were obtained. Also, Fe3O4 nanoparticles were encapsulated in the core, which resulted in magnetic core-shell hybrid particles by the same strategy. These particles have potential applications in biomolecular separation and high-temperature catalysis and as nanoreactors.

  9. Deformation and fracture behavior of simulated particle gels

    NARCIS (Netherlands)

    Rzepiela, A.A.

    2003-01-01

    In this PhD project rheological properties of model particle gels are investigated using Brownian Dynamics (BD) simulations. Particle gels are systems of colloidal particles that form weakly bonded percolating networks interpenetrated by a suspending fluid. They are characterized as s

  10. A Parallel Genetic Simulated Annealing Hybrid Algorithm for Task Scheduling

    Institute of Scientific and Technical Information of China (English)

    SHU Wanneng; ZHENG Shijue

    2006-01-01

    In this paper combined with the advantages of genetic algorithm and simulated annealing, brings forward a parallel genetic simulated annealing hybrid algorithm (PGSAHA) and applied to solve task scheduling problem in grid computing .It first generates a new group of individuals through genetic operation such as reproduction, crossover, mutation, etc, and than simulated anneals independently all the generated individuals respectively.When the temperature in the process of cooling no longer falls, the result is the optimal solution on the whole.From the analysis and experiment result, it is concluded that this algorithm is superior to genetic algorithm and simulated annealing.

  11. Hybrid simulation theory for a classical nonlinear dynamical system

    Science.gov (United States)

    Drazin, Paul L.; Govindjee, Sanjay

    2017-03-01

    Hybrid simulation is an experimental and computational technique which allows one to study the time evolution of a system by physically testing a subset of it while the remainder is represented by a numerical model that is attached to the physical portion via sensors and actuators. The technique allows one to study large or complicated mechanical systems while only requiring a subset of the complete system to be present in the laboratory. This results in vast cost savings as well as the ability to study systems that simply can not be tested due to scale. However, the errors that arise from splitting the system in two requires careful attention, if a valid simulation is to be guaranteed. To date, efforts to understand the theoretical limitations of hybrid simulation have been restricted to linear dynamical systems. In this work we consider the behavior of hybrid simulation when applied to nonlinear dynamical systems. As a model problem, we focus on the damped, harmonically-driven nonlinear pendulum. This system offers complex nonlinear characteristics, in particular periodic and chaotic motions. We are able to show that the application of hybrid simulation to nonlinear systems requires a careful understanding of what one expects from such an experiment. In particular, when system response is chaotic we advocate the need for the use of multiple metrics to characterize the difference between two chaotic systems via Lyapunov exponents and Lyapunov dimensions, as well as correlation exponents. When system response is periodic we advocate the use of L2 norms. Further, we are able to show that hybrid simulation can falsely predict chaotic or periodic response when the true system has the opposite characteristic. In certain cases, we are able to show that control system parameters can mitigate this issue.

  12. High performance stream computing for particle beam transport simulations

    Energy Technology Data Exchange (ETDEWEB)

    Appleby, R; Bailey, D; Higham, J; Salt, M [School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester, M13 9PL (United Kingdom)], E-mail: Robert.Appleby@manchester.ac.uk, E-mail: David.Bailey-2@manchester.ac.uk

    2008-07-15

    Understanding modern particle accelerators requires simulating charged particle transport through the machine elements. These simulations can be very time consuming due to the large number of particles and the need to consider many turns of a circular machine. Stream computing offers an attractive way to dramatically improve the performance of such simulations by calculating the simultaneous transport of many particles using dedicated hardware. Modern Graphics Processing Units (GPUs) are powerful and affordable stream computing devices. The results of simulations of particle transport through the booster-to-storage-ring transfer line of the DIAMOND synchrotron light source using an NVidia GeForce 7900 GPU are compared to the standard transport code MAD. It is found that particle transport calculations are suitable for stream processing and large performance increases are possible. The accuracy and potential speed gains are compared and the prospects for future work in the area are discussed.

  13. High performance stream computing for particle beam transport simulations

    Science.gov (United States)

    Appleby, R.; Bailey, D.; Higham, J.; Salt, M.

    2008-07-01

    Understanding modern particle accelerators requires simulating charged particle transport through the machine elements. These simulations can be very time consuming due to the large number of particles and the need to consider many turns of a circular machine. Stream computing offers an attractive way to dramatically improve the performance of such simulations by calculating the simultaneous transport of many particles using dedicated hardware. Modern Graphics Processing Units (GPUs) are powerful and affordable stream computing devices. The results of simulations of particle transport through the booster-to-storage-ring transfer line of the DIAMOND synchrotron light source using an NVidia GeForce 7900 GPU are compared to the standard transport code MAD. It is found that particle transport calculations are suitable for stream processing and large performance increases are possible. The accuracy and potential speed gains are compared and the prospects for future work in the area are discussed.

  14. Enhanced Stopping of Macro-Particles in Particle-in-Cell Simulations

    CERN Document Server

    May, Josh; Mori, Warren B; Fiúza, Frederico; Fonseca, Ricardo A; Silva, Luís O; Ren, Chuang

    2014-01-01

    We derive an equation for energy transfer from relativistic charged particles to a cold background plasma appropriate for finite-size particles that are used in particle-in-cell simulation codes. Expressions for one-, two-, and three-dimensional particles are presented, with special attention given to the two-dimensional case. This energy transfer is due to the electric field of the wake set up in the background plasma by the relativistic particle. The enhanced stopping is dependent on the $q^2/m$, where $q$ is the charge and $m$ is the mass of the relativistic particle, and therefore simulation macro-particles with large charge but identical $q/m$ will stop more rapidly. The stopping power also depends on the effective particle shape of the macro-particle. These conclusions are verified in particle-in-cell simulations. We present 2D simulations of test particles, relaxation of high-energy tails, and integrated fast ignition simulations showing that the enhanced drag on macro-particles may adversely affect th...

  15. Hybrid Reynolds-Averaged/Large Eddy Simulation of a Cavity Flameholder; Assessment of Modeling Sensitivities

    Science.gov (United States)

    Baurle, R. A.

    2015-01-01

    Steady-state and scale-resolving simulations have been performed for flow in and around a model scramjet combustor flameholder. The cases simulated corresponded to those used to examine this flowfield experimentally using particle image velocimetry. A variety of turbulence models were used for the steady-state Reynolds-averaged simulations which included both linear and non-linear eddy viscosity models. The scale-resolving simulations used a hybrid Reynolds-averaged / large eddy simulation strategy that is designed to be a large eddy simulation everywhere except in the inner portion (log layer and below) of the boundary layer. Hence, this formulation can be regarded as a wall-modeled large eddy simulation. This effort was undertaken to formally assess the performance of the hybrid Reynolds-averaged / large eddy simulation modeling approach in a flowfield of interest to the scramjet research community. The numerical errors were quantified for both the steady-state and scale-resolving simulations prior to making any claims of predictive accuracy relative to the measurements. The steady-state Reynolds-averaged results showed a high degree of variability when comparing the predictions obtained from each turbulence model, with the non-linear eddy viscosity model (an explicit algebraic stress model) providing the most accurate prediction of the measured values. The hybrid Reynolds-averaged/large eddy simulation results were carefully scrutinized to ensure that even the coarsest grid had an acceptable level of resolution for large eddy simulation, and that the time-averaged statistics were acceptably accurate. The autocorrelation and its Fourier transform were the primary tools used for this assessment. The statistics extracted from the hybrid simulation strategy proved to be more accurate than the Reynolds-averaged results obtained using the linear eddy viscosity models. However, there was no predictive improvement noted over the results obtained from the explicit

  16. Global hybrid simulation of unmagnetized planets - Comparison of Venus and Mars

    Science.gov (United States)

    Brecht, Stephen H.; Ferrante, John R.

    1991-01-01

    Results from three-dimensional hybrid particle simulations of the solar wind interaction with the planets Mars and Venus are presented. The simulations produce shocks and magnetic barriers which are asymmetric. These results are qualitatively in agreement with data. In the absence of an ionosphere the subsolar shock standoff distance was found to agree with the observations if the Hall current is limited. It was also found that the solar wind interaction with Mars and Venus was substantially different. The interaction with Venus can be generally viewed as a magnetized interaction. The Mars interaction is very kinetic in nature and appears not to have a shock in the classic sense.

  17. Simulating Strongly Correlated Electron Systems with Hybrid Monte Carlo

    Institute of Scientific and Technical Information of China (English)

    LIU Chuan

    2000-01-01

    Using the path integral representation, the Hubbard and the periodic Anderson model on D-dimensional cubic lattice are transformed into field theories of fermions in D + 1 dimensions. These theories at half-filling possess a positive definite real symmetry fermion matrix and can be simulated using the hybrid Monte Carlo method.

  18. A hybrid parallel framework for the cellular Potts model simulations

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Yi [Los Alamos National Laboratory; He, Kejing [SOUTH CHINA UNIV; Dong, Shoubin [SOUTH CHINA UNIV

    2009-01-01

    The Cellular Potts Model (CPM) has been widely used for biological simulations. However, most current implementations are either sequential or approximated, which can't be used for large scale complex 3D simulation. In this paper we present a hybrid parallel framework for CPM simulations. The time-consuming POE solving, cell division, and cell reaction operation are distributed to clusters using the Message Passing Interface (MPI). The Monte Carlo lattice update is parallelized on shared-memory SMP system using OpenMP. Because the Monte Carlo lattice update is much faster than the POE solving and SMP systems are more and more common, this hybrid approach achieves good performance and high accuracy at the same time. Based on the parallel Cellular Potts Model, we studied the avascular tumor growth using a multiscale model. The application and performance analysis show that the hybrid parallel framework is quite efficient. The hybrid parallel CPM can be used for the large scale simulation ({approx}10{sup 8} sites) of complex collective behavior of numerous cells ({approx}10{sup 6}).

  19. Octree particle management for DSMC and PIC simulations

    Science.gov (United States)

    Martin, Robert Scott; Cambier, Jean-Luc

    2016-12-01

    The ratio of physical to computationally modeled particles is of critical importance to the fidelity of particle-based simulation methods such as Direct Simulation Monte Carlo (DSMC) and Particle-in-Cell (PIC). Like adaptive mesh refinement for continuum/grid-based simulations, particle remapping enables dynamic control of simulation fidelity in regions of interest so that computational resources can be efficiently distributed within the problem. This is particularly important for simulations involving high dynamic range in the density for one or more species such as problems involving chain-branching reactions like combustion and ionizing breakdown. In this work, a new method of particle remapping is presented which strictly conserves mass, momentum, and energy while simultaneously remaining faithful to the original velocity distribution function through the use of octree binning in velocity space.

  20. Numerical Simulation of Particle Deposition in the Human Lungs

    OpenAIRE

    Gengenbach, Thomas

    2012-01-01

    We model, simulate and calculate breathing and particle depositions in the human lungs. We review the theory and discretization of fluid mechanics, the anatomy, physiology and measuring methods of lungs. A new model is introduced and investigated with a sensitivity analysis using the singular value decomposition. Particle depositions are simulated in patient-specific and schematized human lungs and compared to the particle deposition in a multiplicative model of subsequent bifurcations.

  1. Investigations of the response of hybrid particle detectors for the Space Environmental Viewing and Analysis Network (SEVAN

    Directory of Open Access Journals (Sweden)

    A. Chilingarian

    2008-02-01

    Full Text Available A network of particle detectors located at middle to low latitudes known as SEVAN (Space Environmental Viewing and Analysis Network is being created in the framework of the International Heliophysical Year (IHY-2007. It aims to improve the fundamental research of the particle acceleration in the vicinity of the Sun and space environment conditions. The new type of particle detectors will simultaneously measure the changing fluxes of most species of secondary cosmic rays, thus turning into a powerful integrated device used for exploration of solar modulation effects. Ground-based detectors measure time series of secondary particles born in cascades originating in the atmosphere by nuclear interactions of protons and nuclei accelerated in the galaxy. During violent solar explosions, sometimes additional secondary particles are added to this "background" flux. The studies of the changing time series of secondary particles shed light on the high-energy particle acceleration mechanisms. The time series of intensities of high energy particles can also provide highly cost-effective information on the key characteristics of interplanetary disturbances. The recent results of the detection of the solar extreme events (2003–2005 by the monitors of the Aragats Space-Environmental Center (ASEC illustrate the wide possibilities provided by new particle detectors measuring neutron, electron and muon fluxes with inherent correlations. We present the results of the simulation studies revealing the characteristics of the SEVAN networks' basic measuring module. We illustrate the possibilities of the hybrid particle detector to measure neutral and charged fluxes of secondary CR, to estimate the efficiency and purity of detection; corresponding median energies of the primary proton flux, the ability to distinguish between neutron and proton initiated GLEs and some other important properties of hybrid particle detectors.

  2. On the use of reverse Brownian motion to accelerate hybrid simulations

    Science.gov (United States)

    Bakarji, Joseph; Tartakovsky, Daniel M.

    2017-04-01

    Multiscale and multiphysics simulations are two rapidly developing fields of scientific computing. Efficient coupling of continuum (deterministic or stochastic) constitutive solvers with their discrete (stochastic, particle-based) counterparts is a common challenge in both kinds of simulations. We focus on interfacial, tightly coupled simulations of diffusion that combine continuum and particle-based solvers. The latter employs the reverse Brownian motion (rBm), a Monte Carlo approach that allows one to enforce inhomogeneous Dirichlet, Neumann, or Robin boundary conditions and is trivially parallelizable. We discuss numerical approaches for improving the accuracy of rBm in the presence of inhomogeneous Neumann boundary conditions and alternative strategies for coupling the rBm solver with its continuum counterpart. Numerical experiments are used to investigate the convergence, stability, and computational efficiency of the proposed hybrid algorithm.

  3. Hybrid Techniques for Quantum Circuit Simulation

    Science.gov (United States)

    2014-02-01

    15 Figure 10. (a) Ripple-carry (Cuccaro) adder for 3...bit numbers [17]. (b) Average runtime and memory needed by Quipu and QuIDDPro (QPLite) to simulate -bit Cuccaro adders ...b) scaled adder , (c) binary-to- stochastic converter, and (d) stochastic-to-binary converter

  4. Particle simulation of neoclassical transport in the plasma Edge

    Energy Technology Data Exchange (ETDEWEB)

    Chang, C.S. [Department of Physics, Korea Advanced Institute of Science and Technology (Korea); Ku, S. [Courant Institute of Mathematical Sciences, New York University, 251 Mercer Street, New York, NY (United States); Department of Physics, Korea Advanced Institute of Science and Technology (Korea)

    2006-09-15

    Particle-in-cell is a popular technique for a global five dimensional numerical simulation of the neoclassical plasma phenomena in a toroidal plasma. In this paper, we briefly review the physical and mathematical aspects of the modern neoclassical particle simulation methodology for a plasma edge simulation and present representative results recently obtained from XGC (X-point included Guiding Center) code. The strength and weakness in the modern neoclassical particle simulation techniques will also be discussed. (copyright 2006 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  5. Numerical simulation of particulate flows using a hybrid of finite difference and boundary integral methods.

    Science.gov (United States)

    Bhattacharya, Amitabh; Kesarkar, Tejas

    2016-10-01

    A combination of finite difference (FD) and boundary integral (BI) methods is used to formulate an efficient solver for simulating unsteady Stokes flow around particles. The two-dimensional (2D) unsteady Stokes equation is being solved on a Cartesian grid using a second order FD method, while the 2D steady Stokes equation is being solved near the particle using BI method. The two methods are coupled within the viscous boundary layer, a few FD grid cells away from the particle, where solutions from both FD and BI methods are valid. We demonstrate that this hybrid method can be used to accurately solve for the flow around particles with irregular shapes, even though radius of curvature of the particle surface is not resolved by the FD grid. For dilute particle concentrations, we construct a virtual envelope around each particle and solve the BI problem for the flow field located between the envelope and the particle. The BI solver provides velocity boundary condition to the FD solver at "boundary" nodes located on the FD grid, adjacent to the particles, while the FD solver provides the velocity boundary condition to the BI solver at points located on the envelope. The coupling between FD method and BI method is implicit at every time step. This method allows us to formulate an O(N) scheme for dilute suspensions, where N is the number of particles. For semidilute suspensions, where particles may cluster, an envelope formation method has been formulated and implemented, which enables solving the BI problem for each individual particle cluster, allowing efficient simulation of hydrodynamic interaction between particles even when they are in close proximity. The method has been validated against analytical results for flow around a periodic array of cylinders and for Jeffrey orbit of a moving ellipse in shear flow. Simulation of multiple force-free irregular shaped particles in the presence of shear in a 2D slit flow has been conducted to demonstrate the robustness of

  6. Particle acceleration in tangential discontinuities by lower hybrid waves

    Directory of Open Access Journals (Sweden)

    D. Spicer

    2002-01-01

    Full Text Available We consider the role that the lower-hybrid wave turbulence plays in providing the necessary resistivity at collisionless reconnection sights. The mechanism for generating the waves is considered to be the lower-hybrid drift instability. We find that the level of the wave amplitude is sufficient enough to heat and accelerate both electrons and ions.

  7. An electrostatic particle-in-cell model for a lower hybrid grill

    Energy Technology Data Exchange (ETDEWEB)

    Rantamaeki, K

    1998-07-01

    In recent lower hybrid (LH) current drive experiments, generation of hot spots and impurities in the grill region have been observed on Tore Supra and Tokamak de Varennes (TdeV). A possible explanation is the parasitic absorption of the LH power in front of the grill. In parasitic absorption, the short-wavelength part of the lower hybrid spectrum can resonantly interact with the cold edge electrons. In this work, the absorption of the LH waves and the generation of fast electrons near the waveguide mouth is investigated with a new tool in this context: particle-in-cell (PIC) simulations. The advantage of this new method is that the electric field is calculated self-consistently. The PIC simulations also provide the key parameters for the hot spot problem: the absorbed power, the radial deposition profiles and the absorption length. A grill model has been added to the 2d3v PIC code XPDP2. Two sets of simulations were made. The first simulations used a phenomenological grill model. Strong absorption in the edge plasma was obtained. About 5% of the coupled power was absorbed within 1.7 mm in the case with fairly large amount of power in the modes with large parallel refractive index. Consequently, a rapid generation of fast electrons took place in the same region. In order to model experiments with realistic wave spectra, the PIC code was coupled to the slow wave antenna coupling code SWAN. The absorption within 1.7 mm in front of the grill was found to be between 2 and 5%. In the short time of a few wave periods, part of the initially thermal electrons (T{sub e} = 100 eV) were accelerated to velocities corresponding to a few keV. (orig.)

  8. Wind Solar Hybrid System Rectifier Stage Topology Simulation

    Directory of Open Access Journals (Sweden)

    Anup M. Gakare

    2014-06-01

    Full Text Available This paper presents power-control strategies of a grid-connected hybrid generation system with versatile power transfer. The hybrid system allows maximum utilization of freely available renewable sources like wind and photovoltaic energies. This paper presents a new system configuration of the multi input rectifier stage for a hybrid wind and photovoltaic energy system. This configuration allows the two sources to supply the load simultaneously depending on the availability of the energy sources maximum power from the sun when it is available. An adaptive MPPT algorithm with a standard perturbs and observed method will be used for the Photo Voltaic system. The main advantage of the hybrid system is to give continuous power supply to the load. The gating pulses to the inverter switches are implemented with conventional and fuzzy controller. This hybrid wind-photo voltaic system is modeled in MATLAB/ SIMULINK environment. Simulation circuit is analyzed and results are presented for this hybrid wind and solar energy system.

  9. Understanding bulk behavior of particulate materials from particle scale simulations

    Science.gov (United States)

    Deng, Xiaoliang

    Particulate materials play an increasingly significant role in various industries, such as pharmaceutical manufacturing, food, mining, and civil engineering. The objective of this research is to better understand bulk behaviors of particulate materials from particle scale simulations. Packing properties of assembly of particles are investigated first, focusing on the effects of particle size, surface energy, and aspect ratio on the coordination number, porosity, and packing structures. The simulation results show that particle sizes, surface energy, and aspect ratio all influence the porosity of packing to various degrees. The heterogeneous force networks within particle assembly under external compressive loading are investigated as well. The results show that coarse-coarse contacts dominate the strong network and coarse-fine contacts dominate the total network. Next, DEM models are developed to simulate the particle dynamics inside a conical screen mill (comil) and magnetically assisted impaction mixer (MAIM), both are important particle processing devices. For comil, the mean residence time (MRT), spatial distribution of particles, along with the collision dynamics between particles as well as particle and vessel geometries are examined as a function of the various operating parameters such as impeller speed, screen hole size, open area, and feed rate. The simulation results can help better understand dry coating experimental results using comil. For MAIM system, the magnetic force is incorporated into the contact model, allowing to describe the interactions between magnets. The simulation results reveal the connections between homogeneity of mixture and particle scale variables such as size of magnets and surface energy of non-magnets. In particular, at the fixed mass ratio of magnets to non-magnets and surface energy the smaller magnets lead to better homogeneity of mixing, which is in good agreement with previously published experimental results. Last but not

  10. A hybrid multi-swarm particle swarm optimization to solve constrained optimization problems

    Institute of Scientific and Technical Information of China (English)

    Yong WANG; Zixing CAI

    2009-01-01

    In the real-world applications, most optimization problems are subject to different types of constraints. These problems are known as constrained optimization problems (COPs). Solving COPs is a very important area in the optimization field. In this paper, a hybrid multi-swarm particle swarm optimization (HMPSO) is proposed to deal with COPs. This method adopts a parallel search operator in which the current swarm is partitioned into several subswarms and particle swarm optimization (PSO) is severed as the search engine for each sub-swarm. Moreover, in order to explore more promising regions of the search space, differential evolution (DE) is incorporated to improve the personal best of each particle. First, the method is tested on 13 benchmark test functions and compared with three stateof-the-art approaches. The simulation results indicate that the proposed HMPSO is highly competitive in solving the 13 benchmark test functions. Afterward, the effectiveness of some mechanisms proposed in this paper and the effect of the parameter setting were validated by various experiments. Finally, HMPSO is further applied to solve 24 benchmark test functions collected in the 2006 IEEE Congress on Evolutionary Computation (CEC2006) and the experimental results indicate that HMPSO is able to deal with 22 test functions.

  11. Accelerated simulation of stochastic particle removal processes in particle-resolved aerosol models

    Science.gov (United States)

    Curtis, J. H.; Michelotti, M. D.; Riemer, N.; Heath, M. T.; West, M.

    2016-10-01

    Stochastic particle-resolved methods have proven useful for simulating multi-dimensional systems such as composition-resolved aerosol size distributions. While particle-resolved methods have substantial benefits for highly detailed simulations, these techniques suffer from high computational cost, motivating efforts to improve their algorithmic efficiency. Here we formulate an algorithm for accelerating particle removal processes by aggregating particles of similar size into bins. We present the Binned Algorithm for particle removal processes and analyze its performance with application to the atmospherically relevant process of aerosol dry deposition. We show that the Binned Algorithm can dramatically improve the efficiency of particle removals, particularly for low removal rates, and that computational cost is reduced without introducing additional error. In simulations of aerosol particle removal by dry deposition in atmospherically relevant conditions, we demonstrate about 50-times increase in algorithm efficiency.

  12. Accelerated simulation of stochastic particle removal processes in particle-resolved aerosol models

    Energy Technology Data Exchange (ETDEWEB)

    Curtis, J.H. [Department of Atmospheric Sciences, University of Illinois at Urbana–Champaign, 105 S. Gregory St., Urbana, IL 61801 (United States); Michelotti, M.D. [Department of Computer Science, University of Illinois at Urbana–Champaign, 201 North Goodwin Avenue, Urbana, IL 61801 (United States); Riemer, N. [Department of Atmospheric Sciences, University of Illinois at Urbana–Champaign, 105 S. Gregory St., Urbana, IL 61801 (United States); Heath, M.T. [Department of Computer Science, University of Illinois at Urbana–Champaign, 201 North Goodwin Avenue, Urbana, IL 61801 (United States); West, M., E-mail: mwest@illinois.edu [Department of Mechanical Science and Engineering, University of Illinois at Urbana–Champaign, 1206 W. Green St., Urbana, IL 61801 (United States)

    2016-10-01

    Stochastic particle-resolved methods have proven useful for simulating multi-dimensional systems such as composition-resolved aerosol size distributions. While particle-resolved methods have substantial benefits for highly detailed simulations, these techniques suffer from high computational cost, motivating efforts to improve their algorithmic efficiency. Here we formulate an algorithm for accelerating particle removal processes by aggregating particles of similar size into bins. We present the Binned Algorithm for particle removal processes and analyze its performance with application to the atmospherically relevant process of aerosol dry deposition. We show that the Binned Algorithm can dramatically improve the efficiency of particle removals, particularly for low removal rates, and that computational cost is reduced without introducing additional error. In simulations of aerosol particle removal by dry deposition in atmospherically relevant conditions, we demonstrate about 50-times increase in algorithm efficiency.

  13. CFD simulation of particle suspension in a stirred tank

    Institute of Scientific and Technical Information of China (English)

    Nana Qi; Hu Zhang; Kai Zhang; Gang Xu; Yongping Yang

    2013-01-01

    Particle suspension characteristics are predicted computationally in a stirred tank driven by a Smith turbine.In order to verify the hydrodynamic model and numerical method,the predicted power number and flow pattern are compared with designed values and simulated results from the literature,respectively.The effects of particle density,particle diameter,liquid viscosity and initial solid loading on particle suspension behavior are investigated by using the Eulerian-Eulerian two-fluid model and the standard k-ε turbulence model.The results indicate that solid concentration distribution depends on the flow field in the stirred tank.Higher particle density or larger particle size results in less homogenous distribution of solid particles in the tank.Increasing initial solid loading has an adverse impact on the homogeneous suspension of solid particles in a low-viscosity liquid,whilst more uniform particle distribution is found in a high-viscositv liauid.

  14. Noiseless Vlasov-Poisson simulations with linearly transformed particles

    CERN Document Server

    Pinto, M Campos; Friedman, A; Grote, D; Lund, S

    2012-01-01

    We introduce a deterministic discrete-particle simulation approach, the Linearly-Transformed Particle-In-Cell (LTPIC) method, that employs linear deformations of the particles to reduce the noise traditionally associated with particle schemes. Formally, transforming the particles is justified by local first order expansions of the characteristic flow in phase space. In practice the method amounts to using deformation matrices within the particle shape functions; these matrices are updated via local evaluations of the forward numerical flow. Because it is necessary to periodically remap the particles on a regular grid to avoid excessively deforming their shapes, the method can be seen as a development of Denavit's Forward Semi-Lagrangian (FSL) scheme [J. Denavit, J. Comp. Physics 9, 75 (1972)]. However, it has recently been established [M. Campos Pinto, "Smooth particle methods without smoothing", arXiv:1112.1859 (2012)] that the underlying Linearly-Transformed Particle scheme converges for abstract transport ...

  15. Simulating Deposition of Aerosol Particles on Single Fiber Surface

    Institute of Scientific and Technical Information of China (English)

    FU Hai-ming; ZHU Hui

    2009-01-01

    The stochastic simulation method, based on the concept of control window and the numerical solution of the Langevin equation, is applied to solve the deposition problem of particles from the flowing suspensions onto a fiber collector. Using the Kuwabara model to characterize the flow field, the effects of Stokes number, interception parameter, packing density, particle size distribution on the collection efficiency, and the deposition morphology of particles onto a collector areexamined. The morphology of deposit obtained in the simulated results agrees well with experimental observations. The estimation of the initial collection efficiency through the simulations considers that the deposited particles are in good agreement with published experimental data. In addition, the collection efficiency of particles increases in a wider particle size distribution region.

  16. Particle-based simulations of self-motile suspensions

    CERN Document Server

    Hinz, Denis F; Kim, Tae-Yeon; Fried, Eliot

    2013-01-01

    A simple model for simulating flows of active suspensions is investigated. The approach is based on dissipative particle dynamics. While the model is potentially applicable to a wide range of self-propelled particle systems, the specific class of self-motile bacterial suspensions is considered as a modeling scenario. To mimic the rod-like geometry of a bacterium, two dissipative particle dynamics particles are connected by a stiff harmonic spring to form an aggregate dissipative particle dynamics molecule. Bacterial motility is modeled through a constant self-propulsion force applied along the axis of each such aggregate molecule. The model accounts for hydrodynamic interactions between self-propelled agents through the pairwise dissipative interactions conventional to dissipative particle dynamics. Numerical simulations are performed using a customized version of the open-source LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) software package. Detailed studies of the influence of agent con...

  17. Simulation and Test of a Fuel Cell Hybrid Golf Cart

    Directory of Open Access Journals (Sweden)

    Jingming Liang

    2014-01-01

    Full Text Available This paper establishes the simulation model of fuel cell hybrid golf cart (FCHGC, which applies the non-GUI mode of the Advanced Vehicle Simulator (ADVISOR and the genetic algorithm (GA to optimize it. Simulation of the objective function is composed of fuel consumption and vehicle dynamic performance; the variables are the fuel cell stack power sizes and the battery numbers. By means of simulation, the optimal parameters of vehicle power unit, fuel cell stack, and battery pack are worked out. On this basis, GUI mode of ADVISOR is used to select the rated power of vehicle motor. In line with simulation parameters, an electrical golf cart is refitted by adding a 2 kW hydrogen air proton exchange membrane fuel cell (PEMFC stack system and test the FCHGC. The result shows that the simulation data is effective but it needs improving compared with that of the real cart test.

  18. A Matlab—Based Simulation for Hybrid Electric Motorcycle

    Institute of Scientific and Technical Information of China (English)

    邵定国; 李永斌; 汪信尧; 江建中

    2003-01-01

    This paper presents a simulation and modeling package based on Matlab for a parallel hybrid electric motorcycle (HEM).The package consists of several main detailed models: internal combustion engine (ICE), motor, continuously variable transmission(CVT), battery, energy management system (EMS) etc. Each component is built as a library, and can be connected together accord-ing to the parallel HEM's topology. Simulation results, such as ICE power demand, motor power demand, battery instantaneous state-of-charge (SOC), pollution emissions etc. Are given and discussed. Lastly experimental data verify our simulation results.

  19. Simulation of suspension flow of finite-size spherical particles in a 3D square channel

    Science.gov (United States)

    Gao, Hui; Wang, Lian-Ping

    2008-11-01

    Suspension flow of finite-size particles in a turbulent gas is of importance to many engineering applications and natural phenomena. As a first step, the present work focuses on the motion and hydrodynamic interaction of finite-size particles in the absence of background carrier-fluid turbulence. The major challenge for an accurate simulation is twofold: an efficient implementation of no-slip boundary conditions on the moving particle surface and an accurate representation of short-range lubrication effects that typically are not resolved numerically. A Navier-Stokes based hybrid approach (i.e., Physalis) developed by Prosperetti and co-workers is employed to solve the suspension flows of a pair of finite-size, freely-moving particles at finite particle Reynolds numbers. A lubrication force representation, designed by Ladd, involving particle relative location and velocity, is incorporated to capture the short-range interactions between particles. The accuracy of the representation and its compatibility with the flow simulation will be examined. A mesoscopic lattice Boltzmann equation (LBE) approach is also used to simulate the same problem for cross validation. Specific implementation issues will be addressed. Comparison with available numerical data will also be discussed.

  20. Characterizations of Polystyrene-Based Hybrid Particles Containing Hydrophobic Mg(OH2 Powder and Composites Fabricated by Employing Resultant Hybrid Particles

    Directory of Open Access Journals (Sweden)

    Shuichi Kimura

    2007-01-01

    unchanged, even when the ST-1 powder content increased from 10 to 50 phr. Furthermore, a composite fabricated by employing the hybrid particles achieved homogenous distribution of ST-1 powder and showed a higher oxygen index than that of a composite fabricated by directly mixing of PS pellets and ST-1 powder.

  1. Enhanced stopping of macro-particles in particle-in-cell simulations

    OpenAIRE

    May, J; Tonge, J; Ellis, I; Mori, W. B.; Fiuza, F.; Fonseca, R. A.; Silva,L. O.; Ren, C.

    2014-01-01

    WOS:000337107200042 (Nº de Acesso Web of Science) We derive an equation for energy transfer from relativistic charged particles to a cold background plasma appropriate for finite-size particles that are used in particle-in-cell simulation codes. Expressions for one-, two-, and three-dimensional particles are presented, with special attention given to the two-dimensional case. This energy transfer is due to the electric field of the wake set up in the background plasma by the relativistic p...

  2. Fully resolved simulations of 2,000 fluidized particles

    Science.gov (United States)

    Willen, Daniel; Sierakowski, Adam; Prosperetti, Andrea

    2015-11-01

    Computational capabilities have matured sufficiently to render possible the dynamic simulation of thousands of resolved particles in fluid flows, generating an unprecendented amount of data. In this work we present a simulation of 2,000 fluidized particles generated with the Physalis method, and focus on probing the data with tools from statistical physics. In particular, the study of particle triads and tetrads has been used to study the dispersion of passive scalars in turbulence. Knowledge of the average shape and size of these structures over time provides insight into particle diffusion and the persistence of clusters. Supported by NSF award No CBET 1335965.

  3. Particle physics: Quantum simulation of fundamental physics

    Science.gov (United States)

    Zohar, Erez

    2016-06-01

    Gauge theories underpin the standard model of particle physics, but are difficult to study using conventional computational methods. An experimental quantum system opens up fresh avenues of investigation. See Letter p.516

  4. Hybrid simulation of electron cyclotron resonance heating

    CERN Document Server

    Ropponen, T; Suominen, P; Koponen, T K; Kalvas, T; Koivisto, H

    2008-01-01

    Electron Cyclotron Resonance (ECR) heating is a fundamentally important aspect in understanding the physics of Electron Cyclotron Resonance Ion Sources (ECRIS). Absorption of the radio frequency (RF) microwave power by electron heating in the resonance zone depends on many parameters including frequency and electric field strength of the microwave, magnetic field structure and electron and ion density profiles. ECR absorption has been studied in the past by e.g. modelling electric field behaviour in the resonance zone and its near proximity. This paper introduces a new ECR heating code that implements damping of the microwave power in the vicinity of the resonance zone, utilizes electron density profiles and uses right hand circularly polarized (RHCP) electromagnetic waves to simulate electron heating in ECRIS plasma.

  5. Battery thermal models for hybrid vehicle simulations

    Science.gov (United States)

    Pesaran, Ahmad A.

    This paper summarizes battery thermal modeling capabilities for: (1) an advanced vehicle simulator (ADVISOR); and (2) battery module and pack thermal design. The National Renewable Energy Laboratory's (NREL's) ADVISOR is developed in the Matlab/Simulink environment. There are several battery models in ADVISOR for various chemistry types. Each one of these models requires a thermal model to predict the temperature change that could affect battery performance parameters, such as resistance, capacity and state of charges. A lumped capacitance battery thermal model in the Matlab/Simulink environment was developed that included the ADVISOR battery performance models. For thermal evaluation and design of battery modules and packs, NREL has been using various computer aided engineering tools including commercial finite element analysis software. This paper will discuss the thermal ADVISOR battery model and its results, along with the results of finite element modeling that were presented at the workshop on "Development of Advanced Battery Engineering Models" in August 2001.

  6. Managing resource capacity using hybrid simulation

    Science.gov (United States)

    Ahmad, Norazura; Ghani, Noraida Abdul; Kamil, Anton Abdulbasah; Tahar, Razman Mat

    2014-12-01

    Due to the diversity of patient flows and interdependency of the emergency department (ED) with other units in hospital, the use of analytical models seems not practical for ED modeling. One effective approach to study the dynamic complexity of ED problems is by developing a computer simulation model that could be used to understand the structure and behavior of the system. Attempts to build a holistic model using DES only will be too complex while if only using SD will lack the detailed characteristics of the system. This paper discusses the combination of DES and SD in order to get a better representation of the actual system than using either modeling paradigm solely. The model is developed using AnyLogic software that will enable us to study patient flows and the complex interactions among hospital resources for ED operations. Results from the model show that patients' length of stay is influenced by laboratories turnaround time, bed occupancy rate and ward admission rate.

  7. Hybrid simulation of electron cyclotron resonance heating

    Energy Technology Data Exchange (ETDEWEB)

    Ropponen, T. [Department of Physics, University of Jyvaeskylae, P.O. Box 35, FI-40014 (Finland)], E-mail: tommi.ropponen@phys.jyu.fi; Tarvainen, O. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Suominen, P. [CERN Geneve 23, CH-1211 (Switzerland); Koponen, T.K. [Department of Physics, University of Jyvaeskylae, Nanoscience Center, P.O. Box 35, FI-40014 (Finland); Kalvas, T.; Koivisto, H. [Department of Physics, University of Jyvaeskylae, P.O. Box 35, FI-40014 (Finland)

    2008-03-11

    Electron Cyclotron Resonance (ECR) heating is a fundamentally important aspect in understanding the physics of Electron Cyclotron Resonance Ion Sources (ECRIS). Absorption of the radio frequency (RF) microwave power by electron heating in the resonance zone depends on many parameters including frequency and electric field strength of the microwave, magnetic field structure and electron and ion density profiles. ECR absorption has been studied in the past by e.g. modelling electric field behaviour in the resonance zone and its near proximity. This paper introduces a new ECR heating code that implements damping of the microwave power in the vicinity of the resonance zone, utilizes electron density profiles and uses right hand circularly polarized (RHCP) electromagnetic waves to simulate electron heating in ECRIS plasma.

  8. Mechanical and tribological studies on nano particles reinforced hybrid aluminum based composite

    Directory of Open Access Journals (Sweden)

    Muley Aniruddha V.

    2015-01-01

    Full Text Available Hybrid metal matrix composites are new class of materials due to their better mechanical properties which can be achieved through proper selection and combination of materials. The work reported in this paper is based on fabrication of hybrid composites by using nano particles as reinforcements. The hybrid composites were fabricated by reinforcing them with nano sized SiC and Al2O3 particles in order to study mechanical and tribological properties of these enhanced materials. A stir casting method was used to obtain hybrid composites. LM 6 aluminum alloy was used as a matrix material. The results shown increase in hardness as well as in ultimate tensile strength of the composites with small wt.% of nano-sized hybrid reinforcements. The composites produced also exhibit better tribological properties.

  9. Controlled isotropic or anisotropic nanoscale growth of coordination polymers: formation of hybrid coordination polymer particles.

    Science.gov (United States)

    Lee, Hee Jung; Cho, Yea Jin; Cho, Won; Oh, Moonhyun

    2013-01-22

    The ability to fabricate multicompositional hybrid materials in a precise and controlled manner is one of the primary goals of modern materials science research. In addition, an understanding of the phenomena associated with the systematic growth of one material on another can facilitate the evolution of multifunctional hybrid materials. Here, we demonstrate precise manipulation of the isotropic and/or anisotropic nanoscale growth of various coordination polymers (CPs) to obtain heterocompositional hybrid coordination polymer particles. Chemical composition analyses conducted at every growth step reveal the formation of accurately assembled hybrid nanoscale CPs, and microscopy images are used to examine the morphology of the particles and visualize the hybrid structures. The dissimilar growth behavior, that is, growth in an isotropic or anisotropic fashion, is found to be dependent on the size of the metal ions involved within the CPs.

  10. Eulerian-Lagrangian Simulation of an Explosive Dispersal of Particles

    Science.gov (United States)

    Rollin, Bertrand; Ouellet, Frederick; Koneru, Rahul; Annamalai, Subramanian

    2016-11-01

    Explosive dispersal of solid particles can be observed in a wide variety of contexts, notably in natural phenomenon such as volcanic eruptions or in engineering applications such as detonation of multiphase explosives. As the initial blast wave crosses the surrounding layer of particles, compaction occurs shortly before particles disperse radially outward at high speed. During the dispersion phase, complex multiphase interactions occurs between particles and detonation products of the explosive. Using a Eulerian-Lagrangian approach, namely point particle simulations, we study the case of a bed of particles of cylindrical shape surrounding an explosive chord. Our interest lies in predicting the behavior of particles after detonation. In particular, capturing and describing the mechanisms responsible for late-time formation of stable particle jets is sought. Therefore, detonation of the explosive material is not simulated. Instead an equivalent energy source is used to initiate the simulation. We present a detailed description of our approach to solving this problem, and our most recent progress in the analysis of particles explosive dispersal. This work was supported by the U.S. DoE, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, under Contract No. DE-NA0002378.

  11. Stochastic Simulation of Lagrangian Particle Transport in Turbulent Flows

    Science.gov (United States)

    Sun, Guangyuan

    This dissertation presents the development and validation of the One Dimensional Turbulence (ODT) multiphase model in the Lagrangian reference frame. ODT is a stochastic model that captures the full range of length and time scales and provides statistical information on fine-scale turbulent-particle mixing and transport at low computational cost. The flow evolution is governed by a deterministic solution of the viscous processes and a stochastic representation of advection through stochastic domain mapping processes. The three algorithms for Lagrangian particle transport are presented within the context of the ODT approach. The Type-I and -C models consider the particle-eddy interaction as instantaneous and continuous change of the particle position and velocity, respectively. The Type-IC model combines the features of the Type-I and -C models. The models are applied to the multi-phase flows in the homogeneous decaying turbulence and turbulent round jet. Particle dispersion, dispersion coefficients, and velocity statistics are predicted and compared with experimental data. The models accurately reproduces the experimental data sets and capture particle inertial effects and trajectory crossing effect. A new adjustable particle parameter is introduced into the ODT model, and sensitivity analysis is performed to facilitate parameter estimation and selection. A novel algorithm of the two-way momentum coupling between the particle and carrier phases is developed in the ODT multiphase model. Momentum exchange between the phases is accounted for through particle source terms in the viscous diffusion. The source term is implemented in eddy events through a new kernel transformation and an iterative procedure is required for eddy selection. This model is applied to a particle-laden turbulent jet flow, and simulation results are compared with experimental measurements. The effect of particle addition on the velocities of the gas phase is investigated. The development of

  12. Particle impact tests. [simulation of micrometeoroid damage to orbiter surface

    Science.gov (United States)

    Komatsu, G. K.

    1978-01-01

    Particle impact tests were performed on three types of orbiter surface with a micrometeoroid facility. The test equipment electrostatically accelerated micron sized particles to high velocities simulating micrometeoroid impacts. Test particles were titanium diboride with typical velocities in the range 1 to 2.3 km x sec/1 and equivalent particle diameters in the range 4 to 16 microns. Impact angles to the material surface were 90, 60 and 30 degrees. The particle impact sites were located on the sample surfaces and craters were photographed with a magnification of 400X.

  13. Comparison of plasma data from ASPERA-3/Mars-Express with a 3-D hybrid simulation

    Directory of Open Access Journals (Sweden)

    A. Bößwetter

    2007-08-01

    Full Text Available The ELS and IMA sensors of the ASPERA-3 experiment onboard of Mars-Express (MEX can measure electron as well as ion moments. We compare these measurements for a specific orbit with the simulation results from a 3-D hybrid model. In the hybrid approximation the electrons are modeled as a massless charge-neutralizing fluid, whereas the ions are treated as individual particles. This approach allows gyroradius effects to be included in our model calculations of the Martian plasma environment because the gyroradii of the solar wind protons are in the range of several hundred kilometers and therefore comparable with the characteristic scales of the subsolar ionospheric interaction region. The position of both the bow shock and the Ion Composition Boundary (ICB manifest in the MEX data as well as in the results from the hybrid simulation nearly at the same location. The characteristic features of these boundaries, i.e. an increase of proton density and temperature at the Bow Shock and a transition from solar wind to ionospheric particles at the ICB, are clearly identifiable in the data.

  14. Microstructure in two- and three-dimensional hybrid simulations of perpendicular collisionless shocks

    CERN Document Server

    Burgess, David; Gingell, Peter W; Trávníček, Pavel M

    2016-01-01

    Supercritical collisionless perpendicular shocks have an average macrostructure determined primarily by the dynamics of ions specularly reflected at the magnetic ramp. Within the overall macrostructure, instabilities, both linear and nonlinear, generate fluctuations and microstructure. To identify the sources of such microstructure, high-resolution two- and three-dimensional simulations have been carried out using the hybrid method, wherein the ions are treated as particles and the electron response is modelled as a massless fluid. We confirm the results of earlier 2-D simulations showing both field-parallel aligned propagating fluctuations and fluctuations carried by the reflected-gyrating ions. In addition, it is shown that, for 2-D simulations of the shock coplanarity plane, the presence of short-wavelength fluctuations in all magnetic components is associated with the ion Weibel instability driven at the upstream edge of the foot by the reflected-gyrating ions. In 3-D simulations we show for the first tim...

  15. Performance Evaluation of OLSR Using Swarm Intelligence and Hybrid Particle Swarm Optimization Using Gravitational Search Algorithm

    Directory of Open Access Journals (Sweden)

    S. Meenakshi Sundaram

    2014-04-01

    Full Text Available The aim of this research is to evaluate the performance of OLSR using swarm intelligence and HPSO with Gravitational search algorithm to lower the jitter time, data drop and end to end delay and improve the network throughput. Simulation was carried out for multimedia traffic and video streamed network traffic using OPNET Simulator. Routing is exchanging of information from one host to another in a network. Routing forwards packets to destination using an efficient path. Path efficiency is measured through metrics like hop number, traffic and security. Each host node acts as a specialized router in Ad-hoc networks. A table driven proactive routing protocol Optimized Link State Protocol (OLSR has available topology information and routes. OLSR’s efficiency depends on Multipoint relay selection. Various studies were conducted to decrease control traffic overheads through modification of existing OLSR routing protocol and traffic shaping based on packet priority. This study proposes a modification of OLSR using swarm intelligence, Hybrid Particle Swarm Optimization (HPSO using Gravitational Search Algorithm (GSA and evaluation of performance of jitter, end to end delay, data drop and throughput. Simulation was carried out to investigate the proposed method for the network’s multimedia traffic.

  16. The effect of particle rotation in multi-particle flow simulations

    Science.gov (United States)

    Sierakowski, Adam; Prosperetti, Andrea

    2013-11-01

    In multi-particle flow simulations, particle rotation is difficult to calculate and is often imprecisely accounted for or ignored altogether. We examine the effect of these procedures on the overall flow characteristics through large systems of particles when the particle center is fixed and either allowed or not to rotate. We use a newly developed GPU-centric implementation of the Physalis method for the solution of the Navier-Stokes equations in the presence of finite-size spheres. We investigate periodic systems of more than 100 randomly-distributed particles at Reynolds numbers up to 100. By considering flow characteristics such as mean velocity and pressure drop, we shed light on the importance of including particle rotation effects in large particle-flow simulations. Study supported by NSF grant CBET 1258398.

  17. Molecular Dynamics Simulations of Janus Particle Dynamics in Uniform Flow

    CERN Document Server

    Archereau, Aurelien Y M; Willmott, Geoff R

    2016-01-01

    We use molecular dynamics simulations to study the dynamics of Janus particles, micro- or nanoparticles which are not spherically symmetric, in the uniform flow of a simple liquid. In particular we consider spheres with an asymmetry in the solid-liquid interaction over their surfaces and calculate the forces and torques experienced by the particles as a function of their orientation with respect to the flow. We also examine particles that are deformed slightly from a spherical shape. We compare the simulation results to the predictions of a previously introduced theoretical approach, which computes the forces and torques on particles with variable slip lengths or aspherical deformations that are much smaller than the particle radius. We find that there is good agreement between the forces and torques computed from our simulations and the theoretical predictions, when the slip condition is applied to the first layer of liquid molecules adjacent to the surface.

  18. Simulation of particle distribution in a room with air cleaner

    DEFF Research Database (Denmark)

    Ardkapan, Siamak Rahimi; Afshari, Alireza; Nielsen, Peter V.

    2012-01-01

    gas and particles with different sizes.The proper turbulence model was selected after comparing the results with the behaviour of the gass in the test room. The simulations showed the effect that the location of an air cleaner had on the particle level. The results showed that the location of the air...... and particle phase model for simulating an air cleaner in a room. In addition, the aim is to study the impact of location of an air cleaner in a room. The dynamics of the particle inside a room was simulated by computational fluid dynamics software. Furthermore, the air change rate was measured by both tracer...... cleaner in relation to inlet, outlet and particle source had a significant effect on the effectiveness of the air cleaner....

  19. Determining pitch-angle diffusion coefficients from test particle simulations

    CERN Document Server

    Ivascenko, A; Spanier, F; Vainio, R

    2016-01-01

    Transport and acceleration of charged particles in turbulent media is a topic of great interest in space physics and interstellar astrophysics. These processes are dominated by the scattering of particles off magnetic irregularities. The scattering process itself is usually described by small-angle scattering with the pitch-angle coefficient $D_{\\mu\\mu}$ playing a major role. Since the diffusion coefficient $D_{\\mu\\mu}$ can be determined analytically only for the approximation of quasi-linear theory, the determination of this coefficient from numerical simulations has, therefore, become more important. So far these simulations yield particle tracks for small-scale scattering, which can then be interpreted using the running diffusion coefficients. This method has a limited range of validity. This paper presents two new methods that allow for the calculation of the pitch-angle diffusion coefficient from numerical simulations. These methods no longer analyse particle trajectories, but the change of particle dist...

  20. A Kernel-Free Particle-Finite Element Method for Hypervelocity Impact Simulation. Chapter 4

    Science.gov (United States)

    Park, Young-Keun; Fahrenthold, Eric P.

    2004-01-01

    An improved hybrid particle-finite element method has been developed for the simulation of hypervelocity impact problems. Unlike alternative methods, the revised formulation computes the density without reference to any kernel or interpolation functions, for either the density or the rate of dilatation. This simplifies the state space model and leads to a significant reduction in computational cost. The improved method introduces internal energy variables as generalized coordinates in a new formulation of the thermomechanical Lagrange equations. Example problems show good agreement with exact solutions in one dimension and good agreement with experimental data in a three dimensional simulation.

  1. Direct numerical simulation of particles in a turbulent channel flow

    Science.gov (United States)

    Tyagi, Ankit; Kumaran, Vishwanathan

    2016-11-01

    Goswami and Kumaran(2009a,b,2011a) studied the effect of fluid turbulence on particle phase in DNS.However,their studies were restricted to one way coupling where the effect of particles on fluid turbulence was not incorporated. We have extended their work by formulating a reverse force treatment through multipole expansion for the particle disturbance to the fluid turbulence.Here,the fluid velocity, strain rate and rotation rate at the particle position are used,as a far field,to calculate the disturbance caused by the particle and relaxing the point particle approximation.The simulations are done at high Stokes number where the fluid velocity fluctuations are uncorrelated over time scales of the particle dynamics.The results indicate that the particle mean velocity and stress are reduced when reverse force is incorporated.Level of reduction increases with mass loading and Stokes number.The variance of particle distribution function is reduced due to reduction in the fluid turbulent intensities.The particle velocity,angular velocity distribution function and stresses are compared for simulations where only the reverse force is incorporated, and where the dipoles are also incorporated, to examine the effect of force dipoles on the fluid turbulence and the particle distributions.

  2. Utilization of MATLAB in Simulation of Linear Hybrid Circuits

    OpenAIRE

    BRANCIK, L.

    2003-01-01

    In the paper a MATLAB-based method for simulating transient phenomena in linear hybrid circuits containing parts with both lumped and distributed parameters is presented. Distributed parts of the circuit are multiconductor transmission lines, which can generally be nonuniform, with frequency-dependent parameters, and under nonzero initial voltage and/or current distributions. In principle a solution is formulated using the modified nodal analysis method in the frequency domain. Subsequently a...

  3. Computer simulation of carburizers particles heating in liquid metal

    Directory of Open Access Journals (Sweden)

    K. Janerka

    2010-01-01

    Full Text Available In this article are introduced the problems of computer simulation of carburizers particles heating (anthracite, graphite and petroleum coke, which are present in liquid metal. The diameter of particles, their quantity, relative velocity of particles and liquid metal and the thermophysical properties of materials (thermal conductivity, specific heat and thermal diffusivity have been taken into account in calculations. The analysis has been carried out in the aspect of liquid metal carburization in metallurgical furnaces.

  4. Particle size analyses of porous silica and hybrid silica chromatographic support particles. Comparison of flow/hyperlayer field-flow fractionation with scanning electron microscopy, electrical sensing zone, and static light scattering.

    Science.gov (United States)

    Xu, Yuehong

    2008-05-16

    Porous silica and hybrid silica chromatographic support particles having particle diameters ranging approximately from 1 microm to 15 microm have been characterized by flow/hyperlayer field-flow fractionation (FFF). The particle size accuracy has been improved significantly in this work by a second-order polynomial calibration. Very good agreement between the FFF data and scanning electron microscopic (SEM) results has been achieved. The effects of particle porosity, pore sizes, and particle sizes on the particle size accuracy in electrical sensing zone (ESZ) analyses have been discussed. It has been demonstrated by computer simulation and experimental measurements that false peaks can be generated in certain particle size regions when the static light scattering (SLS) technique is applied to tightly distributed spherical chromatographic support particles.

  5. Recent advances in the simulation of particle-laden flows

    NARCIS (Netherlands)

    Harting, J.D.R.; Frijters, M.; Ramaioli, Marco; Wolf, D.E.; Luding, S.

    2014-01-01

    A substantial number of algorithms exists for the simulation of moving particles suspended in fluids. However, finding the best method to address a particular physical problem is often highly non-trivial and depends on the properties of the particles and the involved fluid(s) together. In this repor

  6. Computational Simulations of Magnetic Particle Capture in Arterial Flows

    NARCIS (Netherlands)

    Haverkort, J.W.; Kenjeres, S.; Kleijn, C.R.

    2009-01-01

    The aim of Magnetic Drug Targeting (MDT) is to concentrate drugs, attached to magnetic particles, in a specific part of the human body by applying a magnetic field. Computational simulations are performed of blood flow and magnetic particle motion in a left coronary artery and a carotid artery, usin

  7. A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

    Energy Technology Data Exchange (ETDEWEB)

    Ku, S. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Hager, R. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Chang, C. S. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Kwon, J. M. [National Fusion Research Institute, Republic of Korea; Parker, S. E. [University of Colorado Boulder, USA

    2016-06-01

    In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.

  8. A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

    Energy Technology Data Exchange (ETDEWEB)

    Ku, S., E-mail: sku@pppl.gov [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ 08543 (United States); Hager, R.; Chang, C.S. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ 08543 (United States); Kwon, J.M. [National Fusion Research Institute (Korea, Republic of); Parker, S.E. [University of Colorado Boulder (United States)

    2016-06-15

    In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.

  9. A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

    Science.gov (United States)

    Ku, S.; Hager, R.; Chang, C. S.; Kwon, J. M.; Parker, S. E.

    2016-06-01

    In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation - e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others - can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function - driven by ionization, charge exchange and wall loss - is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.

  10. STEM image simulation with hybrid CPU/GPU programming.

    Science.gov (United States)

    Yao, Y; Ge, B H; Shen, X; Wang, Y G; Yu, R C

    2016-07-01

    STEM image simulation is achieved via hybrid CPU/GPU programming under parallel algorithm architecture to speed up calculation on a personal computer (PC). To utilize the calculation power of a PC fully, the simulation is performed using the GPU core and multi-CPU cores at the same time to significantly improve efficiency. GaSb and an artificial GaSb/InAs interface with atom diffusion have been used to verify the computation. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Hybrid and electric advanced vehicle systems (heavy) simulation

    Science.gov (United States)

    Hammond, R. A.; Mcgehee, R. K.

    1981-01-01

    A computer program to simulate hybrid and electric advanced vehicle systems (HEAVY) is described. It is intended for use early in the design process: concept evaluation, alternative comparison, preliminary design, control and management strategy development, component sizing, and sensitivity studies. It allows the designer to quickly, conveniently, and economically predict the performance of a proposed drive train. The user defines the system to be simulated using a library of predefined component models that may be connected to represent a wide variety of propulsion systems. The development of three models are discussed as examples.

  12. Numerical Simulation of Particle Concentration in a Gas Cyclone Separator

    Institute of Scientific and Technical Information of China (English)

    Xue Xiaohu; Sun Guogang; Wan Gujun; Shi Mingxian

    2007-01-01

    The particle concentration inside a cyclone separator at different operation parameters was simulated with the FLUENT software. The Advanced Reynolds Stress Model (ARSM) was used in gas phase turbulence modeling.Stochastic Particle Tracking Model (SPTM) and the Particle-Source-In-Cell (PSIC) method were adopted for particles computing. The interaction between particles and the gas phase was also taken into account. The numerical simulation results were in agreement with the experimental data. The simulation revealed that an unsteady spiral dust strand appeared near the cyclone wall and a non-axi-symmetrical dust ring appeared in the annular space and under the cover plate of the cyclone. There were two regions in the radial particle concentration distribution, in which particle concentration was low in the inner region (r/R≤0.75) and increased greatly in the outer region (r/R>0.75). Large particles generally had higher concentration in the near-wall region and small particles had higher concentration in the inner swirling flow region. The axial distribution of particle concentration in the inner swirling flow (r/R≤0.3) region showed that there existed serious fine particle entrainment within the height of 0.5D above the dust discharge port and a short-cut flow at a distance of about 0.25D below the entrance of the vortex finder. The dimensionless concentration in the high-concentration region increased obviously in the upper part of the cyclone separation space when inlet particle loading was large. With increasing gas temperature, the particle separation ability of the cyclone was obviously weakened.

  13. Extended particle-based simulation for magnetic-aligned compaction of hard magnetic particles

    Energy Technology Data Exchange (ETDEWEB)

    Soda, Rikio; Takagi, Kenta; Ozaki, Kimihiro, E-mail: r-soda@aist.go.jp

    2015-12-15

    In order to understand the magnetic-aligned compaction process, we develop a three-dimensional (3D) discrete element method for simulating the motion of hard magnetic particles subjected to strong compression and magnetic fields. The proposed simulation model also considers the exact magnetic force involved via the calculation of the magnetic moment. First, to validate the simulation model, single-action compaction in the absence of a magnetic field was calculated. The calculated compaction curves are in good quantitative agreement with experimental ones. Based on this simulation model, the alignment behavior of Nd–Fe–B particles during compression under the application of a static magnetic field. The developed simulation model enables the visualization of particle behavior including the misorientation of the magnetization easy axis, which provided the quantitative relationships between applied pressure and particle misorientation. - Highlights: • A practical 3D DEM simulation technique for magnetic-aligned compaction was developed. • An extended simulation model was introduced for hard magnetic particles. • Magnetic-aligned compaction was simulated using the developed simulation model.

  14. Dynamic Garment Simulation based on Hybrid Bounding Volume Hierarchy

    Directory of Open Access Journals (Sweden)

    Zhu Dongyong

    2016-12-01

    Full Text Available In order to solve the computing speed and efficiency problem of existing dynamic clothing simulation, this paper presents a dynamic garment simulation based on a hybrid bounding volume hierarchy. It firstly uses MCASG graph theory to do the primary segmentation for a given three-dimensional human body model. And then it applies K-means cluster to do the secondary segmentation to collect the human body’s upper arms, lower arms, upper legs, lower legs, trunk, hip and woman’s chest as the elementary units of dynamic clothing simulation. According to different shapes of these elementary units, it chooses the closest and most efficient hybrid bounding box to specify these units, such as cylinder bounding box and elliptic cylinder bounding box. During the process of constructing these bounding boxes, it uses the least squares method and slices of the human body to get the related parameters. This approach makes it possible to use the least amount of bounding boxes to create close collision detection regions for the appearance of the human body. A spring-mass model based on a triangular mesh of the clothing model is finally constructed for dynamic simulation. The simulation result shows the feasibility and superiority of the method described.

  15. SIMULATION OF TRANSLATIONAL - ROTATIONAL MOTION OF WOOD PARTICLES DURING THE PROCESS OF PARTICLE ORIENTATION

    Directory of Open Access Journals (Sweden)

    Sergey PLOTNIKOV

    2014-09-01

    Full Text Available The simulation from the motion of flat particle revealed that the fall depends on the height of the drop, the thickness and density of the particles and does not depend on its length and width. The drop in air is about 20% longer than in vacuum. During orientation from angular particles the velocity of rotating particles with a length of 150mm is reduced by 18%, for particles with a length of 75mm by 12%. This reduction increases linearly with decreasing density of particles. A velocity field acting on the particle in the fall and rotation was presented. The results of the study prove the possibility to reduce the scatter of the particles during the mat's formation, that in turns can increase the board’s bending strength.

  16. OPTIMIZED PARTICLE SWARM OPTIMIZATION BASED DEADLINE CONSTRAINED TASK SCHEDULING IN HYBRID CLOUD

    Directory of Open Access Journals (Sweden)

    Dhananjay Kumar

    2016-01-01

    Full Text Available Cloud Computing is a dominant way of sharing of computing resources that can be configured and provisioned easily. Task scheduling in Hybrid cloud is a challenge as it suffers from producing the best QoS (Quality of Service when there is a high demand. In this paper a new resource allocation algorithm, to find the best External Cloud provider when the intermediate provider’s resources aren’t enough to satisfy the customer’s demand is proposed. The proposed algorithm called Optimized Particle Swarm Optimization (OPSO combines the two metaheuristic algorithms namely Particle Swarm Optimization and Ant Colony Optimization (ACO. These metaheuristic algorithms are used for the purpose of optimization in the search space of the required solution, to find the best resource from the pool of resources and to obtain maximum profit even when the number of tasks submitted for execution is very high. This optimization is performed to allocate job requests to internal and external cloud providers to obtain maximum profit. It helps to improve the system performance by improving the CPU utilization, and handle multiple requests at the same time. The simulation result shows that an OPSO yields 0.1% - 5% profit to the intermediate cloud provider compared with standard PSO and ACO algorithms and it also increases the CPU utilization by 0.1%.

  17. Advanced visualization technology for terascale particle accelerator simulations

    Energy Technology Data Exchange (ETDEWEB)

    Ma, K-L; Schussman, G.; Wilson, B.; Ko, K.; Qiang, J.; Ryne, R.

    2002-11-16

    This paper presents two new hardware-assisted rendering techniques developed for interactive visualization of the terascale data generated from numerical modeling of next generation accelerator designs. The first technique, based on a hybrid rendering approach, makes possible interactive exploration of large-scale particle data from particle beam dynamics modeling. The second technique, based on a compact texture-enhanced representation, exploits the advanced features of commodity graphics cards to achieve perceptually effective visualization of the very dense and complex electromagnetic fields produced from the modeling of reflection and transmission properties of open structures in an accelerator design. Because of the collaborative nature of the overall accelerator modeling project, the visualization technology developed is for both desktop and remote visualization settings. We have tested the techniques using both time varying particle data sets containing up to one billion particle s per time step and electromagnetic field data sets with millions of mesh elements.

  18. New hybrid voxelized/analytical primitive in Monte Carlo simulations for medical applications

    Science.gov (United States)

    Bert, Julien; Lemaréchal, Yannick; Visvikis, Dimitris

    2016-05-01

    Monte Carlo simulations (MCS) applied in particle physics play a key role in medical imaging and particle therapy. In such simulations, particles are transported through voxelized phantoms derived from predominantly patient CT images. However, such voxelized object representation limits the incorporation of fine elements, such as artificial implants from CAD modeling or anatomical and functional details extracted from other imaging modalities. In this work we propose a new hYbrid Voxelized/ANalytical primitive (YVAN) that combines both voxelized and analytical object descriptions within the same MCS, without the need to simultaneously run two parallel simulations, which is the current gold standard methodology. Given that YVAN is simply a new primitive object, it does not require any modifications on the underlying MC navigation code. The new proposed primitive was assessed through a first simple MCS. Results from the YVAN primitive were compared against an MCS using a pure analytical geometry and the layer mass geometry concept. A perfect agreement was found between these simulations, leading to the conclusion that the new hybrid primitive is able to accurately and efficiently handle phantoms defined by a mixture of voxelized and analytical objects. In addition, two application-based evaluation studies in coronary angiography and intra-operative radiotherapy showed that the use of YVAN was 6.5% and 12.2% faster than the layered mass geometry method, respectively, without any associated loss of accuracy. However, the simplification advantages and differences in computational time improvements obtained with YVAN depend on the relative proportion of the analytical and voxelized structures used in the simulation as well as the size and number of triangles used in the description of the analytical object meshes.

  19. New hybrid voxelized/analytical primitive in Monte Carlo simulations for medical applications.

    Science.gov (United States)

    Bert, Julien; Lemaréchal, Yannick; Visvikis, Dimitris

    2016-05-01

    Monte Carlo simulations (MCS) applied in particle physics play a key role in medical imaging and particle therapy. In such simulations, particles are transported through voxelized phantoms derived from predominantly patient CT images. However, such voxelized object representation limits the incorporation of fine elements, such as artificial implants from CAD modeling or anatomical and functional details extracted from other imaging modalities. In this work we propose a new hYbrid Voxelized/ANalytical primitive (YVAN) that combines both voxelized and analytical object descriptions within the same MCS, without the need to simultaneously run two parallel simulations, which is the current gold standard methodology. Given that YVAN is simply a new primitive object, it does not require any modifications on the underlying MC navigation code. The new proposed primitive was assessed through a first simple MCS. Results from the YVAN primitive were compared against an MCS using a pure analytical geometry and the layer mass geometry concept. A perfect agreement was found between these simulations, leading to the conclusion that the new hybrid primitive is able to accurately and efficiently handle phantoms defined by a mixture of voxelized and analytical objects. In addition, two application-based evaluation studies in coronary angiography and intra-operative radiotherapy showed that the use of YVAN was 6.5% and 12.2% faster than the layered mass geometry method, respectively, without any associated loss of accuracy. However, the simplification advantages and differences in computational time improvements obtained with YVAN depend on the relative proportion of the analytical and voxelized structures used in the simulation as well as the size and number of triangles used in the description of the analytical object meshes.

  20. Computer simulations of particle-bubble interactions and particle sliding using Discrete Element Method.

    Science.gov (United States)

    Maxwell, R; Ata, S; Wanless, E J; Moreno-Atanasio, R

    2012-09-01

    Three dimensional Discrete Element Method (DEM) computer simulations have been carried out to analyse the kinetics of collision of multiple particles against a stationary bubble and the sliding of the particles over the bubble surface. This is the first time that a computational analysis of the sliding time and particle packing arrangements of multiple particles on the surface of a bubble has been carried out. The collision kinetics of monodisperse (33 μm in radius) and polydisperse (12-33 μm in radius) particle systems have been analysed in terms of the time taken by 10%, 50% and 100% of the particles to collide against the bubble. The dependencies of these collision times on the strength of hydrophobic interactions follow relationships close to power laws. However, minimal sensitivity of the collision times to particle size was found when linear and square relationships of the hydrophobic force with particles radius were considered. The sliding time for single particles has corroborated published theoretical expressions. Finally, a good qualitative comparison with experiments has been observed with respect to the particle packing at the bottom of the bubble after sliding demonstrating the usefulness of computer simulations in the studies of particle-bubble systems.

  1. Simulations of Shock Wave Interaction with a Particle Cloud

    Science.gov (United States)

    Koneru, Rahul; Rollin, Bertrand; Ouellet, Frederick; Annamalai, Subramanian; Balachandar, S.'Bala'

    2016-11-01

    Simulations of a shock wave interacting with a cloud of particles are performed in an attempt to understand similar phenomena observed in dispersal of solid particles under such extreme environment as an explosion. We conduct numerical experiments in which a particle curtain fills only 87% of the shock tube from bottom to top. As such, the particle curtain upon interaction with the shock wave is expected to experience Kelvin-Helmholtz (KH) and Richtmyer-Meshkov (RM) instabilities. In this study, the initial volume fraction profile matches with that of Sandia Multiphase Shock Tube experiments, and the shock Mach number is limited to M =1.66. In these simulations we use a Eulerian-Lagrangian approach along with state-of-the-art point-particle force and heat transfer models. Measurements of particle dispersion are made at different initial volume fractions of the particle cloud. A detailed analysis of the evolution of the particle curtain with respect to the initial conditions is presented. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, Contract No. DE-NA0002378.

  2. Monte Carlo simulation for simultaneous particle coagulation and deposition

    Institute of Scientific and Technical Information of China (English)

    ZHAO; Haibo; ZHENG; Chuguang

    2006-01-01

    The process of dynamic evolution in dispersed systems due to simultaneous particle coagulation and deposition is described mathematically by general dynamic equation (GDE). Monte Carlo (MC) method is an important approach of numerical solutions of GDE. However, constant-volume MC method exhibits the contradictory of low computation cost and high computation precision owing to the fluctuation of the number of simulation particles; constant-number MC method can hardly be applied to engineering application and general scientific quantitative analysis due to the continual contraction or expansion of computation domain. In addition, the two MC methods depend closely on the "subsystem" hypothesis, which constraints their expansibility and the scope of application. A new multi-Monte Carlo (MMC) method is promoted to take account of GDE for simultaneous particle coagulation and deposition. MMC method introduces the concept of "weighted fictitious particle" and is based on the "time-driven" technique. Furthermore MMC method maintains synchronously the computational domain and the total number of fictitious particles, which results in the latent expansibility of simulation for boundary condition, the space evolution of particle size distribution and even particle dynamics. The simulation results of MMC method for two special cases in which analytical solutions exist agree with analytical solutions well, which proves that MMC method has high and stable computational precision and low computation cost because of the constant and limited number of fictitious particles. Lastly the source of numerical error and the relative error of MMC method are analyzed, respectively.

  3. Particle-scale simulation of fluidized bed with immersed tubes

    Institute of Scientific and Technical Information of China (English)

    Yongzhi ZHAO; Maoqiang JIANG; Yi CHENG

    2008-01-01

    In order to simulate gas-solids flows with complex geometry,the boundary element method was incorporated into the implementation of a combined model of computational fluid dynamics and discrete element method.The resulting method was employed to simulate hydrodynamics in a fluidized bed with immersed tubes.The transient simulation results showed particle and bubble dynamics.The bubble coalescence and break-up behavior when passing the immersed tubes was successfully predicted.The gas-solid flow pattern in the fluidized bed is changed greatly because of the immersed tubes.As particles and gas are come in contact with the immersed tubes,the gas bubbles will be deformed.The collisions between particles arid tubes will make the tubes sur-rounded by air pockets most of the time and this is unfavorable for the heat transfer between particles and tubes.

  4. Launch Environment Water Flow Simulations Using Smoothed Particle Hydrodynamics

    Science.gov (United States)

    Vu, Bruce T.; Berg, Jared J.; Harris, Michael F.; Crespo, Alejandro C.

    2015-01-01

    This paper describes the use of Smoothed Particle Hydrodynamics (SPH) to simulate the water flow from the rainbird nozzle system used in the sound suppression system during pad abort and nominal launch. The simulations help determine if water from rainbird nozzles will impinge on the rocket nozzles and other sensitive ground support elements.

  5. Multiscale Hy3S: Hybrid stochastic simulation for supercomputers

    Directory of Open Access Journals (Sweden)

    Kaznessis Yiannis N

    2006-02-01

    Full Text Available Abstract Background Stochastic simulation has become a useful tool to both study natural biological systems and design new synthetic ones. By capturing the intrinsic molecular fluctuations of "small" systems, these simulations produce a more accurate picture of single cell dynamics, including interesting phenomena missed by deterministic methods, such as noise-induced oscillations and transitions between stable states. However, the computational cost of the original stochastic simulation algorithm can be high, motivating the use of hybrid stochastic methods. Hybrid stochastic methods partition the system into multiple subsets and describe each subset as a different representation, such as a jump Markov, Poisson, continuous Markov, or deterministic process. By applying valid approximations and self-consistently merging disparate descriptions, a method can be considerably faster, while retaining accuracy. In this paper, we describe Hy3S, a collection of multiscale simulation programs. Results Building on our previous work on developing novel hybrid stochastic algorithms, we have created the Hy3S software package to enable scientists and engineers to both study and design extremely large well-mixed biological systems with many thousands of reactions and chemical species. We have added adaptive stochastic numerical integrators to permit the robust simulation of dynamically stiff biological systems. In addition, Hy3S has many useful features, including embarrassingly parallelized simulations with MPI; special discrete events, such as transcriptional and translation elongation and cell division; mid-simulation perturbations in both the number of molecules of species and reaction kinetic parameters; combinatorial variation of both initial conditions and kinetic parameters to enable sensitivity analysis; use of NetCDF optimized binary format to quickly read and write large datasets; and a simple graphical user interface, written in Matlab, to help users

  6. N-S/DSMC hybrid simulation of hypersonic flow over blunt body including wakes

    Science.gov (United States)

    Li, Zhonghua; Li, Zhihui; Li, Haiyan; Yang, Yanguang; Jiang, Xinyu

    2014-12-01

    A hybrid N-S/DSMC method is presented and applied to solve the three-dimensional hypersonic transitional flows by employing the MPC (modular Particle-Continuum) technique based on the N-S and the DSMC method. A sub-relax technique is adopted to deal with information transfer between the N-S and the DSMC. The hypersonic flows over a 70-deg spherically blunted cone under different Kn numbers are simulated using the CFD, DSMC and hybrid N-S/DSMC method. The present computations are found in good agreement with DSMC and experimental results. The present method provides an efficient way to predict the hypersonic aerodynamics in near-continuum transitional flow regime.

  7. Vlasov Simulations of Ionospheric Heating Near Upper Hybrid Resonance

    Science.gov (United States)

    Najmi, A. C.; Eliasson, B. E.; Shao, X.; Milikh, G. M.; Papadopoulos, K.

    2014-12-01

    It is well-known that high-frequency (HF) heating of the ionosphere can excite field- aligned density striations (FAS) in the ionospheric plasma. Furthermore, in the neighborhood of various resonances, the pump wave can undergo parametric instabilities to produce a variety of electrostatic and electromagnetic waves. We have used a Vlasov simulation with 1-spatial dimension, 2-velocity dimensions, and 2-components of fields, to study the effects of ionospheric heating when the pump frequency is in the vicinity of the upper hybrid resonance, employing parameters currently available at ionospheric heaters such as HAARP. We have found that by seeding theplasma with a FAS of width ~20% of the simulation domain, ~10% depletion, and by applying a spatially uniform HF dipole pump electric field, the pump wave gives rise to a broad spectrum of density fluctuations as well as to upper hybrid and lower hybrid oscillating electric fields. We also observe collisionless bulk-heating of the electrons that varies non-linearly with the amplitude of the pump field.

  8. Ultrasensitive Cracking-Assisted Strain Sensors Based on Silver Nanowires/Graphene Hybrid Particles.

    Science.gov (United States)

    Chen, Song; Wei, Yong; Wei, Siman; Lin, Yong; Liu, Lan

    2016-09-28

    Strain sensors with ultrahigh sensitivity under microstrain have numerous potential applications in heartbeat monitoring, pulsebeat detection, sound signal acquisition, and recognition. In this work, a two-part strain sensor (i.e., polyurethane part and brittle conductive hybrid particles layer on top) based on silver nanowires/graphene hybrid particles is developed via a simple coprecipitation, reduction, vacuum filtration, and casting process. Because of the nonuniform interface, weak interfacial bonding, and the hybrid particles' point-to-point conductive networks, the crack and overlap morphologies are successfully formed on the strain sensor after a prestretching; the crack-based stain sensor exhibits gauge factors as high as 20 (Δε sensor. Combined with its good response to bending, high strain resolution, and high working stability, the developed strain sensor is promising in the applications of electronic skins, motion sensors, and health monitoring sensors.

  9. Towards hydrodynamic simulations of wet particle systems

    NARCIS (Netherlands)

    Roy, S.; Luding, S.; Weinhart, T.

    2015-01-01

    This paper presents the rheology of weakly wetted granular materials in the slow frictional regime, using Discrete Element Method (DEM) simulations. In a split-bottom ring shear cell geometry a slow, quasi-static deformation leads to wide shear bands away from the walls. Dry non-cohesive and cohesiv

  10. Accelerated stochastic and hybrid methods for spatial simulations of reaction diffusion systems

    Science.gov (United States)

    Rossinelli, Diego; Bayati, Basil; Koumoutsakos, Petros

    2008-01-01

    Spatial distributions characterize the evolution of reaction-diffusion models of several physical, chemical, and biological systems. We present two novel algorithms for the efficient simulation of these models: Spatial τ-Leaping ( Sτ-Leaping), employing a unified acceleration of the stochastic simulation of reaction and diffusion, and Hybrid τ-Leaping ( Hτ-Leaping), combining a deterministic diffusion approximation with a τ-Leaping acceleration of the stochastic reactions. The algorithms are validated by solving Fisher's equation and used to explore the role of the number of particles in pattern formation. The results indicate that the present algorithms have a nearly constant time complexity with respect to the number of events (reaction and diffusion), unlike the exact stochastic simulation algorithm which scales linearly.

  11. Quantum efficiency of colloidal suspensions containing quantum dot/silica hybrid particles

    Science.gov (United States)

    Jeon, Hyungjoon; Yoon, Cheolsang; Lee, Sooho; Lee, Doh C.; Shin, Kyusoon; Lee, Kangtaek

    2016-10-01

    We have investigated the fluorescence properties of colloidal suspensions conntaining quantum dot (QD)/silica hybrid particles. First, we synthesized QD/silica hybrid particles with silica-QD-silica (SQS) core-shell-shell geometry, and monitored the quantum efficiencies of their suspensions at various particle concentrations. We found that the quantum efficiency (QE) of SQS particles in deionized (DI) water was much lower than that of the QDs even at low particle concentration, mainly due to the light scattering of emitted photons at the silica/water interface, followed by reabsorption by QDs. As the concentration of SQS particles was increased, both light scattering and reabsorption by QDs became more important, which further reduced the QE. Refractive index-matched solvent, however, reduced light scattering, yielding greater QE than DI water. Next, we induced aggregation of SQS particles, and found that QE increased as particles aggregated in DI water because of reduced light scattering and reabsorption, whereas it remained almost constant in the refractive index-matched solvent. Finally, we studied aggregation of highly concentrated silica particle suspensions containing a low concentration of SQS particles, and found that QE increased with aggregation because light scattering and reabsorption were reduced.

  12. Simulating confined particles with a flat density profile

    Science.gov (United States)

    Korolkovas, Airidas

    2016-08-01

    Particle simulations confined by sharp walls usually develop an oscillatory density profile. For some applications, most notably soft matter liquids, this behavior is often unrealistic and one expects a monotonic density climb instead. To reconcile simulations with experiments, we propose mirror-and-shift boundary conditions where each interface is mapped to a distant part of itself. The main result is that the particle density increases almost monotonically from zero to bulk, over a short distance of about one particle diameter. The method is applied to simulate a polymer brush in explicit solvent, grafted on a flat silicon substrate. The simulated density profile agrees favorably with neutron reflectometry measurements and self-consistent field theory results.

  13. Simulations of Energetic Particles Interacting with Dynamical Magnetic Turbulence

    Science.gov (United States)

    Hussein, M.; Shalchi, A.

    2016-02-01

    We explore the transport of energetic particles in interplanetary space by using test-particle simulations. In previous work such simulations have been performed by using either magnetostatic turbulence or undamped propagating plasma waves. In the current paper we simulate for the first time particle transport in dynamical turbulence. To do so we employ two models, namely the damping model of dynamical turbulence and the random sweeping model. We compute parallel and perpendicular diffusion coefficients and compare our numerical findings with solar wind observations. We show that good agreement can be found between simulations and the Palmer consensus range for both dynamical turbulence models if the ratio of turbulent magnetic field and mean field is δB/B0 = 0.5.

  14. Accelerating particle-in-cell simulations using multilevel Monte Carlo

    Science.gov (United States)

    Ricketson, Lee

    2015-11-01

    Particle-in-cell (PIC) simulations have been an important tool in understanding plasmas since the dawn of the digital computer. Much more recently, the multilevel Monte Carlo (MLMC) method has accelerated particle-based simulations of a variety of systems described by stochastic differential equations (SDEs), from financial portfolios to porous media flow. The fundamental idea of MLMC is to perform correlated particle simulations using a hierarchy of different time steps, and to use these correlations for variance reduction on the fine-step result. This framework is directly applicable to the Langevin formulation of Coulomb collisions, as demonstrated in previous work, but in order to apply to PIC simulations of realistic scenarios, MLMC must be generalized to incorporate self-consistent evolution of the electromagnetic fields. We present such a generalization, with rigorous results concerning its accuracy and efficiency. We present examples of the method in the collisionless, electrostatic context, and discuss applications and extensions for the future.

  15. Simulating confined particles with a flat density profile

    CERN Document Server

    Korolkovas, Airidas

    2016-01-01

    Particle simulations confined by sharp walls usually develop an oscillatory density profile. For some applications, most notably soft matter liquids, this behavior is often unrealistic and one expects a monotonic density climb instead. To reconcile simulations with experiments, we propose mirror-and-shift boundary conditions where each interface is mapped to a distant part of itself. The main result is that the particle density increases almost monotonically from zero to bulk, over a short distance of about one particle diameter. The method is applied to simulate a polymer brush in explicit solvent, grafted on a flat silicon substrate. The simulated density profile agrees favorably with neutron reflectometry measurements and self-consistent field theory results.

  16. PLASMA ENERGETIC PARTICLES SIMULATION CENTER (PEPSC)

    Energy Technology Data Exchange (ETDEWEB)

    Berk, Herbert L.

    2014-05-23

    The main effort of the Texas group was to develop theoretical and simplified numerical models to understand chirping phenomena often seen for Alfven and geodesic acoustic waves in experimental plasmas such as D-III-D, NSTX and JET. Its main numerical effort was to modify the AEGIS code, which was originally developed as an eigenvalue solver. To apply to the chirping problem this code has to be able to treat the linear response to the continuum and the response of the plasma to external drive or to an internal drive that comes from the formation of phase space chirping structures. The theoretical underpinning of this investigation still needed to be more fully developed to understand how to best formulate the theoretical problem. Considerable progress was made on this front by B.N. Breizman and his collaborators and a new reduced model was developed by H. L. Berk and his PhD student, G. Wang which can be uses as simplified model to describe chirping in a large aspect ratio tokamak. This final report will concentrate on these two directions that were developed as well as results that were found in the work with the AEGIS code and in the progress in developing a novel quasi-linear formulation for a description of Alfvenic modes destabilized by energetic particles, such as alpha particles in a burning plasma.

  17. Kinetic transport simulation of energetic particles

    Science.gov (United States)

    Sheng, He; Waltz, R. E.

    2016-05-01

    A kinetic transport code (EPtran) is developed for the transport of the energetic particles (EPs). The EPtran code evolves the EP distribution function in radius, energy, and pitch angle phase space (r, E, λ) to steady state with classical slowing down, pitch angle scattering, as well as radial and energy transport of the injected EPs (neutral beam injection (NBI) or fusion alpha). The EPtran code is illustrated by treating the transport of NBI fast ions from high-n ITG/TEM micro-turbulence and EP driven unstable low-n Alfvén eigenmodes (AEs) in a well-studied DIII-D NBI heated discharge with significant AE central core loss. The kinetic transport code results for this discharge are compared with previous study using a simple EP density moment transport code ALPHA (R.E. Waltz and E.M. Bass 2014 Nucl. Fusion 54 104006). The dominant EP-AE transport is treated with a local stiff critical EP density (or equivalent pressure) gradient radial transport model modified to include energy-dependence and the nonlocal effects EP drift orbits. All previous EP transport models assume that the EP velocity space distribution function is not significantly distorted from the classical ‘no transport’ slowing down distribution. Important transport distortions away from the slowing down EP spectrum are illustrated by a focus on the coefficient of convection: EP energy flux divided by the product of EP average energy and EP particle flux.

  18. Dissipative Particle Dynamics simulation of colloidal suspensions

    Science.gov (United States)

    Jamali, Safa; Boromand, Arman; Maia, Joao

    2014-03-01

    DPD as a mesoscale method was firstly proposed to study dynamics of suspensions under flow condition. However the proposed method failed to capture shear properties of suspensions because it lacked: first a potential to reproduce lubrication forces and second a clear definition for the colloid surface. Recently we reported a modified DPD method which defines colloidal particles as particles with hard core and a dissipative coat. An additional lubrication force was introduced to include the short-range hydrodynamics that are not captured in original DPD. The model was found to be able to reproduce shear properties of suspensions for a wide range of different systems, from monodisperse to bimodal with different volume fractions, compositions and size ratios. In present work our modified DPD method is employed to study both equilibrium and flow properties of colloidal suspension. Zero shear viscosity of suspension is measured using Green-Kubo expressions and the results are compared to theoretical predictions. Furthermore, structure formation in suspensions is studied in respect to energy landscape of the fluid both at rest and under flow.

  19. Modeling of electron-electron collisions for particle-in-cell simulations

    Energy Technology Data Exchange (ETDEWEB)

    Andrea, D. d' ; Munz, C.D.; Schneider, R.

    2006-09-15

    The modeling of the physics of pulsed plasma thrusters requires the numerical solution of the Boltzmann equation for rarefied plasma flows where continuum assumptions fail. To tackle this challenging task, a cooperation between several institutes has been formed with the goal to develop a hybrid code based on Particle-In-Cell and Direct Simulation Monte Carlo techniques. These development activities are bundled in the project ''Numerische Simulation und Auslegung eines instationaeren gepulsten magnetoplasmadynamischen Triebwerks fuer eine Mondsonde'' which is funded by the Landesstiftung Baden-Wuerttemberg within the subject area ''Modellierung und Simulation auf Hochleistungscomputern''. In the frame of this project, the IHM is in charge to develop suitable physical-mathematical and numerical models to include charged particle collisions into the simulation. which can significantly affect the Parameters of such plasma devices. The intention of the present report is to introduce the Fokker-Planck approach for electron-electron interaction in Standard charged particle simulations. where the impact Parameter is usually large resulting in a small deflection angle. The theoretical and applicative framework is discussed in detail paying particular attention to the Particle-In-Cell approach in velocity space. a new technique which allows the self-consistent computation of the friction and diffusion coefficients arising from the Fokker-Planck treatment of collisions. These velocity-dependent coefficients thernselves are responsible for the change in velocity of the simulation particles, which is determined by the numerical solution of a Langevin-type equation. Simulation results for typical numerical experiments computed with the new developed Fokker-Planck solver are presented. demonstrating the quality. property and reliability of the applied numerical methods. (orig.)

  20. Hybrid Computational Simulation and Study of Terahertz Pulsed Photoconductive Antennas

    Science.gov (United States)

    Emadi, R.; Barani, N.; Safian, R.; Nezhad, A. Zeidaabadi

    2016-08-01

    A photoconductive antenna (PCA) has been numerically investigated in the terahertz (THz) frequency band based on a hybrid simulation method. This hybrid method utilizes an optoelectronic solver, Silvaco TCAD, and a full-wave electromagnetic solver, CST. The optoelectronic solver is used to find the accurate THz photocurrent by considering realistic material parameters. Performance of photoconductive antennas and temporal behavior of the excited photocurrent for various active region geometries such as bare-gap electrode, interdigitated electrodes, and tip-to-tip rectangular electrodes are investigated. Moreover, investigations have been done on the center of the laser illumination on the substrate, substrate carrier lifetime, and diffusion photocurrent associated with the carriers temperature, to achieve efficient and accurate photocurrent. Finally, using the full-wave electromagnetic solver and the calculated photocurrent obtained from the optoelectronic solver, electromagnetic radiation of the antenna and its associated detected THz signal are calculated and compared with a measurement reference for verification.

  1. Computational simulation of intermingled-fiber hybrid composite behavior

    Science.gov (United States)

    Mital, Subodh K.; Chamis, Christos C.

    1992-01-01

    Three-dimensional finite-element analysis and a micromechanics based computer code ICAN (Integrated Composite Analyzer) are used to predict the composite properties and microstresses of a unidirectional graphite/epoxy primary composite with varying percentages of S-glass fibers used as hydridizing fibers at a total fiber volume of 0.54. The three-dimensional finite-element model used in the analyses consists of a group of nine fibers, all unidirectional, in a three-by-three unit cell array. There is generally good agreement between the composite properties and microstresses obtained from both methods. The results indicate that the finite-element methods and the micromechanics equations embedded in the ICAN computer code can be used to obtain the properties of intermingled fiber hybrid composites needed for the analysis/design of hybrid composite structures. However, the finite-element model should be big enough to be able to simulate the conditions assumed in the micromechanics equations.

  2. Wind hybrid electrical supply system: behaviour simulation and sizing optimization

    Science.gov (United States)

    Notton, G.; Cristofari, C.; Poggi, P.; Muselli, M.

    2001-04-01

    Using a global approach, a wind hybrid system operation is simulated and the evolution of several parameters is analysed, such as the wasted energy, the fuel consumption and the role of the wind turbine subsystem in the global production. This analysis shows that all the energies which take part in the system operation are more dependent on the wind turbine size than on the battery storage capacity. A storage of 2 or 3 days is sufficient, because an increase in storage beyond these values does not have a notable impact on the performance of the wind hybrid system. Finally, a cost study is performed to determine the optimal configuration of the system conducive to the lowest cost of electricity production.

  3. Hybrid Computational Simulation and Study of Terahertz Pulsed Photoconductive Antennas

    Science.gov (United States)

    Emadi, R.; Barani, N.; Safian, R.; Nezhad, A. Zeidaabadi

    2016-11-01

    A photoconductive antenna (PCA) has been numerically investigated in the terahertz (THz) frequency band based on a hybrid simulation method. This hybrid method utilizes an optoelectronic solver, Silvaco TCAD, and a full-wave electromagnetic solver, CST. The optoelectronic solver is used to find the accurate THz photocurrent by considering realistic material parameters. Performance of photoconductive antennas and temporal behavior of the excited photocurrent for various active region geometries such as bare-gap electrode, interdigitated electrodes, and tip-to-tip rectangular electrodes are investigated. Moreover, investigations have been done on the center of the laser illumination on the substrate, substrate carrier lifetime, and diffusion photocurrent associated with the carriers temperature, to achieve efficient and accurate photocurrent. Finally, using the full-wave electromagnetic solver and the calculated photocurrent obtained from the optoelectronic solver, electromagnetic radiation of the antenna and its associated detected THz signal are calculated and compared with a measurement reference for verification.

  4. A hybrid algorithm for parallel molecular dynamics simulations

    CERN Document Server

    Mangiardi, Chris M

    2016-01-01

    This article describes an algorithm for hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-ranged forces. The parallelization method combines domain decomposition with a thread-based parallelization approach. The goal of the work is to enable efficient simulations of very large (tens of millions of atoms) and inhomogeneous systems on many-core processors with hundreds or thousands of cores and SIMD units with large vector sizes. In order to test the efficiency of the method, simulations of a variety of configurations with up to 74 million atoms have been performed. Results are shown that were obtained on multi-core systems with AVX and AVX-2 processors as well as Xeon-Phi co-processors.

  5. A hybrid algorithm for parallel molecular dynamics simulations

    Science.gov (United States)

    Mangiardi, Chris M.; Meyer, R.

    2017-10-01

    This article describes algorithms for the hybrid parallelization and SIMD vectorization of molecular dynamics simulations with short-range forces. The parallelization method combines domain decomposition with a thread-based parallelization approach. The goal of the work is to enable efficient simulations of very large (tens of millions of atoms) and inhomogeneous systems on many-core processors with hundreds or thousands of cores and SIMD units with large vector sizes. In order to test the efficiency of the method, simulations of a variety of configurations with up to 74 million atoms have been performed. Results are shown that were obtained on multi-core systems with Sandy Bridge and Haswell processors as well as systems with Xeon Phi many-core processors.

  6. Extension of the low diffusion particle method for near-continuum two-phase flow simulations

    Institute of Scientific and Technical Information of China (English)

    Su Wei; He Xiaoying; Cai Guobiao

    2013-01-01

    The low diffusion (LD) particle method,proposed by Burt and Boyd,is modified for the near-continuum two-phase flow simulations.The LD method has the advantages of easily coupling with the direct simulation Monte Carlo (DSMC) method for multi-scale flow simulations and dramatically reducing the numerical diffusion error and statistical scatter of the equilibrium particle methods.Liquid-or solid-phase particles are introduced in the LD method.Their velocity and temperature updating are respectively,calculated from the motion equation and the temperature equation according to the local gas properties.Coupling effects from condensed phase to gas phase are modeled as momentum and energy sources,which are respectively,equal to the negative values of the total momentum and energy increase in liquid or solid phase.The modified method is compared with theoretical results for unsteady flows,and good agreements are obtained to indicate the reliability of the one-way gas-to-particle coupling models.Hybrid LD-DSMC algorithm is implemented and performed for nozzle discharging gas-liquid flow to show the prospect of the LDDSMC scheme for multi-scale two-phase flow simulations.

  7. Particle Transport Simulation on Heterogeneous Hardware

    CERN Document Server

    CERN. Geneva

    2014-01-01

    CPUs and GPGPUs. About the speaker Vladimir Koylazov is CTO and founder of Chaos Software and one of the original developers of the V-Ray raytracing software. Passionate about 3D graphics and programming, Vlado is the driving force behind Chaos Group's software solutions. He participated in the implementation of algorithms for accurate light simulations and support for different hardware platforms, including CPU and GPGPU, as well as distributed calculat...

  8. Particle-based simulations of self-motile suspensions

    Science.gov (United States)

    Hinz, Denis F.; Panchenko, Alexander; Kim, Tae-Yeon; Fried, Eliot

    2015-11-01

    A simple model for simulating flows of active suspensions is investigated. The approach is based on dissipative particle dynamics. While the model is potentially applicable to a wide range of self-propelled particle systems, the specific class of self-motile bacterial suspensions is considered as a modeling scenario. To mimic the rod-like geometry of a bacterium, two dissipative particle dynamics particles are connected by a stiff harmonic spring to form an aggregate dissipative particle dynamics molecule. Bacterial motility is modeled through a constant self-propulsion force applied along the axis of each such aggregate molecule. The model accounts for hydrodynamic interactions between self-propelled agents through the pairwise dissipative interactions conventional to dissipative particle dynamics. Numerical simulations are performed using a customized version of the open-source software package LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) software package. Detailed studies of the influence of agent concentration, pairwise dissipative interactions, and Stokes friction on the statistics of the system are provided. The simulations are used to explore the influence of hydrodynamic interactions in active suspensions. For high agent concentrations in combination with dominating pairwise dissipative forces, strongly correlated motion patterns and a fluid-like spectral distributions of kinetic energy are found. In contrast, systems dominated by Stokes friction exhibit weaker spatial correlations of the velocity field. These results indicate that hydrodynamic interactions may play an important role in the formation of spatially extended structures in active suspensions.

  9. Mechanism of Methylene Blue adsorption on hybrid laponite-multi-walled carbon nanotube particles.

    Science.gov (United States)

    Manilo, Maryna; Lebovka, Nikolai; Barany, Sandor

    2016-04-01

    The kinetics of adsorption and parameters of equilibrium adsorption of Methylene Blue (MB) on hybrid laponite-multi-walled carbon nanotube (NT) particles in aqueous suspensions were determined. The laponite platelets were used in order to facilitate disaggregation of NTs in aqueous suspensions and enhance the adsorption capacity of hybrid particles for MB. Experiments were performed at room temperature (298 K), and the laponite/NT ratio (Xl) was varied in the range of 0-0.5. For elucidation of the mechanism of MB adsorption on hybrid particles, the electrical conductivity of the system as well as the electrokinetic potential of laponite-NT hybrid particles were measured. Three different stages in the kinetics of adsorption of MB on the surface of NTs or hybrid laponite-NT particles were discovered to be a fast initial stage I (adsorption time t=0-10 min), a slower intermediate stage II (up to t=120 min) and a long-lasting final stage III (up to t=24hr). The presence of these stages was explained accounting for different types of interactions between MB and adsorbent particles, as well as for the changes in the structure of aggregates of NT particles and the long-range processes of restructuring of laponite platelets on the surface of NTs. The analysis of experimental data on specific surface area versus the value of Xl evidenced in favor of the model with linear contacts between rigid laponite platelets and NTs. It was also concluded that electrostatic interactions control the first stage of adsorption at low MB concentrations.

  10. A hybrid classical-quantum approach for ultra-scaled confined nanostructures : modeling and simulation*

    Directory of Open Access Journals (Sweden)

    Pietra Paola

    2012-04-01

    Full Text Available We propose a hybrid classical-quantum model to study the motion of electrons in ultra-scaled confined nanostructures. The transport of charged particles, considered as one dimensional, is described by a quantum effective mass model in the active zone coupled directly to a drift-diffusion problem in the rest of the device. We explain how this hybrid model takes into account the peculiarities due to the strong confinement and we present numerical simulations for a simplified carbon nanotube. Nous proposons un modèle hybride classique-quantique pour décrire le mouvement des électrons dans des nanostructures très fortement confinées. Le transport des particules, consideré unidimensionel, est décrit par un modèle quantique avec masse effective dans la zone active couplé à un problème de dérive-diffusion dans le reste du domaine. Nous expliquons comment ce modèle hybride prend en compte les spécificités de ce très fort confinement et nous présentons des résultats numériques pour un nanotube de carbone simplifié.

  11. Accelerating Dissipative Particle Dynamics Simulations on GPUs: Algorithms, Numerics and Applications

    CERN Document Server

    Tang, Yu-Hang

    2013-01-01

    We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists in parallel, while the construction is deterministic and makes no use of atomic operations or sorting. Such neighbor list leads to optimal data loading efficiency when combined with a two-level particle reordering scheme. A faster in situ generation scheme for Gaussian random numbers is proposed using precomputed binary signatures. We designed custom transcendental functions that are fast and accurate for evaluating the pairwise interaction. The correctness and accuracy of the code is verified through a set of test cases ...

  12. Parameter estimation for chaotic systems using a hybrid adaptive cuckoo search with simulated annealing algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Sheng, Zheng, E-mail: 19994035@sina.com [College of Meteorology and Oceanography, PLA University of Science and Technology, Nanjing 211101 (China); Wang, Jun; Zhou, Bihua [National Defense Key Laboratory on Lightning Protection and Electromagnetic Camouflage, PLA University of Science and Technology, Nanjing 210007 (China); Zhou, Shudao [College of Meteorology and Oceanography, PLA University of Science and Technology, Nanjing 211101 (China); Collaborative Innovation Center on Forecast and Evaluation of Meteorological Disasters, Nanjing University of Information Science and Technology, Nanjing 210044 (China)

    2014-03-15

    This paper introduces a novel hybrid optimization algorithm to establish the parameters of chaotic systems. In order to deal with the weaknesses of the traditional cuckoo search algorithm, the proposed adaptive cuckoo search with simulated annealing algorithm is presented, which incorporates the adaptive parameters adjusting operation and the simulated annealing operation in the cuckoo search algorithm. Normally, the parameters of the cuckoo search algorithm are kept constant that may result in decreasing the efficiency of the algorithm. For the purpose of balancing and enhancing the accuracy and convergence rate of the cuckoo search algorithm, the adaptive operation is presented to tune the parameters properly. Besides, the local search capability of cuckoo search algorithm is relatively weak that may decrease the quality of optimization. So the simulated annealing operation is merged into the cuckoo search algorithm to enhance the local search ability and improve the accuracy and reliability of the results. The functionality of the proposed hybrid algorithm is investigated through the Lorenz chaotic system under the noiseless and noise condition, respectively. The numerical results demonstrate that the method can estimate parameters efficiently and accurately in the noiseless and noise condition. Finally, the results are compared with the traditional cuckoo search algorithm, genetic algorithm, and particle swarm optimization algorithm. Simulation results demonstrate the effectiveness and superior performance of the proposed algorithm.

  13. Parameter estimation for chaotic systems using a hybrid adaptive cuckoo search with simulated annealing algorithm

    Science.gov (United States)

    Sheng, Zheng; Wang, Jun; Zhou, Shudao; Zhou, Bihua

    2014-03-01

    This paper introduces a novel hybrid optimization algorithm to establish the parameters of chaotic systems. In order to deal with the weaknesses of the traditional cuckoo search algorithm, the proposed adaptive cuckoo search with simulated annealing algorithm is presented, which incorporates the adaptive parameters adjusting operation and the simulated annealing operation in the cuckoo search algorithm. Normally, the parameters of the cuckoo search algorithm are kept constant that may result in decreasing the efficiency of the algorithm. For the purpose of balancing and enhancing the accuracy and convergence rate of the cuckoo search algorithm, the adaptive operation is presented to tune the parameters properly. Besides, the local search capability of cuckoo search algorithm is relatively weak that may decrease the quality of optimization. So the simulated annealing operation is merged into the cuckoo search algorithm to enhance the local search ability and improve the accuracy and reliability of the results. The functionality of the proposed hybrid algorithm is investigated through the Lorenz chaotic system under the noiseless and noise condition, respectively. The numerical results demonstrate that the method can estimate parameters efficiently and accurately in the noiseless and noise condition. Finally, the results are compared with the traditional cuckoo search algorithm, genetic algorithm, and particle swarm optimization algorithm. Simulation results demonstrate the effectiveness and superior performance of the proposed algorithm.

  14. Simulation of the interaction between Alfven waves and fast particles

    Energy Technology Data Exchange (ETDEWEB)

    Feher, Tamas Bela

    2014-02-18

    There is a wide variety of Alfven waves in tokamak and stellarator plasmas. While most of them are damped, some of the global eigenmodes can be driven unstable when they interact with energetic particles. By coupling the MHD code CKA with the gyrokinetic code EUTERPE, a hybrid kinetic-MHD model is created to describe this wave-particle interaction in stellarator geometry. In this thesis, the CKA-EUTERPE code package is presented. This numerical tool can be used for linear perturbative stability analysis of Alfven waves in the presence of energetic particles. The equations for the hybrid model are based on the gyrokinetic equations. The fast particles are described with linearized gyrokinetic equations. The reduced MHD equations are derived by taking velocity moments of the gyrokinetic equations. An equation for describing the Alfven waves is derived by combining the reduced MHD equations. The Alfven wave equation can retain kinetic corrections. Considering the energy transfer between the particles and the waves, the stability of the waves can be calculated. Numerically, the Alfven waves are calculated using the CKA code. The equations are solved as an eigenvalue problem to determine the frequency spectrum and the mode structure of the waves. The results of the MHD model are in good agreement with other sophisticated MHD codes. CKA results are shown for a JET and a W7-AS example. The linear version of the EUTERPE code is used to study the motion of energetic particles in the wavefield with fixed spatial structure, and harmonic oscillations in time. In EUTERPE, the gyrokinetic equations are discretized with a PIC scheme using the delta-f method, and both full orbit width and finite Larmor radius effects are included. The code is modified to be able to use the wavefield calculated externally by CKA. Different slowing-down distribution functions are also implemented. The work done by the electric field on the particles is measured to calculate the energy transfer

  15. Utilization of MATLAB in Simulation of Linear Hybrid Circuits

    Directory of Open Access Journals (Sweden)

    L. Brancik

    2003-12-01

    Full Text Available In the paper a MATLAB-based method for simulating transientphenomena in linear hybrid circuits containing parts with both lumpedand distributed parameters is presented. Distributed parts of thecircuit are multiconductor transmission lines, which can generally benonuniform, with frequency-dependent parameters, and under nonzeroinitial voltage and/or current distributions. In principle a solutionis formulated using the modified nodal analysis method in the frequencydomain. Subsequently an improved fast method of the numerical inversionof Laplace transforms in the vector or matrix form is applied to obtainsolution in the time domain.

  16. Hybrid multiscale simulation of a mixing-controlled reaction

    Energy Technology Data Exchange (ETDEWEB)

    Scheibe, Timothy D.; Schuchardt, Karen L.; Agarwal, Khushbu; Chase, Jared M.; Yang, Xiaofan; Palmer, Bruce J.; Tartakovsky, Alexandre M.; Elsethagen, Todd O.; Redden, George D.

    2015-09-01

    Continuum-scale models have been used to study subsurface flow, transport, and reactions for many years but lack the capability to resolve fine-grained processes. Recently, pore-scale models, which operate at scales of individual soil grains, have been developed to more accurately model and study pore-scale phenomena, such as mineral precipitation and dissolution reactions, microbially-mediated surface reactions, and other complex processes. However, these highly-resolved models are prohibitively expensive for modeling domains of sizes relevant to practical problems. To broaden the utility of pore-scale models for larger domains, we developed a hybrid multiscale model that initially simulates the full domain at the continuum scale and applies a pore-scale model only to areas of high reactivity. Since the location and number of pore-scale model regions in the model varies as the reactions proceed, an adaptive script defines the number and location of pore regions within each continuum iteration and initializes pore-scale simulations from macroscale information. Another script communicates information from the pore-scale simulation results back to the continuum scale. These components provide loose coupling between the pore- and continuum-scale codes into a single hybrid multiscale model implemented within the SWIFT workflow environment. In this paper, we consider an irreversible homogenous bimolecular reaction (two solutes reacting to form a third solute) in a 2D test problem. This paper is focused on the approach used for multiscale coupling between pore- and continuum-scale models, application to a realistic test problem, and implications of the results for predictive simulation of mixing-controlled reactions in porous media. Our results and analysis demonstrate that loose coupling provides a feasible, efficient and scalable approach for multiscale subsurface simulations.

  17. An improved sink particle algorithm for SPH simulations

    OpenAIRE

    Hubber, D. A.; Walch, S.; Whitworth, A. P.

    2013-01-01

    Numerical simulations of star formation frequently rely on the implementation of sink particles, (a) to avoid expending computational resource on the detailed internal physics of individual collapsing protostars, (b) to derive mass functions, binary statistics and clustering kinematics (and hence to make comparisons with observation), and (c) to model radiative and mechanical feedback; sink particles are also used in other contexts, for example to represent accreting black holes in galactic n...

  18. Potential application of particle based simulations in reservoir security management

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    In order to model the movement progress in case of risks such as dam collapse and coastal inundation, particle-based simulation methods, including the discrete-element method and smoothed particle hydrodynamics, which have specific advantages in modeling complex three-dimensional environmental fluid and particulate flows, are adopted as an effective way to illustrate environmental applications possibly happening in the real world. The theory of these methods and their relative advantages compared with tradi...

  19. Moment Preserving Adaptive Particle Weighting Scheme for PIC Simulations

    Science.gov (United States)

    2012-07-01

    Analytical Solution for Density, n(x, t) Crank-Nicolson Particle Simulations C-N is Stable and Non -Dissipative for Re(λ)=0 φ x av T E = T+φ = const. JEAN...Reproduces 3-4 Orders of Magnitude Random Merge -> Thermalization 3000 First Point, 1500 First Cross Bi- Maxwellian Specifically Difficult Octree Merge...3000 First Point, 1500 First Cross Bi- Maxwellian Specifically Difficult Octree Merge Significantly Better Merge & Split Adapts Particle Count Despite

  20. Flow simulations using particles - Bridging Computer Graphics and CFD

    OpenAIRE

    Koumoutsakos, Petros; Cottet, Georges-Henri; Rossinelli, Diego

    2008-01-01

    International audience; The simulation of fluid flows using particles is becoming increasingly popular in Computer Graphics (CG). The grid-free character of particles, the flexibility in handling complex flow configurations and the possibility to obtain visually realistic results with a small number of computational elements are some of the main reasons for the success of these methods. In the Computational Fluid Dynamics (CFD) community, the realization that by periodically regularizing the ...

  1. Carburizer particle dissolution in liquid cast iron – computer simulation

    Directory of Open Access Journals (Sweden)

    D. Bartocha

    2010-01-01

    Full Text Available In the paper issue of dissolution of carburizing materials (anthracite, petroleum coke and graphite particle in liquid metal and its computer simulation are presented. Relative movement rate of particle and liquid metal and thermophsical properties of carburizing materials (thermal conductivity coefficient, specific heat, thermal diffusivity, density are taken into consideration in calculations. Calculations have been carried out in aspect of metal bath carburization in metallurgical furnaces.

  2. Target Lagrangian kinematic simulation for particle-laden flows

    Science.gov (United States)

    Murray, S.; Lightstone, M. F.; Tullis, S.

    2016-09-01

    The target Lagrangian kinematic simulation method was motivated as a stochastic Lagrangian particle model that better synthesizes turbulence structure, relative to stochastic separated flow models. By this method, the trajectories of particles are constructed according to synthetic turbulent-like fields, which conform to a target Lagrangian integral timescale. In addition to recovering the expected Lagrangian properties of fluid tracers, this method is shown to reproduce the crossing trajectories and continuity effects, in agreement with an experimental benchmark.

  3. A larval dispersion study using lagrangian simulation of particles

    Directory of Open Access Journals (Sweden)

    Laura Rodríguez Díaz

    2014-06-01

    Full Text Available The continuous displacement of water allows stabilize the temperature and also distributes nutrients and plankton in the ocean and seas permitting the development of organisms and the transfers of larvae from the spawning areas to the habitat where adult fishes can be found. The area of study covers The North Atlantic Ocean so the principal aim of the study is analyze if released particles at the Florida Strait could cross the North Atlantic Ocean and reach the European shelf. To test this, it has simulated Lagrangian trajectories for different numbers of particles or "larvae" with a passive behavior (fixing at a depth of dispersion. It has analyzed the dispersion of those particles by using the data of the components U, V and W from the speed of currents provided by the database SODA which uses an ocean model based on Geophysical Fluid Dynamics Laboratory MOM2 and data profiles from World Ocean Atlas-94 and from Geosat, ERS-1 and TOPEX/Poseidon satellites. Considering the dispersive nature of the ocean, the simulations were performed by releasing many particles (typically of the order of several thousand and it was also necessary to perform an interpolation process in time and space so that the position of the particles could evolve. The simulations have been run with 5,000 particles and it has been considered a biological parameter (planktonic larval duration, PLD that represents the length of larval life. At this study it has been used PLD for a specific starfish larva (Sclerasterias tanneri larvae that can be found at the Gulf of Mexico at different locations. Particles were released in October at the most oceanward location of the Gulf of Mexico close to the Florida Strait where Sclerasterias tanneri larvae can be found. Those particles have been tracked for 660 days (660 days is the PLD of Sclerasterias tanneri larvae recording their position every 15 days. That it has done for a period of more than 100 years (1901-2010. The period (1901

  4. Sizing and Simulation of PV-Wind Hybrid Power System

    Directory of Open Access Journals (Sweden)

    Mustafa Engin

    2013-01-01

    Full Text Available A sizing procedure is developed for hybrid system with the aid of mathematical models for photovoltaic cell, wind turbine, and battery that are readily present in the literature. This sizing procedure can simulate the annual performance of different kinds of photovoltaic-wind hybrid power system structures for an identified set of renewable resources, which fulfills technical limitations with the lowest energy cost. The output of the program will display the performance of the system during the year, the total cost of the system, and the best size for the PV-generator, wind generator, and battery capacity. Security lightning application is selected, whereas system performance data and environmental operating conditions are measured and stored. This hybrid system, which includes a PV, wind turbine, inverter, and a battery, was installed to supply energy to 24 W lamps, considering that the renewable energy resources of this site where the system was installed were 1700 Wh/m2/day solar radiation and 3.43 m/s yearly average wind speed. Using the measured variables, the inverter and charge regulator efficiencies were calculated as 90% and 98%, respectively, and the overall system’s electrical efficiency is calculated as 72%. Life cycle costs per kWh are found to be $0.89 and LLP = 0.0428.

  5. Simulation of hydrodynamically interacting particles confined by a spherical cavity

    Science.gov (United States)

    Aponte-Rivera, Christian; Zia, Roseanna N.

    2016-06-01

    from the forced particle. Surprisingly, however, there is a separation beyond which entrainment changes sign. For some configurations, the passive particle is dragged along with the forced particle, and at others, it is driven in the opposite direction, consistent with observations of recirculating flow and reverse particle migration in eukaryotic cells. The mobility functions presented here can be utilized to model the motion of any number of enclosed particles, making them ideal for use in dynamic simulation.

  6. An Unscented Kalman-Particle Hybrid Filter for Space Object Tracking

    Science.gov (United States)

    Raihan A. V, Dilshad; Chakravorty, Suman

    2017-04-01

    Optimal and consistent estimation of the state of space objects is pivotal to surveillance and tracking applications. However, probabilistic estimation of space objects is made difficult by the non-Gaussianity and nonlinearity associated with orbital mechanics. In this paper, we present an unscented Kalman-particle hybrid filtering framework for recursive Bayesian estimation of space objects. The hybrid filtering scheme is designed to provide accurate and consistent estimates when measurements are sparse without incurring a large computational cost. It employs an unscented Kalman filter (UKF) for estimation when measurements are available. When the target is outside the field of view (FOV) of the sensor, it updates the state probability density function (PDF) via a sequential Monte Carlo method. The hybrid filter addresses the problem of particle depletion through a suitably designed filter transition scheme. To assess the performance of the hybrid filtering approach, we consider two test cases of space objects that are assumed to undergo full three dimensional orbital motion under the effects of J 2 and atmospheric drag perturbations. It is demonstrated that the hybrid filters can furnish fast, accurate and consistent estimates outperforming standard UKF and particle filter (PF) implementations.

  7. Numerical simulation of flow fields and particle trajectories

    DEFF Research Database (Denmark)

    Mayer, Stefan

    2000-01-01

    A model describing the ciliary driven flow and motion of suspended particles in downstream suspension feeders is developed. The quasi-steady Stokes equations for creeping flow are solved numerically in an unbounded fluid domain around cylindrical bodies using a boundary integral formulation...... region close to the driving ciliary bands and a steady region covering the remaining fluid domain. The size of the unsteady region appears to be comparable to the metachronal wavelength of the ciliary band. A systematic investigation is performed of trajectories of infinitely small (fluid) particles...... in the simulated unsteady ciliary driven flow. A fraction of particles appear to follow trajectories, that resemble experimentally observed particle capture events in the downstream feeding system of the polycheate Sabella penicillus, indicating that particles can be captured by ciliary systems without mechanical...

  8. Characteristic particle methods for traffic flow simulations on highway networks

    CERN Document Server

    Farjoun, Yossi

    2012-01-01

    A characteristic particle method for the simulation of first order macroscopic traffic models on road networks is presented. The approach is based on the method "particleclaw", which solves scalar one dimensional hyperbolic conservations laws exactly, except for a small error right around shocks. The method is generalized to nonlinear network flows, where particle approximations on the edges are suitably coupled together at the network nodes. It is demonstrated in numerical examples that the resulting particle method can approximate traffic jams accurately, while only devoting a few degrees of freedom to each edge of the network.

  9. Hybrid particle swarm optimization for multiobjective resource allocation

    Institute of Scientific and Technical Information of China (English)

    Yi Yang; Li Xiaoxing; Gu Chunqin

    2008-01-01

    Resource allocation (RA) is the problem of allocating resources among various artifacts or business units to meet one or more expected goals,such as maximizing the profits,minimizing the costs,or achieving the best qualities.A complex multiobjective RA is addressed,and a multiobjective mathematical model is used to find solutions efficiently.Then,an improved particle swarm algorithm (mO_PSO) is proposed combined with a new particle diversity controller policies and dissipation operation.Meanwhile,a modified Pareto methods used in PSO to deal with multiobjectives optimization is presented.The effectiveness of the provided algorithm is validated by its application to some illustrative example dealing with multiobjective RA problems and with the comparative experiment with other algorithm.

  10. Continuity waves in fully resolved simulations of settling particles

    Science.gov (United States)

    Willen, Daniel; Sierakowski, Adam; Prosperetti, Andrea

    2016-11-01

    Fully resolved simulations of 500 to 2,000 particles settling in a fluid have been conducted with the Physalis method. A new approach to the reconstruction of pseudo-continuum fields is described and is used to examine the results with the purpose of identifying concentration waves. The velocity of concentration waves is successfully deduced from the simulations. A comparison of the results with continuity wave theory shows good agreement. Several new insights about the particle microstructure conditionally averaged on volume fraction and velocity are also described. This work is supported by NSF award CBET1335965.

  11. Multigrid Particle-in-cell Simulations of Plasma Microturbulence

    Energy Technology Data Exchange (ETDEWEB)

    J.L.V. Lewandowski

    2003-06-17

    A new scheme to accurately retain kinetic electron effects in particle-in-cell (PIC) simulations for the case of electrostatic drift waves is presented. The splitting scheme, which is based on exact separation between adiabatic and on adiabatic electron responses, is shown to yield more accurate linear growth rates than the standard df scheme. The linear and nonlinear elliptic problems that arise in the splitting scheme are solved using a multi-grid solver. The multi-grid particle-in-cell approach offers an attractive path, both from the physics and numerical points of view, to simulate kinetic electron dynamics in global toroidal plasmas.

  12. Alignment of magnetic uniaxial particles in a magnetic field: Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Golovnia, O.A., E-mail: golovnya@imp.uran.ru [Institute of Metal Physics, Str. S. Kovalevskoy, 18, 620990 Ekaterinburg (Russian Federation); Popov, A.G [Institute of Metal Physics, Str. S. Kovalevskoy, 18, 620990 Ekaterinburg (Russian Federation); Sobolev, A.N. [South Ural State University (National Research University), av. Lenina, 76, 454080 Chelyabinsk (Russian Federation); Hadjipanayis, G.C. [Department of Physics and Astronomy, University of Delaware, 217 Sharp Lab, Newark, DE 19716 (United States)

    2014-09-01

    The numerical investigations of the process of alignment of magnetically uniaxial Nd–Fe–B powders in an applied magnetic field were carried out using the discrete element method (DEM). It is shown that magnetic alignment of ensemble of spherical particles provides extremely high degree of alignment, which is achieved in low magnetic fields. A model of formation of anisotropic particles as a combination of spherical particles is suggested. The influence of the shape anisotropy and friction coefficient on the alignment degree was analyzed. The increase in the friction coefficient leads to a decrease in the alignment degree; the simulation results are in qualitative agreement with experimental dependences. It is shown that in magnetic fields higher than 5 T, the calculated field dependences of the alignment degree quantitatively render the experimental data. The increase of about 6% in the alignment degree in the experiments with addition of internal lubricant can be explained by the decrease of 14% in friction coefficient. - Highlights: • We simulate the magnetic alignment of ensemble of Nd–Fe–B spherical uniaxial particles. • Anisotropic particles as a combination of spherical particles are constructed. • Influence of the particle shape anisotropy and friction on the alignment is analyzed. • We compare calculated and experimental data on field dependence of magnetic alignment. • The results render the experimental dependence.

  13. Simulated electron holography of PSD particles

    Science.gov (United States)

    Conbhuí, Pádraig Ó.; Williams, Wyn; Nagy, Les

    2016-04-01

    Electron holography is an experimental technique that is capable of observing magnetic microstructures on the same scale as can be determined using numerical modeling and thus bridge the gap between experimental measurements and theory. I will present a technique for simulating holographic images from the results of micromagnetic models and demonstrate an easily used tool for generating holograms on the fly in an interactive environment (ie in ParaView). Since holography flattens 3D information onto a 2D image, some useful information can be lost. By looking at some examples of holograms of interesting 3D magnetizations (ie PSD structures), particularly how they change as they're rotated, along with comparisons of different structures, I will examine what information can be retrieved and what might be lost. The existance of an external dipole can be indicative of an in-plane component of a seemingly out-of-plane vortex core. It is also seen, however, that two quite different structures (in this case a [111] vortex core and a [111] uniform magnetization) can sometimes be quite indistinguishable.

  14. Hybrid molecular dynamics simulation for plasma induced damage analysis

    Science.gov (United States)

    Matsukuma, Masaaki

    2016-09-01

    In order to enable further device size reduction (also known as Moore's law) and improved power performance, the semiconductor industry is introducing new materials and device structures into the semiconductor fabrication process. Materials now include III-V compounds, germanium, cobalt, ruthenium, hafnium, and others. The device structure in both memory and logic has been evolving from planar to three dimensional (3D). One such device is the FinFET, where the transistor gate is a vertical fin made either of silicon, silicon-germanium or germanium. These changes have brought renewed interests in the structural damages caused by energetic ion bombardment of the fin sidewalls which are exposed to the ion flux from the plasma during the fin-strip off step. Better control of the physical damage of the 3D devices requires a better understanding of the damage formation mechanisms on such new materials and structures. In this study, the damage formation processes by ion bombardment have been simulated for Si and Ge substrate by Quantum Mechanics/Molecular Mechanics (QM/MM) hybrid simulations and compared to the results from the classical molecular dynamics (MD) simulations. In our QM/MM simulations, the highly reactive region in which the structural damage is created is simulated with the Density Functional based Tight Binding (DFTB) method and the region remote from the primary region is simulated using classical MD with the Stillinger-Weber and Moliere potentials. The learn on the fly method is also used to reduce the computational load. Hence our QM/MM simulation is much faster than the full QC-MD simulations and the original QM/MM simulations. The amorphous layers profile simulated with QM/MM have obvious differences in their thickness for silicon and germanium substrate. The profile of damaged structure in the germanium substrate is characterized by a deeper tail then in silicon. These traits are also observed in the results from the mass selected ion beam

  15. Noiseless Vlasov–Poisson simulations with linearly transformed particles

    Energy Technology Data Exchange (ETDEWEB)

    Campos Pinto, Martin, E-mail: campos@ann.jussieu.fr [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); CNRS, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005, Paris (France); UPMC Univ. Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005, Paris (France); Sonnendrücker, Eric, E-mail: sonnen@math.unistra.fr [IRMA, UMR 7501, Université de Strasbourg and CNRS, 7 rue René Descartes, F-67084 Strasbourg Cedex (France); Project-team CALVI, INRIA Nancy Grand Est, 7 rue René Descartes, F-67084 Strasbourg Cedex (France); Friedman, Alex, E-mail: af@llnl.gov [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Grote, David P., E-mail: grote1@llnl.gov [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lund, Steve M., E-mail: smlund@llnl.gov [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)

    2014-10-15

    We introduce a deterministic discrete-particle simulation approach, the Linearly-Transformed Particle-In-Cell (LTPIC) method, that employs linear deformations of the particles to reduce the noise traditionally associated with particle schemes. Formally, transforming the particles is justified by local first order expansions of the characteristic flow in phase space. In practice the method amounts of using deformation matrices within the particle shape functions; these matrices are updated via local evaluations of the forward numerical flow. Because it is necessary to periodically remap the particles on a regular grid to avoid excessively deforming their shapes, the method can be seen as a development of Denavit's Forward Semi-Lagrangian (FSL) scheme (Denavit, 1972 [8]). However, it has recently been established (Campos Pinto, 2012 [20]) that the underlying Linearly-Transformed Particle scheme converges for abstract transport problems, with no need to remap the particles; deforming the particles can thus be seen as a way to significantly lower the remapping frequency needed in the FSL schemes, and hence the associated numerical diffusion. To couple the method with electrostatic field solvers, two specific charge deposition schemes are examined, and their performance compared with that of the standard deposition method. Finally, numerical 1d1v simulations involving benchmark test cases and halo formation in an initially mismatched thermal sheet beam demonstrate some advantages of our LTPIC scheme over the classical PIC and FSL methods. Benchmarked test cases also indicate that, for numerical choices involving similar computational effort, the LTPIC method is capable of accuracy comparable to or exceeding that of state-of-the-art, high-resolution Vlasov schemes.

  16. Preparation and characterization of uniformly sized sub-micrometer spherical silica/organic polymer hybrid particles

    Energy Technology Data Exchange (ETDEWEB)

    Xing, X.-S.; Li, R.K.Y.; Shek, C.-H. [Department of Physics and Materials Science, City University of Hong Kong, Tak Chee Avenue, Kowloon, Hong Kong (China)

    2003-09-01

    Hybrid particles with a core-shell structure, consisting of a silica core and a polyvinyl alcohol (PVA) shell were fabricated via a two-step sol-gel process. The PVA molecular chains are probably physically adsorbed onto the surface of silica cores by hydrogen bonds and van der Waals forces. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

  17. Silica-graphene oxide hybrid composite particles and their electroresponsive characteristics.

    Science.gov (United States)

    Zhang, Wen Ling; Choi, Hyoung Jin

    2012-05-01

    Silica-graphene oxide (Si-GO) hybrid composite particles were prepared by the hydrolysis of tetraethyl orthosilicate (TEOS) in the presence of hydrophilic GO obtained from a modified Hummers method. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images provided visible evidence of the silica nanoparticles grafted on the surface of GO, resulting in Si-GO hybrid composite particles. Energy dispersive X-ray spectroscopy (EDX) and X-ray diffraction (XRD) spectra indicated the coexistence of silica and GO in the composite particles. The Si-GO hybrid composite particles showed better thermal stability than that of GO according to thermogravimetric analysis (TGA). The electrorheological (ER) characteristics of the Si-GO hybrid composite based ER fluid were examined further by optical microscopy and a rotational rheometer in controlled shear rate mode under various electric field strengths. Shear stress curves were fitted using both conventional Bingham model and a constitutive Cho-Choi-Jhon model. The polarizability and relaxation time of the ER fluid from dielectric spectra measured using an LCR meter showed a good correlation with its ER characteristics.

  18. Hybrid simulation of metal oxide surge-arrester thermal behaviour

    Energy Technology Data Exchange (ETDEWEB)

    Huang, L.; Raghuveer, M.R. [Manitoba Univ., Winnipeg, MB (Canada). Dept. of Electrical and Computer Engineering

    1996-01-01

    A finite-difference-based technique for simulating the thermal behaviour of a metal oxide surge arrester (MOSA) was described. The improved hybrid thermal modelling technique was claimed to accurately represent heat-transfer modes. Fin theory was used to represent arrester sheds. The proposed model, which relies on simple measurements at the arrester terminals, yields the temporal variation of temperature in a MOSA in both the axial and radial direction. The thermal behaviour of a MOSA under steady-state and transient conditions can be simulated using such a model under different environmental conditions. The accuracy of the modelling technique was demonstrated experimentally by measurements conducted on an arrester. 15 refs., 7 figs.

  19. Accelerating dissipative particle dynamics simulations on GPUs: Algorithms, numerics and applications

    Science.gov (United States)

    Tang, Yu-Hang; Karniadakis, George Em

    2014-11-01

    We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists in parallel, while the construction is deterministic and makes no use of atomic operations or sorting. Such neighbor list leads to optimal data loading efficiency when combined with a two-level particle reordering scheme. A faster in situ generation scheme for Gaussian random numbers is proposed using precomputed binary signatures. We designed custom transcendental functions that are fast and accurate for evaluating the pairwise interaction. The correctness and accuracy of the code is verified through a set of test cases simulating Poiseuille flow and spontaneous vesicle formation. Computer benchmarks demonstrate the speedup of our implementation over the CPU implementation as well as strong and weak scalability. A large-scale simulation of spontaneous vesicle formation consisting of 128 million particles was conducted to further illustrate the practicality of our code in real-world applications.

  20. Dissipative Particle Dynamics Simulations at Extreme Scale: GPU Algorithms, Implementation and Applications

    Science.gov (United States)

    Tang, Yu-Hang; Karniadakis, George; Crunch Team

    2014-03-01

    We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists in parallel, while the construction is deterministic and makes no use of atomic operations or sorting. Such neighbor list leads to optimal data loading efficiency when combined with a two-level particle reordering scheme. A faster in situ generation scheme for Gaussian random numbers is proposed using precomputed binary signatures. We designed custom transcendental functions that are fast and accurate for evaluating the pairwise interaction. Computer benchmarks demonstrate the speedup of our implementation over the CPU implementation as well as strong and weak scalability. A large-scale simulation of spontaneous vesicle formation consisting of 128 million particles was conducted to illustrate the practicality of our code in real-world applications. This work was supported by the new Department of Energy Collaboratory on Mathematics for Mesoscopic Modeling of Materials (CM4). Simulations were carried out at the Oak Ridge Leadership Computing Facility through the INCITE program under project BIP017.

  1. Studying the Mechanism of Hybrid Nanoparticle Photoresists: Effect of Particle Size on Photopatterning

    KAUST Repository

    Li, Li

    2015-07-28

    © 2015 American Chemical Society. Hf-based hybrid photoresist materials with three different organic ligands were prepared by a sol-gel-based method, and their patterning mechanism was investigated in detail. All hybrid nanoparticle resists are patternable using UV exposure. Their particle sizes show a dramatic increase from the initial 3-4 nm to submicron size after exposure, with no apparent inorganic content or thermal property change detected. XPS results showed that the mass percentage of the carboxylic group in the structure of nanoparticles decreased with increasing exposure duration. The particle coarsening sensitivities of those hybrid nanoparticles are consistent with their EUV performance. The current work provides an understanding for the development mechanism and future guidance for the design and processing of high performance resist materials for large-scale microelectronics device fabrication.

  2. Strength Pareto particle swarm optimization and hybrid EA-PSO for multi-objective optimization.

    Science.gov (United States)

    Elhossini, Ahmed; Areibi, Shawki; Dony, Robert

    2010-01-01

    This paper proposes an efficient particle swarm optimization (PSO) technique that can handle multi-objective optimization problems. It is based on the strength Pareto approach originally used in evolutionary algorithms (EA). The proposed modified particle swarm algorithm is used to build three hybrid EA-PSO algorithms to solve different multi-objective optimization problems. This algorithm and its hybrid forms are tested using seven benchmarks from the literature and the results are compared to the strength Pareto evolutionary algorithm (SPEA2) and a competitive multi-objective PSO using several metrics. The proposed algorithm shows a slower convergence, compared to the other algorithms, but requires less CPU time. Combining PSO and evolutionary algorithms leads to superior hybrid algorithms that outperform SPEA2, the competitive multi-objective PSO (MO-PSO), and the proposed strength Pareto PSO based on different metrics.

  3. Software development infrastructure for the HYBRID modeling and simulation project

    Energy Technology Data Exchange (ETDEWEB)

    Aaron S. Epiney; Robert A. Kinoshita; Jong Suk Kim; Cristian Rabiti; M. Scott Greenwood

    2016-09-01

    One of the goals of the HYBRID modeling and simulation project is to assess the economic viability of hybrid systems in a market that contains renewable energy sources like wind. The idea is that it is possible for the nuclear plant to sell non-electric energy cushions, which absorb (at least partially) the volatility introduced by the renewable energy sources. This system is currently modeled in the Modelica programming language. To assess the economics of the system, an optimization procedure is trying to find the minimal cost of electricity production. The RAVEN code is used as a driver for the whole problem. It is assumed that at this stage, the HYBRID modeling and simulation framework can be classified as non-safety “research and development” software. The associated quality level is Quality Level 3 software. This imposes low requirements on quality control, testing and documentation. The quality level could change as the application development continues.Despite the low quality requirement level, a workflow for the HYBRID developers has been defined that include a coding standard and some documentation and testing requirements. The repository performs automated unit testing of contributed models. The automated testing is achieved via an open-source python script called BuildingsP from Lawrence Berkeley National Lab. BuildingsPy runs Modelica simulation tests using Dymola in an automated manner and generates and runs unit tests from Modelica scripts written by developers. In order to assure effective communication between the different national laboratories a biweekly videoconference has been set-up, where developers can report their progress and issues. In addition, periodic face-face meetings are organized intended to discuss high-level strategy decisions with management. A second means of communication is the developer email list. This is a list to which everybody can send emails that will be received by the collective of the developers and managers

  4. Mitigating Particle Integration Error in Relativistic Laser-Plasma Simulations

    Science.gov (United States)

    Higuera, Adam; Weichmann, Kathleen; Cowan, Benjamin; Cary, John

    2016-10-01

    In particle-in-cell simulations of laser wakefield accelerators with a0 greater than unity, errors in particle trajectories produce incorrect beam charges and energies, predicting performance not realized in experiments such as the Texas Petawatt Laser. In order to avoid these errors, the simulation time step must resolve a time scale smaller than the laser period by a factor of a0. If the Yee scheme advances the fields with this time step, the laser wavelength must be over-resolved by a factor of a0 to avoid dispersion errors. Here is presented and demonstrated with Vorpal simulations, a new electromagnetic algorithm, building on previous work, correcting Yee dispersion for arbitrary sub-CFL time steps, reducing simulation times by a0.

  5. SOLAR WIND TURBULENCE FROM MHD TO SUB-ION SCALES: HIGH-RESOLUTION HYBRID SIMULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Franci, Luca; Verdini, Andrea; Landi, Simone [Dipartimento di Fisica e Astronomia, Università di Firenze, Largo E. Fermi 2, I-50125 Firenze (Italy); Matteini, Lorenzo [Department of Physics, Imperial College London, London SW7 2AZ (United Kingdom); Hellinger, Petr [Astronomical Institute, AS CR, Bocni II/1401, CZ-14100 Prague (Czech Republic)

    2015-05-10

    We present results from a high-resolution and large-scale hybrid (fluid electrons and particle-in-cell protons) two-dimensional numerical simulation of decaying turbulence. Two distinct spectral regions (separated by a smooth break at proton scales) develop with clear power-law scaling, each one occupying about a decade in wavenumbers. The simulation results simultaneously exhibit several properties of the observed solar wind fluctuations: spectral indices of the magnetic, kinetic, and residual energy spectra in the magnetohydrodynamic (MHD) inertial range along with a flattening of the electric field spectrum, an increase in magnetic compressibility, and a strong coupling of the cascade with the density and the parallel component of the magnetic fluctuations at sub-proton scales. Our findings support the interpretation that in the solar wind, large-scale MHD fluctuations naturally evolve beyond proton scales into a turbulent regime that is governed by the generalized Ohm’s law.

  6. Dendrimer-like hybrid particles with tunable hierarchical pores

    Science.gov (United States)

    Du, Xin; Li, Xiaoyu; Huang, Hongwei; He, Junhui; Zhang, Xueji

    2015-03-01

    Dendrimer-like silica particles with a center-radial dendritic framework and a synergistic hierarchical porosity have attracted much attention due to their unique open three-dimensional superstructures with high accessibility to the internal surface areas; however, the delicate regulation of the hierarchical porosity has been difficult to achieve up to now. Herein, a series of dendrimer-like amino-functionalized silica particles with tunable hierarchical pores (HPSNs-NH2) were successfully fabricated by carefully regulating and optimizing the various experimental parameters in the ethyl ether emulsion systems via a one-pot sol-gel reaction. Interestingly, the simple adjustment of the stirring rate or reaction temperature was found to be an easy and effective route to achieve the controllable regulation towards center-radial large pore sizes from ca. 37-267 (148 +/- 45) nm to ca. 8-119 (36 +/- 21) nm for HPSNs-NH2 with particle sizes of 300-700 nm and from ca. 9-157 (52 +/- 28) nm to ca. 8-105 (30 +/- 16) nm for HPSNs-NH2 with particle sizes of 100-320 nm. To the best of our knowledge, this is the first successful regulation towards center-radial large pore sizes in such large ranges. The formation of HPSNs-NH2 may be attributed to the complex cross-coupling of two processes: the dynamic diffusion of ethyl ether molecules and the self-assembly of partially hydrolyzed TEOS species and CTAB molecules at the dynamic ethyl ether-water interface of uniform small quasi-emulsion droplets. Thus, these results regarding the elaborate regulation of center-radial large pores and particle sizes not only help us better understand the complicated self-assembly at the dynamic oil-water interface, but also provide a unique and ideal platform as carriers or supports for adsorption, separation, catalysis, biomedicine, and sensor.Dendrimer-like silica particles with a center-radial dendritic framework and a synergistic hierarchical porosity have attracted much attention due to their

  7. Measuring Landau damping in Particle-in-Cell simulations using particles of different charge-weights

    Science.gov (United States)

    Ren, C.; Sarkar, A.; Cao, Y.-X.; Huang, M. C.; Li, J.

    2016-10-01

    We study whether putting more particles in ``region of interest (ROI)'' in phase space can efficiently increase Particle-in-Cell (PIC) simulation accuracy. We use Landau damping of a plasma wave as a figure of merit and set the ROI near the phase velocity of the wave. Improvement in Landau damping rate measurement is observed in 1D PIC simulations when employing more particles in the ROI but the effect is not monotonic. This is partly due to energy transfer from particles of large charge weights to those of smaller weights through the electric fields. Possible strategies to mitigate the energy transfer will also be discussed. This work is supported by the National Science Foundation under Grant No. PHY-1314734 and by the Department of Energy under Grant No. DE-SC0012316.

  8. Mixing model with multi-particle interactions for Lagrangian simulations of turbulent mixing

    Science.gov (United States)

    Watanabe, T.; Nagata, K.

    2016-08-01

    We report on the numerical study of the mixing volume model (MVM) for molecular diffusion in Lagrangian simulations of turbulent mixing problems. The MVM is based on the multi-particle interaction in a finite volume (mixing volume). A priori test of the MVM, based on the direct numerical simulations of planar jets, is conducted in the turbulent region and the interfacial layer between the turbulent and non-turbulent fluids. The results show that the MVM predicts well the mean effects of the molecular diffusion under various numerical and flow parameters. The number of the mixing particles should be large for predicting a value of the molecular diffusion term positively correlated to the exact value. The size of the mixing volume relative to the Kolmogorov scale η is important in the performance of the MVM. The scalar transfer across the turbulent/non-turbulent interface is well captured by the MVM especially with the small mixing volume. Furthermore, the MVM with multiple mixing particles is tested in the hybrid implicit large-eddy-simulation/Lagrangian-particle-simulation (LES-LPS) of the planar jet with the characteristic length of the mixing volume of O(100η). Despite the large mixing volume, the MVM works well and decays the scalar variance in a rate close to the reference LES. The statistics in the LPS are very robust to the number of the particles used in the simulations and the computational grid size of the LES. Both in the turbulent core region and the intermittent region, the LPS predicts a scalar field well correlated to the LES.

  9. Hybrid composites of monodisperse pi-conjugated rodlike organic compounds and semiconductor quantum particles

    DEFF Research Database (Denmark)

    Hensel, V.; Godt, A.; Popovitz-Biro, R.

    2002-01-01

    Composite materials of quantum particles (Q-particles) arranged in layers within crystalline powders of pi-conjugated, rodlike dicarboxylic acids are reported. The synthesis of the composites, either as three-dimensional crystals or as thin films at the air-water interface, comprises a two...... analysis of the solids and grazing incidence X-ray diffraction analysis of the films on water. 2) Topotactic solid/gas reaction of these salts with H2S to convert the metal ions into Q-particles of CdS or PbS embedded in the organic matrix that consists of the acids 6(H) and 8(H). These hybrid materials...

  10. Statistical learning makes the hybridization of particle swarm and differential evolution more efficient-A novel hybrid optimizer

    Institute of Scientific and Technical Information of China (English)

    CHEN Jie; XIN Bin; PENG ZhiHong; PAN Feng

    2009-01-01

    This brief paper reports a hybrid algorithm we developed recently to solve the global optimization problems of multimodal functions, by combining the advantages of two powerful population-based metaheuristics-differential evolution (DE) and particle swarm optimization (PSO). In the hybrid denoted by DEPSO, each individual in one generation chooses its evolution method, DE or PSO, in a statistical learning way. The choice depends on the relative success ratio of the two methods in a previous learning period. The proposed DEPSO is compared with its PSO and DE parents, two advanced DE variants one of which is suggested by the originators of DE, two advanced PSO variants one of which is acknowledged as a recent standard by PSO community, and also a previous DEPSO. Benchmark tests demonstrate that the DEPSO is more competent for the global optimization of multimodal functions due to its high optimization quality.

  11. Three-dimensional multispecies nonlinear perturbative particle simulations of collective processes in intense particle beams

    Directory of Open Access Journals (Sweden)

    Hong Qin

    2000-08-01

    Full Text Available Collective processes in intense charged particle beams described self-consistently by the Vlasov-Maxwell equations are studied using a 3D multispecies nonlinear perturbative particle simulation method. The newly developed beam equilibrium, stability, and transport (BEST code is used to simulate the nonlinear stability properties of intense beam propagation, surface eigenmodes in a high-intensity beam, and the electron-proton (e-p two-stream instability observed in the Proton Storage Ring (PSR experiment. Detailed simulations in a parameter regime characteristic of the PSR experiment show that the dipole-mode two-stream instability is stabilized by a modest spread (about 0.1% in axial momentum of the beam particles.

  12. Thermalization of Na+ Pickup Ions in Mercury's Magnetosheath and Magnetosphere via Hybrid Simulation

    Science.gov (United States)

    Boardsen, S. A.; Omidi, N.; Slavin, J. A.

    2007-12-01

    In previous studies it has been suggested that the incorporation of Na+ pickup ions into Mercury's magnetosphere could have a significant impact on various magnetospheric processes. Test particle simulations indicate that freshly created Na+ ions are rapidly energized and lost from the system. In order to incorporate these ions into the bulk magnetospheric plasma they must be thermalized. A recent study that used linear theory suggests that the wavelengths of electromagnetic ion cyclotron waves may be to large and may not grow to sufficient amplitudes to thermalize these ions and concluded that global thermalization of these ions is not possible. However, under certain solar wind and IMF conditions such thermalization might take place in limited regions of Mercury's magnetosphere, primarily in the sub-solar magnetosheath. Due the small scale size of Mercury's magnetosphere compared to the gyro-radii of these heavy ions and their associated wave modes, hybrid simulation with a kinetic treatment for the ions and a fluid treatment for the electrons may be the only way to study if thermalization of Na+ can occur. Preliminary results of a hybrid simulation that incorporates the Na+ pickup ions in its kinetic treatment will be presented.

  13. An improved sink particle algorithm for SPH simulations

    Science.gov (United States)

    Hubber, D. A.; Walch, S.; Whitworth, A. P.

    2013-04-01

    Numerical simulations of star formation frequently rely on the implementation of sink particles: (a) to avoid expending computational resource on the detailed internal physics of individual collapsing protostars, (b) to derive mass functions, binary statistics and clustering kinematics (and hence to make comparisons with observation), and (c) to model radiative and mechanical feedback; sink particles are also used in other contexts, for example to represent accreting black holes in galactic nuclei. We present a new algorithm for creating and evolving sink particles in smoothed particle hydrodynamic (SPH) simulations, which appears to represent a significant improvement over existing algorithms - particularly in situations where sinks are introduced after the gas has become optically thick to its own cooling radiation and started to heat up by adiabatic compression. (i) It avoids spurious creation of sinks. (ii) It regulates the accretion of matter on to a sink so as to mitigate non-physical perturbations in the vicinity of the sink. (iii) Sinks accrete matter, but the associated angular momentum is transferred back to the surrounding medium. With the new algorithm - and modulo the need to invoke sufficient resolution to capture the physics preceding sink formation - the properties of sinks formed in simulations are essentially independent of the user-defined parameters of sink creation, or the number of SPH particles used.

  14. Comparison of Construction Method for DEM Simulation of Ellipsoidal Particles

    Institute of Scientific and Technical Information of China (English)

    TAO He; ZHONG Wenqi; JIN Baosheng

    2013-01-01

    Discrete element model was developed to simulate the ellipsoidal particles moving in the moving bed.Multi-element model was used to describe a ellipsoidal particle,the contact detection algorithm of ellipsoidal particle was developed,and both contact force and gravity force were considered in the models.The simulation results were validated by our experiment.Three algorithms for representing an ellipsoidal particle were compared in macro and micro aspects.The results show that there exists big difference in the microscopic parameters such as kinetic energy,rotational kinetic energy,deformation,contact force and collision number which leads to the difference of macroscopic parameters.The relative error in the discharge rate and tracer particle position is the largest between 3-tangent-element representation and experimental results.The flow pattern is similar for the 5-element and 3-intersection representations.The only difference is the discharge rate of 5-element representation is larger than the experimental value and that of the 3-intersection representation has the contrary result.Finally the 3-intersectionelement representation is chosen in the simulation due to less computing time than that of the 5-element representation.

  15. DISCRETE PARTICLE SIMULATION OF SIZE SEGREGATION OF PARTICLE MIXTURES IN A GAS FLUIDIZED BED

    Institute of Scientific and Technical Information of China (English)

    Y. Q. Feng; A. B. Yu

    2006-01-01

    This paper presents a study of the mixing/segregation behaviour of particle mixtures in a gas fluidized bed by use of the discrete particle simulation. Spherical particles with diameters 2 mm (jetsam) and 1 mm (flotsam) and density 2 500 kg·m-3 are used as solid mixtures with different volume fractions. The particles are initially packed uniformly in a rectangular bed and then fluidized by gas uniformly injected at the bottom of the bed. The gas injection velocities vary to cover fixed, partially and fully fluidized bed conditions. Segregation/mixing behaviour is discussed in terms of flow patterns, solid concentration profile and mixing kinetics. The results show that segregation, as a transient fluidization process, is strongly affected by gas injection velocities for a given particle mixture. With the increase of the volume fraction of flotsam, size segregation appears at lower velocities.

  16. Hybrid metal organic scintillator materials system and particle detector

    Science.gov (United States)

    Bauer, Christina A.; Allendorf, Mark D.; Doty, F. Patrick; Simmons, Blake A.

    2011-07-26

    We describe the preparation and characterization of two zinc hybrid luminescent structures based on the flexible and emissive linker molecule, trans-(4-R,4'-R') stilbene, where R and R' are mono- or poly-coordinating groups, which retain their luminescence within these solid materials. For example, reaction of trans-4,4'-stilbenedicarboxylic acid and zinc nitrate in the solvent dimethylformamide (DMF) yielded a dense 2-D network featuring zinc in both octahedral and tetrahedral coordination environments connected by trans-stilbene links. Similar reaction in diethylformamide (DEF) at higher temperatures resulted in a porous, 3-D framework structure consisting of two interpenetrating cubic lattices, each featuring basic to zinc carboxylate vertices joined by trans-stilbene, analogous to the isoreticular MOF (IRMOF) series. We demonstrate that the optical properties of both embodiments correlate directly with the local ligand environments observed in the crystal structures. We further demonstrate that these materials produce high luminescent response to proton radiation and high radiation tolerance relative to prior scintillators. These features can be used to create sophisticated scintillating detection sensors.

  17. Measurements and Simulation Studies of Piezoceramics for Acoustic Particle Detection

    CERN Document Server

    Salomon, K; Graf, K; Hoessl, J; Kappes, A; Karg, T; Katz, U; Lahmann, R; Naumann, C

    2005-01-01

    Calibration sources are an indispensable tool for all detectors. In acoustic particle detection the goal of a calibration source is to mimic neutrino signatures as expected from hadronic cascades. A simple and promising method for the emulation of neutrino signals are piezo ceramics. We will present results of measruements and simulations on these piezo ceramics.

  18. SIMULATION AND CHARACTERIZATION OF RANDOM SYSTEMS OF HARD PARTICLES

    Directory of Open Access Journals (Sweden)

    Dietrich Stoyan

    2011-05-01

    Full Text Available This paper surveys methods for the simulation of random systems of hard particles, namely sedimentation and collective rearrangement algorithms, molecular dynamics, and Monte Carlo methods such as the Metropolis­ Hastings algorithm. Furthermore, some set-theoretic statistical characteristics are discussed: the covariance and topological descriptors such as specific connectivity numbers and Meck.e's morphological functions.

  19. An improved sink particle algorithm for SPH simulations

    CERN Document Server

    Hubber, D A; Whitworth, A P

    2013-01-01

    Numerical simulations of star formation frequently rely on the implementation of sink particles, (a) to avoid expending computational resource on the detailed internal physics of individual collapsing protostars, (b) to derive mass functions, binary statistics and clustering kinematics (and hence to make comparisons with observation), and (c) to model radiative and mechanical feedback; sink particles are also used in other contexts, for example to represent accreting black holes in galactic nuclei. We present a new algorithm for creating and evolving sink particles in SPH simulations, which appears to represent a significant improvement over existing algorithms {\\refrpt -- particularly in situations where sinks are introduced after the gas has become optically thick to its own cooling radiation and started to heat up by adiabatic compression}. (i) It avoids spurious creation of sinks. (ii) It regulates the accretion of matter onto a sink so as to mitigate non-physical perturbations in the vicinity of the sink...

  20. Multiscale simulation of ideal mixtures using smoothed dissipative particle dynamics

    Science.gov (United States)

    Petsev, Nikolai D.; Leal, L. Gary; Shell, M. Scott

    2016-02-01

    Smoothed dissipative particle dynamics (SDPD) [P. Español and M. Revenga, Phys. Rev. E 67, 026705 (2003)] is a thermodynamically consistent particle-based continuum hydrodynamics solver that features scale-dependent thermal fluctuations. We obtain a new formulation of this stochastic method for ideal two-component mixtures through a discretization of the advection-diffusion equation with thermal noise in the concentration field. The resulting multicomponent approach is consistent with the interpretation of the SDPD particles as moving volumes of fluid and reproduces the correct fluctuations and diffusion dynamics. Subsequently, we provide a general multiscale multicomponent SDPD framework for simulations of molecularly miscible systems spanning length scales from nanometers to the non-fluctuating continuum limit. This approach reproduces appropriate equilibrium properties and is validated with simulation of simple one-dimensional diffusion across multiple length scales.

  1. Examining of abrasion resistance of hybrid composites reinforced with SiC and Cgr particles

    Directory of Open Access Journals (Sweden)

    M. Łągiewka

    2008-08-01

    Full Text Available The presented work discusses the influence of the type and volume percentage of particulate reinforcement consisting of mixed silicon carbide and graphite on the abrasion wear of hybrid composites with AlMg10 matrix. Also the macro photos of frictional surfaces have been shown and the results of hardness measurements have been presented. The performed examinations have allowed for stating that the mixture of SiC and Cgr particles changes in favour the tribological properties of the matrix alloy. It has been also proved that introducing hard reinforcing particles along with soft lubricating ones allows for achieving the material exhibiting high abrasion resistance, and moreover, the graphite particles protect the abraded surface from the destructive action of silicon carbide particles. Also hardness measurements have been performed and the resulting conclusion is that the composite hardness increases with an increase in volume fraction of the reinforcing particles.

  2. Particle-in-cell Simulations with Kinetic Electrons

    Energy Technology Data Exchange (ETDEWEB)

    J.L.V. Lewandowski

    2004-02-12

    A new scheme, based on an exact separation between adiabatic and nonadiabatic electron responses, for particle-in-cell (PIC) simulations of drift-type modes is presented. The (linear and nonlinear) elliptic equations for the scalar fields are solved using a multi-grid solver. The new scheme yields linear growth rates in excellent agreement with theory and it is shown to conserve energy well into the nonlinear regime. It is also demonstrated that simulations with few electrons are reliable and accurate, suggesting that large-scale, PIC simulations with electron dynamics in toroidal geometry (e.g., tokamaks and stellarators plasmas) are within reach of present-day massively parallel supercomputers.

  3. Hybrid Molecular and Spin Dynamics Simulations for Ensembles of Magnetic Nanoparticles for Magnetoresistive Systems

    Directory of Open Access Journals (Sweden)

    Lisa Teich

    2015-11-01

    Full Text Available The development of magnetoresistive sensors based on magnetic nanoparticles which are immersed in conductive gel matrices requires detailed information about the corresponding magnetoresistive properties in order to obtain optimal sensor sensitivities. Here, crucial parameters are the particle concentration, the viscosity of the gel matrix and the particle structure. Experimentally, it is not possible to obtain detailed information about the magnetic microstructure, i.e., orientations of the magnetic moments of the particles that define the magnetoresistive properties, however, by using numerical simulations one can study the magnetic microstructure theoretically, although this requires performing classical spin dynamics and molecular dynamics simulations simultaneously. Here, we present such an approach which allows us to calculate the orientation and the trajectory of every single magnetic nanoparticle. This enables us to study not only the static magnetic microstructure, but also the dynamics of the structuring process in the gel matrix itself. With our hybrid approach, arbitrary sensor configurations can be investigated and their magnetoresistive properties can be optimized.

  4. Hybrid Kinetic-Fluid Electromagnetic Simulations of Imploding High Energy Density Plasmas for IFE

    Science.gov (United States)

    Welch, Dale; Rose, Dave; Thoma, Carsten; Genoni, Thomas; Bruner, Nichelle; Clark, Robert; Stygar, William; Leeper, Ramon

    2011-10-01

    A new simulation technique is being developed to study high current and moderate density-radius product (ρR) z-pinch plasmas relevant to Inertial Fusion Energy (IFE). Fully kinetic, collisional, and electromagnetic simulations of the time evolution of up to 40-MA current (deuterium and DT) z-pinches, but with relatively low ρR, have yielded new insights into the mechanisms of neutron production. At fusion relevant conditions (ρR > 0.01 gm/cm2) , however, this technique requires a prohibitively large number of cells and particles. A new hybrid implicit technique has been developed that accurately describes high-density and magnetized imploding plasmas. The technique adapts a recently published algorithm, that enables accurate descriptions of highly magnetized particle orbits, to high density plasmas and also makes use of an improved kinetic particle remap technique. We will discuss the new technique, stable range of operation, and application to an IFE relevant z-pinch design at 60 MA. Work supported by Sandia National Laboratories.

  5. Synthesis and properties of hybrid hydroxyapatite-ferrite (Fe3O4) particles for hyperthermia applications

    Science.gov (United States)

    Tkachenko, M. V.; Kamzin, A. S.

    2016-04-01

    Hybrid ceramics consisting of hydroxyapatite Ca10(PO4)6(OH)2 and ferrite Fe3O4 were synthesized using a two-stage procedure. The first stage included the synthesis of Fe3O4 ferrite particles by co-precipitation and the synthesis of hydroxyapatite. In the second stage, the magnetic hybrid hydroxyapatite-ferrite bioceramics were synthesized by a thorough mixing of the obtained powders of carbonated hydroxyapatite and Fe3O4 ferrite taken in a certain proportion, pressing into tablets, and annealing in a carbon dioxide atmosphere for 30 min at a temperature of 1200°C. The properties of the components and hybrid particles were investigated using X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and Mössbauer spectroscopy. The saturation magnetization of the hybrid ceramic composite containing 20 wt % Fe3O4 was found to be 12 emu/g. The hybrid hydroxyapatite (Ca10(PO4)6(OH)2)-ferrite Fe3O4 ceramics, which are promising for the use in magnetotransport and hyperthermia treatment, were synthesized and investigated for the first time.

  6. 2D Implosion Simulations with a Kinetic Particle Code

    CERN Document Server

    Sagert, Irina; Strother, Terrance T

    2016-01-01

    We perform two-dimensional (2D) implosion simulations using a Monte Carlo kinetic particle code. The paper is motivated by the importance of non-equilibrium effects in inertial confinement fusion (ICF) capsule implosions. These cannot be fully captured by hydrodynamic simulations while kinetic methods, as the one presented in this study, are able to describe continuum and rarefied regimes within one approach. In the past, our code has been verified via traditional shock wave and fluid instability simulations. In the present work, we focus on setups that are closer to applications in ICF. We perform simple 2D disk implosion simulations using one particle species. The obtained results are compared to simulations using the hydrodynamics code RAGE. In a first study, the implosions are powered by energy deposition in the outer layers of the disk. We test the impact of the particle mean-free-path and find that while the width of the implosion shock broadens, its location as a function of time remains very similar. ...

  7. Lattice Boltzmann Simulation of Particle Laden Flows in Microfluidic Systems

    Energy Technology Data Exchange (ETDEWEB)

    Clague, D S; Weisgraber, T; Wheeler, E; Hon, G; Radford, J; Gascoyne, P; Smity, R; Liepmann, D; Meinhart, C; Santiago, J; Krulevitch, P

    2003-07-22

    The goal of this effort was to develop dynamic simulation tools to study and characterize particulate transport in Microfluidic devices. This includes the effects of external fields and near-field particle-particle, particle-surface interactions. The unique aspect of this effort is that we focused on the particles in suspension and rigorously accounted for all of the interactions that they experienced in solution. In contrast, other numerical methods within the program, finite element and finite volume approaches, typically treat the suspended species as non-interacting point particles. Later in the program, some of these approaches incorporated approximations to begin to account for particle-particle interactions. Through the programs (BioFlips and SIMBIOSYS), we developed collaborative relationships with device-oriented efforts. More specifically and at the request of the SIMBIOSYS program manager, we allowed our efforts/milestones to be more guided by the needs of our BioFlips colleagues; therefore, our efforts were focused on the needs of the MD Anderson Cancer Center (Peter Gascoyne), UCDavis (Rosemary Smith), and UC Berkeley (Dorian Liepmann). The first two collaborations involved the development of Dielectrophoresis analysis tools and the later involved the development of suspension and fluid modeling tools for microneedles.

  8. Numerical Simulation of Particle Distribution in Capillary Membrane during Backwash

    Directory of Open Access Journals (Sweden)

    Anik Keller

    2013-09-01

    Full Text Available The membrane filtration with inside-out dead-end driven UF-/MF- capillary membranes is an effective process for particle removal in water treatment. Its industrial application increased in the last decade exponentially. To date, the research activities in this field were aimed first of all at the analysis of filtration phenomena disregarding the influence of backwash on the operation parameters of filtration plants. However, following the main hypothesis of this paper, backwash has great potential to increase the efficiency of filtration. In this paper, a numerical approach for a detailed study of fluid dynamic processes in capillary membranes during backwash is presented. The effect of particle size and inlet flux on the backwash process are investigated. The evaluation of these data concentrates on the analysis of particle behavior in the cross sectional plane and the appearance of eventually formed particle plugs inside the membrane capillary. Simulations are conducted in dead-end filtration mode and with two configurations. The first configuration includes a particle concentration of 10% homogeneously distributed within the capillary and the second configuration demonstrates a cake layer on the membrane surface with a packing density of 0:6. Analyzing the hydrodynamic forces acting on the particles shows that the lift force plays the main role in defining the particle enrichment areas. The operation parameters contribute in enhancing the lift force and the heterogeneity to anticipate the clogging of the membrane.

  9. A novel coupling of noise reduction algorithms for particle flow simulations

    Energy Technology Data Exchange (ETDEWEB)

    Zimoń, M.J., E-mail: malgorzata.zimon@stfc.ac.uk [School of Mechanical, Aerospace and Civil Engineering, The University of Manchester, Manchester M13 9PL (United Kingdom); James Weir Fluids Lab, Mechanical and Aerospace Engineering Department, The University of Strathclyde, Glasgow G1 1XJ (United Kingdom); Reese, J.M. [School of Engineering, The University of Edinburgh, Edinburgh EH9 3JL (United Kingdom); Emerson, D.R. [Scientific Computing Department, STFC Daresbury Laboratory, Warrington WA4 4AD (United Kingdom)

    2016-09-15

    Proper orthogonal decomposition (POD) and its extension based on time-windows have been shown to greatly improve the effectiveness of recovering smooth ensemble solutions from noisy particle data. However, to successfully de-noise any molecular system, a large number of measurements still need to be provided. In order to achieve a better efficiency in processing time-dependent fields, we have combined POD with a well-established signal processing technique, wavelet-based thresholding. In this novel hybrid procedure, the wavelet filtering is applied within the POD domain and referred to as WAVinPOD. The algorithm exhibits promising results when applied to both synthetically generated signals and particle data. In this work, the simulations compare the performance of our new approach with standard POD or wavelet analysis in extracting smooth profiles from noisy velocity and density fields. Numerical examples include molecular dynamics and dissipative particle dynamics simulations of unsteady force- and shear-driven liquid flows, as well as phase separation phenomenon. Simulation results confirm that WAVinPOD preserves the dimensionality reduction obtained using POD, while improving its filtering properties through the sparse representation of data in wavelet basis. This paper shows that WAVinPOD outperforms the other estimators for both synthetically generated signals and particle-based measurements, achieving a higher signal-to-noise ratio from a smaller number of samples. The new filtering methodology offers significant computational savings, particularly for multi-scale applications seeking to couple continuum informations with atomistic models. It is the first time that a rigorous analysis has compared de-noising techniques for particle-based fluid simulations.

  10. A novel coupling of noise reduction algorithms for particle flow simulations

    Science.gov (United States)

    Zimoń, M. J.; Reese, J. M.; Emerson, D. R.

    2016-09-01

    Proper orthogonal decomposition (POD) and its extension based on time-windows have been shown to greatly improve the effectiveness of recovering smooth ensemble solutions from noisy particle data. However, to successfully de-noise any molecular system, a large number of measurements still need to be provided. In order to achieve a better efficiency in processing time-dependent fields, we have combined POD with a well-established signal processing technique, wavelet-based thresholding. In this novel hybrid procedure, the wavelet filtering is applied within the POD domain and referred to as WAVinPOD. The algorithm exhibits promising results when applied to both synthetically generated signals and particle data. In this work, the simulations compare the performance of our new approach with standard POD or wavelet analysis in extracting smooth profiles from noisy velocity and density fields. Numerical examples include molecular dynamics and dissipative particle dynamics simulations of unsteady force- and shear-driven liquid flows, as well as phase separation phenomenon. Simulation results confirm that WAVinPOD preserves the dimensionality reduction obtained using POD, while improving its filtering properties through the sparse representation of data in wavelet basis. This paper shows that WAVinPOD outperforms the other estimators for both synthetically generated signals and particle-based measurements, achieving a higher signal-to-noise ratio from a smaller number of samples. The new filtering methodology offers significant computational savings, particularly for multi-scale applications seeking to couple continuum informations with atomistic models. It is the first time that a rigorous analysis has compared de-noising techniques for particle-based fluid simulations.

  11. Proton and Helium Injection Into First Order Fermi Acceleration at Shocks: Hybrid Simulation and Analysis

    Science.gov (United States)

    Dudnikova, Galina; Malkov, Mikhail; Sagdeev, Roald; Liseykina, Tatjana; Hanusch, Adrian

    2016-10-01

    Elemental composition of galactic cosmic rays (CR) probably holds the key to their origin. Most likely, they are accelerated at collisionless shocks in supernova remnants, but the acceleration mechanism is not entirely understood. One complicated problem is ``injection'', a process whereby the shock selects a tiny fraction of particles to keep on crossing its front and gain more energy. Comparing the injection rates of particles with different mass to charge ratio is a powerful tool for studying this process. Recent advances in measurements of CR He/p ratio have provided particularly important new clues. We performed a series of hybrid simulations and analyzed a joint injection of protons and Helium, in conjunction with upstream waves they generate. The emphasis of this work is on the bootstrap aspects of injection manifested in particle confinement to the shock and, therefore, their continuing acceleration by the self-driven waves. The waves are initially generated by He and protons in separate spectral regions, and their interaction plays a crucial role in particle acceleration. The work is ongoing and new results will be reported along with their analysis and comparison with the latest data from the AMS-02 space-based spectrometer. Work supported Grant RFBR 16-01-00209, NASA ATP-program under Award NNX14AH36G, and by the US Department of Energy under Award No. DE-FG02-04ER54738.

  12. Brightness through Local Constraint-LNA-Enhanced FIT Hybridization Probes for In Vivo Ribonucleotide Particle Tracking

    DEFF Research Database (Denmark)

    Hövelmann, Felix; Gaspar, Imre; Loibl, Simon

    2014-01-01

    Imaging the dynamics of RNA in living cells is usually performed by means of transgenic approaches that require modification of RNA targets and cells. Fluorogenic hybridization probes would also allow the analysis of wild-type organisms. We developed nuclease-resistant DNA forced intercalation (FIT......) probes that combine the high enhancement of fluorescence upon hybridization with the high brightness required to allow tracking of individual ribonucleotide particles (RNPs). In our design, a single thiazole orange (TO) intercalator dye is linked as a nucleobase surrogate and an adjacent locked nucleic...

  13. Accelerating Climate and Weather Simulations through Hybrid Computing

    Science.gov (United States)

    Zhou, Shujia; Cruz, Carlos; Duffy, Daniel; Tucker, Robert; Purcell, Mark

    2011-01-01

    Unconventional multi- and many-core processors (e.g. IBM (R) Cell B.E.(TM) and NVIDIA (R) GPU) have emerged as effective accelerators in trial climate and weather simulations. Yet these climate and weather models typically run on parallel computers with conventional processors (e.g. Intel, AMD, and IBM) using Message Passing Interface. To address challenges involved in efficiently and easily connecting accelerators to parallel computers, we investigated using IBM's Dynamic Application Virtualization (TM) (IBM DAV) software in a prototype hybrid computing system with representative climate and weather model components. The hybrid system comprises two Intel blades and two IBM QS22 Cell B.E. blades, connected with both InfiniBand(R) (IB) and 1-Gigabit Ethernet. The system significantly accelerates a solar radiation model component by offloading compute-intensive calculations to the Cell blades. Systematic tests show that IBM DAV can seamlessly offload compute-intensive calculations from Intel blades to Cell B.E. blades in a scalable, load-balanced manner. However, noticeable communication overhead was observed, mainly due to IP over the IB protocol. Full utilization of IB Sockets Direct Protocol and the lower latency production version of IBM DAV will reduce this overhead.

  14. (Bio)hybrid materials based on optically active particles

    Science.gov (United States)

    Reitzig, Manuela; Härtling, Thomas; Opitz, Jörg

    2014-03-01

    In this contribution we provide an overview of current investigations on optically active particles (nanodiamonds, upconversion phospors) for biohybrid and sensing applications. Due to their outstanding properties nanodiamonds gain attention in various application elds such as microelectronics, optical monitoring, medicine, and biotechnology. Beyond the typical diamond properties such as high thermal conductivity and extreme hardness, the carbon surface and its various functional groups enable diverse chemical and biological surface functionalization. At Fraunhofer IKTS-MD we develop a customization of material surfaces via integration of chemically modi ed nanodiamonds at variable surfaces, e.g bone implants and pipelines. For the rst purpose, nanodiamonds are covalently modi ed at their surface with amino or phosphate functionalities that are known to increase adhesion to bone or titanium alloys. The second type of surface is approached via mechanical implementation into coatings. Besides nanodiamonds, we also investigate the properties of upconversion phosphors. In our contribution we show how upconversion phosphors are used to verify sterilization processes via a change of optical properties due to sterilizing electron beam exposure.

  15. Hybrid framework for the simulation of stochastic chemical kinetics

    Science.gov (United States)

    Duncan, Andrew; Erban, Radek; Zygalakis, Konstantinos

    2016-12-01

    Stochasticity plays a fundamental role in various biochemical processes, such as cell regulatory networks and enzyme cascades. Isothermal, well-mixed systems can be modelled as Markov processes, typically simulated using the Gillespie Stochastic Simulation Algorithm (SSA) [25]. While easy to implement and exact, the computational cost of using the Gillespie SSA to simulate such systems can become prohibitive as the frequency of reaction events increases. This has motivated numerous coarse-grained schemes, where the "fast" reactions are approximated either using Langevin dynamics or deterministically. While such approaches provide a good approximation when all reactants are abundant, the approximation breaks down when one or more species exist only in small concentrations and the fluctuations arising from the discrete nature of the reactions become significant. This is particularly problematic when using such methods to compute statistics of extinction times for chemical species, as well as simulating non-equilibrium systems such as cell-cycle models in which a single species can cycle between abundance and scarcity. In this paper, a hybrid jump-diffusion model for simulating well-mixed stochastic kinetics is derived. It acts as a bridge between the Gillespie SSA and the chemical Langevin equation. For low reactant reactions the underlying behaviour is purely discrete, while purely diffusive when the concentrations of all species are large, with the two different behaviours coexisting in the intermediate region. A bound on the weak error in the classical large volume scaling limit is obtained, and three different numerical discretisations of the jump-diffusion model are described. The benefits of such a formalism are illustrated using computational examples.

  16. Simulations of ion acceleration at non-relativistic shocks: ii) magnetic field amplification and particle diffusion

    CERN Document Server

    Caprioli, Damiano

    2014-01-01

    We use large hybrid (kinetic ions-fluid electrons) simulations to study ion acceleration and generation of magnetic turbulence due to the streaming of energetic particles that are self-consistently accelerated at non-relativistic shocks. When acceleration is efficient (at quasi-parallel shocks), we find that the magnetic field develops transverse components and is significantly amplified in the pre-shock medium. The total amplification factor is larger than 10 for shocks with Mach number $M=100$, and scales with the square root of $M$. We find that in the shock precursor the energy spectral density of excited magnetic turbulence is proportional to spectral energy distribution of accelerated particles at corresponding resonant momenta, in good agreement with the predictions of quasilinear theory of diffusive shock acceleration. We discuss the role of Bell's instability, which is predicted and found to grow faster than resonant instability in shocks with $M\\gtrsim 30$. Ahead of these strong shocks we distinguis...

  17. PART 2: LARGE PARTICLE MODELLING Simulation of particle filtration processes in deformable media

    Directory of Open Access Journals (Sweden)

    Gernot Boiger

    2008-06-01

    Full Text Available In filtration processes it is necessary to consider both, the interaction of thefluid with the solid parts as well as the effect of particles carried in the fluidand accumulated on the solid. While part 1 of this paper deals with themodelling of fluid structure interaction effects, the accumulation of dirtparticles will be addressed in this paper. A closer look is taken on theimplementation of a spherical, LAGRANGIAN particle model suitable forsmall and large particles. As dirt accumulates in the fluid stream, it interactswith the surrounding filter fibre structure and over time causes modificationsof the filter characteristics. The calculation of particle force interactioneffects is necessary for an adequate simulation of this situation. A detailedDiscrete Phase Lagrange Model was developed to take into account thetwo-way coupling of the fluid and accumulated particles. The simulation oflarge particles and the fluid-structure interaction is realised in a single finitevolume flow solver on the basis of the OpenSource software OpenFoam.

  18. Perspective: Theory and simulation of hybrid halide perovskites

    Science.gov (United States)

    Whalley, Lucy D.; Frost, Jarvist M.; Jung, Young-Kwang; Walsh, Aron

    2017-06-01

    Organic-inorganic halide perovskites present a number of challenges for first-principles atomistic materials modeling. Such "plastic crystals" feature dynamic processes across multiple length and time scales. These include the following: (i) transport of slow ions and fast electrons; (ii) highly anharmonic lattice dynamics with short phonon lifetimes; (iii) local symmetry breaking of the average crystallographic space group; (iv) strong relativistic (spin-orbit coupling) effects on the electronic band structure; and (v) thermodynamic metastability and rapid chemical breakdown. These issues, which affect the operation of solar cells, are outlined in this perspective. We also discuss general guidelines for performing quantitative and predictive simulations of these materials, which are relevant to metal-organic frameworks and other hybrid semiconducting, dielectric and ferroelectric compounds.

  19. High viscosity fluid simulation using particle-based method

    KAUST Repository

    Chang, Yuanzhang

    2011-03-01

    We present a new particle-based method for high viscosity fluid simulation. In the method, a new elastic stress term, which is derived from a modified form of the Hooke\\'s law, is included in the traditional Navier-Stokes equation to simulate the movements of the high viscosity fluids. Benefiting from the Lagrangian nature of Smoothed Particle Hydrodynamics method, large flow deformation can be well handled easily and naturally. In addition, in order to eliminate the particle deficiency problem near the boundary, ghost particles are employed to enforce the solid boundary condition. Compared with Finite Element Methods with complicated and time-consuming remeshing operations, our method is much more straightforward to implement. Moreover, our method doesn\\'t need to store and compare to an initial rest state. The experimental results show that the proposed method is effective and efficient to handle the movements of highly viscous flows, and a large variety of different kinds of fluid behaviors can be well simulated by adjusting just one parameter. © 2011 IEEE.

  20. Thermodynamic Effects on Particle Movement:Wind Tunnel Simulation Results

    Institute of Scientific and Technical Information of China (English)

    NIU Qinghe; QU Jianjun; ZHANG Kecun; LIU Xianwan

    2012-01-01

    Sand/dust storms are some of the main hazards in arid and semi-arid zones.These storms also influence global environmental changes.By field observations,empirical statistics,and numerical simulations,pioneer researchers on these natural events have concluded the existence of a positive relationship between thermodynamic effects and sand/dust storms.Thermodynamic effects induce an unsteady stratified atmosphere to influence the process of these storms.However,studies on the relationship of thermodynamic effects with particles (i.e.,sand and dust) are limited.In this article,wind tunnel with heating was used to simulate the quantitative relationship between thermodynamic effects and particle movement on different surfaces.Compared with the cold state,the threshold wind velocity of particles is found to be significantly decrease under the hot state.The largest decrease percentage exceedes 9% on fine and coarse sand surfaces.The wind velocity also has a three-power function in the sand transport rate under the hot state with increased sand transport.Thermodynamic effects are stronger on loose surfaces and fine particles,but weaker on compacted surfaces and coarse particles.

  1. A Hybrid Flight Control for a Simulated Raptor-30 V2 Helicopter

    Directory of Open Access Journals (Sweden)

    Arbab Nighat Khizer

    2015-04-01

    Full Text Available This paper presents a hybrid flight control system for a single rotor simulated Raptor-30 V2 helicopter. Hybrid intelligent control system, combination of the conventional and intelligent control methodologies, is applied to small model helicopter. The proposed hybrid control used PID as a traditional control and fuzzy as an intelligent control so as to take the maximum advantage of advanced control theory. The helicopter?s model used; comes from X-Plane flight simulator and their hybrid flight control system was simulated using MATLAB/SIMULINK in a simulation platform. X-Plane is also used to visualize the performance of this proposed autopilot design. Through a series of numerous experiments, the operation of hybrid control system was investigated. Results verified that the proposed hybrid control has an excellent performance at hovering flight mode.

  2. Particle based plasma simulation for an ion engine discharge chamber

    Science.gov (United States)

    Mahalingam, Sudhakar

    Design of the next generation of ion engines can benefit from detailed computer simulations of the plasma in the discharge chamber. In this work a complete particle based approach has been taken to model the discharge chamber plasma. This is the first time that simplifying continuum assumptions on the particle motion have not been made in a discharge chamber model. Because of the long mean free paths of the particles in the discharge chamber continuum models are questionable. The PIC-MCC model developed in this work tracks following particles: neutrals, singly charged ions, doubly charged ions, secondary electrons, and primary electrons. The trajectories of these particles are determined using the Newton-Lorentz's equation of motion including the effects of magnetic and electric fields. Particle collisions are determined using an MCC statistical technique. A large number of collision processes and particle wall interactions are included in the model. The magnetic fields produced by the permanent magnets are determined using Maxwell's equations. The electric fields are determined using an approximate input electric field coupled with a dynamic determination of the electric fields caused by the charged particles. In this work inclusion of the dynamic electric field calculation is made possible by using an inflated plasma permittivity value in the Poisson solver. This allows dynamic electric field calculation with minimal computational requirements in terms of both computer memory and run time. In addition, a number of other numerical procedures such as parallel processing have been implemented to shorten the computational time. The primary results are those modeling the discharge chamber of NASA's NSTAR ion engine at its full operating power. Convergence of numerical results such as total number of particles inside the discharge chamber, average energy of the plasma particles, discharge current, beam current and beam efficiency are obtained. Steady state results for

  3. Application of GPU processing for Brownian particle simulation

    Science.gov (United States)

    Cheng, Way Lee; Sheharyar, Ali; Sadr, Reza; Bouhali, Othmane

    2015-01-01

    Reports on the anomalous thermal-fluid properties of nanofluids (dilute suspension of nano-particles in a base fluid) have been the subject of attention for 15 years. The underlying physics that govern nanofluid behavior, however, is not fully understood and is a subject of much dispute. The interactions between the suspended particles and the base fluid have been cited as a major contributor to the improvement in heat transfer reported in the literature. Numerical simulations are instrumental in studying the behavior of nanofluids. However, such simulations can be computationally intensive due to the small dimensions and complexity of these problems. In this study, a simplified computational approach for isothermal nanofluid simulations was applied, and simulations were conducted using both conventional CPU and parallel GPU implementations. The GPU implementations significantly improved the computational performance, in terms of the simulation time, by a factor of 1000-2500. The results of this investigation show that, as the computational load increases, the simulation efficiency approaches a constant. At a very high computational load, the amount of improvement may even decrease due to limited system memory.

  4. Particle simulation of filamentary formation in dielectric barrier discharge.

    Science.gov (United States)

    Fan, Weili; Dong, Lifang

    2015-11-01

    Dielectric barrier discharge (DBD) is well known for its extensive industrial applications. Recently, new attention has been paid to DBD as a system of rich nonlinear dynamics to study the self-organized filamentary patterns. Though a number of experimental studies have been implemented, the involved physics is still not completely clear, partially due to the limitation of the available space and time-resolved diagnostics. Computer simulation has proven to be an effective tool to give insights into the discharge mechanism. So far, most simulations presented are based on fluid models. However, since the plasma is non-equilibrium in DBD where the particle velocities may deviate from the Maxwellian distribution, self-consistent kinetic simulations are required. In this paper, two successive filamentary discharges in DBD have been studied by use of two-dimensional particle-in-cell simulation with Monte Carlo collisions included (PIC-MCC). The formation of multiple filaments and the involved electric fields, electric potentials, plasma densities, and particle temperatures are presented. Results show that both of the surface charges and space charges play significant roles in the discharges. The total electric field in the gas gap has been completely reversed before the ac voltage hit zero, due to the accumulation of the surface charges, which triggers the next discharge. The space charges always exist between two successive discharges, which provides the `seed charges' for reignition of the filaments. This modeling has revealed significant details of the discharge behaviors, which greatly improved our understanding of DBD mechanisms.

  5. Simulation of hybrid vehicle propulsion with an advanced battery model

    Energy Technology Data Exchange (ETDEWEB)

    Nallabolu, S.; Kostetzer, L.; Rudnyi, E. [CADFEM GmbH, Grafing (Germany); Geppert, M.; Quinger, D. [LION Smart GmbH, Frieding (Germany)

    2011-07-01

    In the recent years there has been observed an increasing concern about global warming and greenhouse gas emissions. In addition to the environmental issues the predicted scarcity of oil supplies and the dramatic increase in oil price puts new demands on vehicle design. As a result energy efficiency and reduced emission have become one of main selling point for automobiles. Hybrid electric vehicles (HEV) have therefore become an interesting technology for the governments and automotive industries. HEV are more complicated compared to conventional vehicles due to the fact that these vehicles contain more electrical components such as electric machines, power electronics, electronic continuously variable transmissions (CVT), and embedded powertrain controllers. Advanced energy storage devices and energy converters, such as Li-ion batteries, ultracapacitors, and fuel cells are also considered. A detailed vehicle model used for an energy flow analysis and vehicle performance simulation is necessary. Computer simulation is indispensible to facilitate the examination of the vast hybrid electric vehicle design space with the aim to predict the vehicle performance over driving profiles, estimate fuel consumption and the pollution emissions. There are various types of mathematical models and simulators available to perform system simulation of vehicle propulsion. One of the standard methods to model the complete vehicle powertrain is ''backward quasistatic modeling''. In this method vehicle subsystems are defined based on experiential models in the form of look-up tables and efficiency maps. The interaction between adjacent subsystems of the vehicle is defined through the amount of power flow. Modeling the vehicle subsystems like motor, engine, gearbox and battery is under this technique is based on block diagrams. The vehicle model is applied in two case studies to evaluate the vehicle performance and fuel consumption. In the first case study the affect

  6. Integration of Heat Transfer, Stress, and Particle Trajectory Simulation

    Energy Technology Data Exchange (ETDEWEB)

    Thuc Bui; Michael Read; Lawrence ives

    2012-05-17

    Calabazas Creek Research, Inc. developed and currently markets Beam Optics Analyzer (BOA) in the United States and abroad. BOA is a 3D, charged particle optics code that solves the electric and magnetic fields with and without the presence of particles. It includes automatic and adaptive meshing to resolve spatial scales ranging from a few millimeters to meters. It is fully integrated with CAD packages, such as SolidWorks, allowing seamless geometry updates. The code includes iterative procedures for optimization, including a fully functional, graphical user interface. Recently, time dependent, particle in cell capability was added, pushing particles synchronically under quasistatic electromagnetic fields to obtain particle bunching under RF conditions. A heat transfer solver was added during this Phase I program. Completed tasks include: (1) Added a 3D finite element heat transfer solver with adaptivity; (2) Determined the accuracy of the linear heat transfer field solver to provide the basis for development of higher order solvers in Phase II; (3) Provided more accurate and smoother power density fields; and (4) Defined the geometry using the same CAD model, while maintaining different meshes, and interfacing the power density field between the particle simulator and heat transfer solvers. These objectives were achieved using modern programming techniques and algorithms. All programming was in C++ and parallelization in OpenMP, utilizing state-of-the-art multi-core technology. Both x86 and x64 versions are supported. The GUI design and implementation used Microsoft Foundation Class.

  7. Simulation of Au particle interaction on graphene sheets

    Science.gov (United States)

    Mcleod, A.; Vernon, K. C.; Rider, A. E.; Ostrikov, K.

    2013-09-01

    The interaction of Au particles with few layer graphene is of interest for the formation of the next generation of sensing devices 1. In this paper we investigate the coupling of single gold nanoparticles to a graphene sheet, and multiple gold nanoparticles with a graphene sheet using COMSOL Multiphysics. By using these simulations we are able to determine the electric field strength and associated hot-spots for various gold nanoparticle-graphene systems. The Au nanoparticles were modelled as 8 nm diameter spheres on 1.5 nm thick (5 layers) graphene, with properties of graphene obtained from the refractive index data of Weber 2 and the Au refractive index data from Palik 3. The field was incident along the plane of the sheet with polarisation tested for both s and p. The study showed strong localised interaction between the Au and graphene with limited spread; however the double particle case where the graphene sheet separated two Au nanoparticles showed distinct interaction between the particles and graphene. An offset was introduced (up to 4 nm) resulting in much reduced coupling between the opposed particles as the distance apart increased. Findings currently suggest that the graphene layer has limited interaction with incident fields with a single particle present whilst reducing the coupling region to a very fine area when opposing particles are involved. It is hoped that the results of this research will provide insight into graphene-plasmon interactions and spur the development of the next generation of sensing devices.

  8. Control-relevant modeling and simulation of a SOFC-GT hybrid system

    Directory of Open Access Journals (Sweden)

    Rambabu Kandepu

    2006-07-01

    Full Text Available In this paper, control-relevant models of the most important components in a SOFC-GT hybrid system are described. Dynamic simulations are performed on the overall hybrid system. The model is used to develop a simple control structure, but the simulations show that more elaborate control is needed.

  9. A conservative and a hybrid early rejection schemes for accelerating Monte Carlo molecular simulation

    KAUST Repository

    Kadoura, Ahmad Salim

    2014-03-17

    Molecular simulation could provide detailed description of fluid systems when compared to experimental techniques. They can also replace equations of state; however, molecular simulation usually costs considerable computational efforts. Several techniques have been developed to overcome such high computational costs. In this paper, two early rejection schemes, a conservative and a hybrid one, are introduced. In these two methods, undesired configurations generated by the Monte Carlo trials are rejected earlier than it would when using conventional algorithms. The methods are tested for structureless single-component Lennard-Jones particles in both canonical and NVT-Gibbs ensembles. The computational time reduction for both ensembles is observed at a wide range of thermodynamic conditions. Results show that computational time savings are directly proportional to the rejection rate of Monte Carlo trials. The proposed conservative scheme has shown to be successful in saving up to 40% of the computational time in the canonical ensemble and up to 30% in the NVT-Gibbs ensemble when compared to standard algorithms. In addition, it preserves the exact Markov chains produced by the Metropolis scheme. Further enhancement for NVT-Gibbs ensemble is achieved by combining this technique with the bond formation early rejection one. The hybrid method achieves more than 50% saving of the central processing unit (CPU) time.

  10. Multi-objective AGV scheduling in an FMS using a hybrid of genetic algorithm and particle swarm optimization

    Science.gov (United States)

    Yap, Hwa Jen; Musa, Siti Nurmaya; Tahriri, Farzad; Md Dawal, Siti Zawiah

    2017-01-01

    Flexible manufacturing system (FMS) enhances the firm’s flexibility and responsiveness to the ever-changing customer demand by providing a fast product diversification capability. Performance of an FMS is highly dependent upon the accuracy of scheduling policy for the components of the system, such as automated guided vehicles (AGVs). An AGV as a mobile robot provides remarkable industrial capabilities for material and goods transportation within a manufacturing facility or a warehouse. Allocating AGVs to tasks, while considering the cost and time of operations, defines the AGV scheduling process. Multi-objective scheduling of AGVs, unlike single objective practices, is a complex and combinatorial process. In the main draw of the research, a mathematical model was developed and integrated with evolutionary algorithms (genetic algorithm (GA), particle swarm optimization (PSO), and hybrid GA-PSO) to optimize the task scheduling of AGVs with the objectives of minimizing makespan and number of AGVs while considering the AGVs’ battery charge. Assessment of the numerical examples’ scheduling before and after the optimization proved the applicability of all the three algorithms in decreasing the makespan and AGV numbers. The hybrid GA-PSO produced the optimum result and outperformed the other two algorithms, in which the mean of AGVs operation efficiency was found to be 69.4, 74, and 79.8 percent in PSO, GA, and hybrid GA-PSO, respectively. Evaluation and validation of the model was performed by simulation via Flexsim software. PMID:28263994

  11. Multi-objective AGV scheduling in an FMS using a hybrid of genetic algorithm and particle swarm optimization.

    Science.gov (United States)

    Mousavi, Maryam; Yap, Hwa Jen; Musa, Siti Nurmaya; Tahriri, Farzad; Md Dawal, Siti Zawiah

    2017-01-01

    Flexible manufacturing system (FMS) enhances the firm's flexibility and responsiveness to the ever-changing customer demand by providing a fast product diversification capability. Performance of an FMS is highly dependent upon the accuracy of scheduling policy for the components of the system, such as automated guided vehicles (AGVs). An AGV as a mobile robot provides remarkable industrial capabilities for material and goods transportation within a manufacturing facility or a warehouse. Allocating AGVs to tasks, while considering the cost and time of operations, defines the AGV scheduling process. Multi-objective scheduling of AGVs, unlike single objective practices, is a complex and combinatorial process. In the main draw of the research, a mathematical model was developed and integrated with evolutionary algorithms (genetic algorithm (GA), particle swarm optimization (PSO), and hybrid GA-PSO) to optimize the task scheduling of AGVs with the objectives of minimizing makespan and number of AGVs while considering the AGVs' battery charge. Assessment of the numerical examples' scheduling before and after the optimization proved the applicability of all the three algorithms in decreasing the makespan and AGV numbers. The hybrid GA-PSO produced the optimum result and outperformed the other two algorithms, in which the mean of AGVs operation efficiency was found to be 69.4, 74, and 79.8 percent in PSO, GA, and hybrid GA-PSO, respectively. Evaluation and validation of the model was performed by simulation via Flexsim software.

  12. Optimal Control for a Parallel Hybrid Hydraulic Excavator Using Particle Swarm Optimization

    Directory of Open Access Journals (Sweden)

    Dong-yun Wang

    2013-01-01

    Full Text Available Optimal control using particle swarm optimization (PSO is put forward in a parallel hybrid hydraulic excavator (PHHE. A power-train mathematical model of PHHE is illustrated along with the analysis of components’ parameters. Then, the optimal control problem is addressed, and PSO algorithm is introduced to deal with this nonlinear optimal problem which contains lots of inequality/equality constraints. Then, the comparisons between the optimal control and rule-based one are made, and the results show that hybrids with the optimal control would increase fuel economy. Although PSO algorithm is off-line optimization, still it would bring performance benchmark for PHHE and also help have a deep insight into hybrid excavators.

  13. Plasma environment of Titan: a 3-D hybrid simulation study

    Directory of Open Access Journals (Sweden)

    S. Simon

    2006-05-01

    Full Text Available Titan possesses a dense atmosphere, consisting mainly of molecular nitrogen. Titan's orbit is located within the Saturnian magnetosphere most of the time, where the corotating plasma flow is super-Alfvénic, yet subsonic and submagnetosonic. Since Titan does not possess a significant intrinsic magnetic field, the incident plasma interacts directly with the atmosphere and ionosphere. Due to the characteristic length scales of the interaction region being comparable to the ion gyroradii in the vicinity of Titan, magnetohydrodynamic models can only offer a rough description of Titan's interaction with the corotating magnetospheric plasma flow. For this reason, Titan's plasma environment has been studied by using a 3-D hybrid simulation code, treating the electrons as a massless, charge-neutralizing fluid, whereas a completely kinetic approach is used to cover ion dynamics. The calculations are performed on a curvilinear simulation grid which is adapted to the spherical geometry of the obstacle. In the model, Titan's dayside ionosphere is mainly generated by solar UV radiation; hence, the local ion production rate depends on the solar zenith angle. Because the Titan interaction features the possibility of having the densest ionosphere located on a face not aligned with the ram flow of the magnetospheric plasma, a variety of different scenarios can be studied. The simulations show the formation of a strong magnetic draping pattern and an extended pick-up region, being highly asymmetric with respect to the direction of the convective electric field. In general, the mechanism giving rise to these structures exhibits similarities to the interaction of the ionospheres of Mars and Venus with the supersonic solar wind. The simulation results are in agreement with data from recent Cassini flybys.

  14. A wind turbine hybrid simulation framework considering aeroelastic effects

    Science.gov (United States)

    Song, Wei; Su, Weihua

    2015-04-01

    In performing an effective structural analysis for wind turbine, the simulation of turbine aerodynamic loads is of great importance. The interaction between the wake flow and the blades may impact turbine blades loading condition, energy yield and operational behavior. Direct experimental measurement of wind flow field and wind profiles around wind turbines is very helpful to support the wind turbine design. However, with the growth of the size of wind turbines for higher energy output, it is not convenient to obtain all the desired data in wind-tunnel and field tests. In this paper, firstly the modeling of dynamic responses of large-span wind turbine blades will consider nonlinear aeroelastic effects. A strain-based geometrically nonlinear beam formulation will be used for the basic structural dynamic modeling, which will be coupled with unsteady aerodynamic equations and rigid-body rotations of the rotor. Full wind turbines can be modeled by using the multi-connected beams. Then, a hybrid simulation experimental framework is proposed to potentially address this issue. The aerodynamic-dominant components, such as the turbine blades and rotor, are simulated as numerical components using the nonlinear aeroelastic model; while the turbine tower, where the collapse of failure may occur under high level of wind load, is simulated separately as the physical component. With the proposed framework, dynamic behavior of NREL's 5MW wind turbine blades will be studied and correlated with available numerical data. The current work will be the basis of the authors' further studies on flow control and hazard mitigation on wind turbine blades and towers.

  15. A hybrid discrete particle swarm optimization-genetic algorithm for multi-task scheduling problem in service oriented manufacturing systems

    Institute of Scientific and Technical Information of China (English)

    武善玉; 张平; 李方; 古锋; 潘毅

    2016-01-01

    To cope with the task scheduling problem under multi-task and transportation consideration in large-scale service oriented manufacturing systems (SOMS), a service allocation optimization mathematical model was established, and then a hybrid discrete particle swarm optimization-genetic algorithm (HDPSOGA) was proposed. In SOMS, each resource involved in the whole life cycle of a product, whether it is provided by a piece of software or a hardware device, is encapsulated into a service. So, the transportation during production of a task should be taken into account because the hard-services selected are possibly provided by various providers in different areas. In the service allocation optimization mathematical model, multi-task and transportation were considered simultaneously. In the proposed HDPSOGA algorithm, integer coding method was applied to establish the mapping between the particle location matrix and the service allocation scheme. The position updating process was performed according to the cognition part, the social part, and the previous velocity and position while introducing the crossover and mutation idea of genetic algorithm to fit the discrete space. Finally, related simulation experiments were carried out to compare with other two previous algorithms. The results indicate the effectiveness and efficiency of the proposed hybrid algorithm.

  16. Linear benchmarks between the hybrid codes HYMAGYC and HMGC to study energetic particle driven Alfvénic modes

    Science.gov (United States)

    Fogaccia, G.; Vlad, G.; Briguglio, S.

    2016-11-01

    Resonant interaction between energetic particles (EPs), produced by fusion reactions and/or additional heating systems, and shear Alfvén modes can destabilize global Alfvénic modes enhancing the EP transport. In order to investigate the EP transport in present and next generation fusion devices, numerical simulations are recognized as a very important tool. Among the various numerical models, the hybrid MHD gyrokinetic one has shown to be a valid compromise between a sufficiently accurate wave-particle interaction description and affordable computational resource requirements. This paper presents a linear benchmark between the hybrid codes HYMAGYC and HMGC. The HYMAGYC code solves the full, linear MHD equations in general curvilinear geometry for the bulk plasma and describes the EP population by the nonlinear gyrokinetic Vlasov equation. On the other side, HMGC solves the nonlinear, reduced O≤ft(ε 03\\right) , pressureless MHD equations ({ε0} being the inverse aspect ratio) for the bulk plasma and the drift kinetic Vlasov equation for the EPs. The results of the HYMAGYC and HMGC codes have been compared both in the MHD limit and in a wide range of the EP parameter space for two test cases (one of which being the so-called TAE n  =  6 ITPA Energetic Particle Group test case), both characterized by {ε0}\\ll 1 . In the first test case (test case A), good qualitative agreement is found w.r.t. real frequencies, growth rates and spatial structures of the most unstable modes, with some quantitative differences for the growth rates. For the so-called ITPA test case (test case B), at the nominal energetic particle density value, the disagreement between the two codes is, on the contrary, also qualitative, as a different mode is found as the most unstable one.

  17. Solid Particle Erosion response of fiber and particulate filled polymer based hybrid composites: A review

    Directory of Open Access Journals (Sweden)

    Yogesh M

    2016-01-01

    Full Text Available The solid particle erosion behaviour of fiber and particulate filled polymer composites has been reviewed. An overview of the problem of solid particle erosion was given with respect to the processes and modes during erosion with focus on polymer matrix composites. The new aspects in the experimental studies of erosion of fiber and particulate filled polymer composites were emphasized in this paper. Various predictions and models proposed to describe the erosion rate were listed and their suitability was mentioned. Implementation of design of experiments and statistical techniques in analyzing the erosion behaviour of composites was discussed. Recent findings on erosion response of multi-component hybrid composites were also presented. Recommendations were given on how to solve some open questions related to the structureerosion resistance relationships for polymers and polymer based hybrid composites.

  18. A particle-based method for granular flow simulation

    KAUST Repository

    Chang, Yuanzhang

    2012-03-16

    We present a new particle-based method for granular flow simulation. In the method, a new elastic stress term, which is derived from a modified form of the Hooke\\'s law, is included in the momentum governing equation to handle the friction of granular materials. Viscosity force is also added to simulate the dynamic friction for the purpose of smoothing the velocity field and further maintaining the simulation stability. Benefiting from the Lagrangian nature of the SPH method, large flow deformation can be well handled easily and naturally. In addition, a signed distance field is also employed to enforce the solid boundary condition. The experimental results show that the proposed method is effective and efficient for handling the flow of granular materials, and different kinds of granular behaviors can be well simulated by adjusting just one parameter. © 2012 Science China Press and Springer-Verlag Berlin Heidelberg.

  19. Gyrokinetic particle simulation of a field reversed configuration

    Energy Technology Data Exchange (ETDEWEB)

    Fulton, D. P., E-mail: dfulton@uci.edu; Lau, C. K.; Holod, I.; Lin, Z., E-mail: zhihongl@uci.edu [Department of Physics and Astronomy, University of California, Irvine, California 92697 (United States); Dettrick, S. [Tri Alpha Energy, Inc., Rancho Santa Margarita, California 92688 (United States)

    2016-01-15

    Gyrokinetic particle simulation of the field-reversed configuration (FRC) has been developed using the gyrokinetic toroidal code (GTC). The magnetohydrodynamic equilibrium is mapped from cylindrical coordinates to Boozer coordinates for the FRC core and scrape-off layer (SOL), respectively. A field-aligned mesh is constructed for solving self-consistent electric fields using a semi-spectral solver in a partial torus FRC geometry. This new simulation capability has been successfully verified and driftwave instability in the FRC has been studied using the gyrokinetic simulation for the first time. Initial GTC simulations find that in the FRC core, the ion-scale driftwave is stabilized by the large ion gyroradius. In the SOL, the driftwave is unstable on both ion and electron scales.

  20. Smoothed Particle Magnetohydrodynamics Simulations of Protostellar Jets and Turbulent Dynamos

    CERN Document Server

    Tricco, Terrence S; Federrath, Christoph; Bate, Matthew R

    2013-01-01

    We presents results from Smoothed Particle Magnetohydrodynamics simulations of collapsing molecular cloud cores, and dynamo amplification of the magnetic field in the presence of Mach 10 magnetised turbulence. Our star formation simulations have produced, for the first time ever, highly collimated magnetised protostellar jets from the first hydrostatic core phase. Up to 40% of the initial core mass may be ejected through this outflow. The primary difficulty in performing these simulations is maintaining the divergence free constraint of the magnetic field, and to address this issue, we have developed a new divergence cleaning method which has allowed us to stably follow the evolution of these protostellar jets for long periods. The simulations performed of supersonic MHD turbulence are able to exponentially amplify magnetic energy by up to 10 orders of magnitude via turbulent dynamo. To reduce numerical dissipation, a new shock detection algorithm is utilised which is able to track magnetic shocks throughout ...

  1. Detection of oligonucleotide hybridization on a single microparticle by time-resolved fluorometry: hybridization assays on polymer particles obtained by direct solid phase assembly of the oligonucleotide probes.

    Science.gov (United States)

    Hakala, H; Heinonen, P; Iitiä, A; Lönnberg, H

    1997-01-01

    Oligodeoxyribonucleotides were assembled by conventional phosphoramidite chemistry on uniformly sized (50 microns) porous glycidyl methacrylate/ethylene dimethacrylate (SINTEF) and compact polystyrene (Dynosphere) particles, the aminoalkyl side chains of which were further derivatized with DMTrO-acetyl groups. The linker was completely resistant toward ammonolytic deprotection of the base moieties. The quality of oligonucleotides was assessed by repeating the synthesis on the same particles derivatized with a cleavable ester linker. The ability of the oligonucleotide-coated particles to bind complementary sequences via hybridization was examined by following the attachment of oligonucleotides bearing a photoluminescent europium(III) chelate to the particles. The fluorescence emission was measured directly on a single particle. The effects of the following factors on the kinetics and efficiency of hybridization were studied: number of particles in a given volume of the assay solution, loading of oligonucleotide on the particle, concentration of the target oligonucleotide in solution, length of the hybridizing sequence, presence of noncomplementary sequences, and ionic strength. The fluorescence signal measured on a single particle after hybridization was observed to be proportional to the concentration of the target oligonucleotide in solution over a concentration range of 5 orders of magnitude.

  2. Brownian dynamics simulations with hard-body interactions: Spherical particles

    CERN Document Server

    Behringer, Hans; 10.1063/1.4761827

    2012-01-01

    A novel approach to account for hard-body interactions in (overdamped) Brownian dynamics simulations is proposed for systems with non-vanishing force fields. The scheme exploits the analytically known transition probability for a Brownian particle on a one-dimensional half-line. The motion of a Brownian particle is decomposed into a component that is affected by hard-body interactions and into components that are unaffected. The hard-body interactions are incorporated by replacing the affected component of motion by the evolution on a half-line. It is discussed under which circumstances this approach is justified. In particular, the algorithm is developed and formulated for systems with space-fixed obstacles and for systems comprising spherical particles. The validity and justification of the algorithm is investigated numerically by looking at exemplary model systems of soft matter, namely at colloids in flow fields and at protein interactions. Furthermore, a thorough discussion of properties of other heurist...

  3. Simulation of Cell Adhesion using a Particle Transport Model

    Science.gov (United States)

    Chesnutt, Jennifer

    2005-11-01

    An efficient computational method for simulation of cell adhesion through protein binding forces is discussed. In this method, the cells are represented by deformable elastic particles, and the protein binding is represented by a rate equation. The method is first developed for collision and adhesion of two similar cells impacting on each other from opposite directions. The computational method is then applied in a particle-transport model for a cloud of interacting and colliding cells, each of which are represented by particles of finite size. One application might include red blood cells adhering together to form rouleaux, which are chains of red blood cells that are found in different parts of the circulatory system. Other potential applications include adhesion of platelets to a blood vessel wall or mechanical heart valve, which is a precursor of thrombosis formation, or adhesion of cancer cells to organ walls in the lymphatic, circulatory, digestive or pulmonary systems.

  4. NUMERICAL SIMULATION OF PARTICLE MOTION IN TURBO CLASSIFIER

    Institute of Scientific and Technical Information of China (English)

    Ning Xu; Guohua Li; Zhichu Huang

    2005-01-01

    Research on the flow field inside a turbo classifier is complicated though important. According to the stochastic trajectory model of particles in gas-solid two-phase flow, and adopting the PHOENICS code, numerical simulation is carried out on the flow field, including particle trajectory, in the inner cavity of a turbo classifier, using both straight and backward crooked elbow blades. Computation results show that when the backward crooked elbow blades are used, the mixed stream that passes through the two blades produces a vortex in the positive direction which counteracts the attached vortex in the opposite direction due to the high-speed turbo rotation, making the flow steadier, thus improving both the grade efficiency and precision of the turbo classifier. This research provides positive theoretical evidences for designing sub-micron particle classifiers with high efficiency and accuracy.

  5. NUMERICAL SIMULATION OF ORIENTATION DISTRIBUTION FUNCTION OF CYLINDRICAL PARTICLE SUSPENSIONS

    Institute of Scientific and Technical Information of China (English)

    林建忠; 张凌新

    2002-01-01

    The orientation distribution function of cylindrical particle suspensions was deduced and numerically simulated, and an application was taken in a wedge-shaped flow field. The relationship between the orientation distribution function and particle orientation angles was obtained. The results show that comparing with the most probable angle distribution which comes to being in short time, the distribution of the steady state doesn' t vary much in range ; the main difference is the anti-clockwise rotation in the right and upper field, that is, particles rotate more at the points where the velocity gradients are larger.The most probable orientations are close to the direction of local streamlines. In the direction of streamlines, with poleradius decreasing, the most probable angles increase,but the angles between their orientations and the local streamlines decrease.

  6. Hybrid Adsorptive and Oxidative Removal of Natural Organic Matter Using Iron Oxide-Coated Pumice Particles

    Directory of Open Access Journals (Sweden)

    Sehnaz Sule Kaplan Bekaroglu

    2016-01-01

    Full Text Available The aim of this work was to combine adsorptive and catalytic properties of iron oxide surfaces in a hybrid process using hydrogen peroxide and iron oxide-coated pumice particles to remove natural organic matter (NOM in water. Experiments were conducted in batch, completely mixed reactors using various original and coated pumice particles. The results showed that both adsorption and catalytic oxidation mechanisms played role in the removal of NOM. The hybrid process was found to be effective in removing NOM from water having a wide range of specific UV absorbance values. Iron oxide surfaces preferentially adsorbed UV280-absorbing NOM fractions. Furthermore, the strong oxidants produced from reactions among iron oxide surfaces and hydrogen peroxide also preferentially oxidized UV280-absorbing NOM fractions. Preloading of iron oxide surfaces with NOM slightly reduced the further NOM removal performance of the hybrid process. Overall, the results suggested that the tested hybrid process may be effective for removal of NOM and control disinfection by-product formation.

  7. A New Hybrid Algorithm for Bankruptcy Prediction Using Switching Particle Swarm Optimization and Support Vector Machines

    OpenAIRE

    2015-01-01

    Bankruptcy prediction has been extensively investigated by data mining techniques since it is a critical issue in the accounting and finance field. In this paper, a new hybrid algorithm combining switching particle swarm optimization (SPSO) and support vector machine (SVM) is proposed to solve the bankruptcy prediction problem. In particular, a recently developed SPSO algorithm is exploited to search the optimal parameter values of radial basis function (RBF) kernel of the SVM. The new algori...

  8. Hybrid Optimization Algorithm of Particle Swarm Optimization and Cuckoo Search for Preventive Maintenance Period Optimization

    OpenAIRE

    Jianwen Guo; Zhenzhong Sun; Hong Tang; Xuejun Jia; Song Wang; Xiaohui Yan; Guoliang Ye; Guohong Wu

    2016-01-01

    All equipment must be maintained during its lifetime to ensure normal operation. Maintenance is one of the critical roles in the success of manufacturing enterprises. This paper proposed a preventive maintenance period optimization model (PMPOM) to find an optimal preventive maintenance period. By making use of the advantages of particle swarm optimization (PSO) and cuckoo search (CS) algorithm, a hybrid optimization algorithm of PSO and CS is proposed to solve the PMPOM problem. The test fun...

  9. Simulation of polyvinylidene fluoride detector response to hypervelocity particle impact

    Energy Technology Data Exchange (ETDEWEB)

    Poppe, Andrew, E-mail: poppe@lasp.colorado.ed [Laboratory for Atmospheric and Space Physics, 1234 Innovation Drive, Boulder, CO 80303 (United States); Department of Physics, University of Colorado, 2000 Colorado Ave, Boulder, CO 80309 (United States); Colorado Center for Lunar Dust and Atmospheric Studies, University of Colorado at Boulder, Boulder, CO 80303 (United States); Jacobsmeyer, Brian [Laboratory for Atmospheric and Space Physics, 1234 Innovation Drive, Boulder, CO 80303 (United States); Department of Physics, University of Colorado, 2000 Colorado Ave, Boulder, CO 80309 (United States); James, David [Laboratory for Atmospheric and Space Physics, 1234 Innovation Drive, Boulder, CO 80303 (United States); Horanyi, Mihaly [Laboratory for Atmospheric and Space Physics, 1234 Innovation Drive, Boulder, CO 80303 (United States); Department of Physics, University of Colorado, 2000 Colorado Ave, Boulder, CO 80309 (United States); Colorado Center for Lunar Dust and Atmospheric Studies, University of Colorado at Boulder, Boulder, CO 80303 (United States)

    2010-10-21

    Polyvinylidene fluoride (PVDF) films have been utilized as interplanetary dust detectors for many years in a variety of space environments. PVDF serves as a dust detector by producing a 'depolarization' charge upon hypervelocity impact. Previous instruments have relied on empirical calibrations to establish the relationship between the mass and velocity of the impacting dust particle and the generated charge. Here, we present a new theoretical derivation of PVDF response to non-penetrating hypervelocity particle impacts. We compare our simulation results to experimental calibration data from the Cosmic Dust Experiment on the Aeronomy of Ice in the Mesosphere satellite and the Student Dust Counter on the New Horizons mission. The simulation results agree well with the experimental data, yet suggest a modified crater diameter scaling law for non-penetrating hypervelocity impacts into PVDF.

  10. Generating optimal initial conditions for smooth particle hydrodynamics (SPH) simulations

    Energy Technology Data Exchange (ETDEWEB)

    Diehl, Steven [Los Alamos National Laboratory; Rockefeller, Gabriel M [Los Alamos National Laboratory; Fryer, Christopher L [Los Alamos National Laboratory

    2008-01-01

    We present a new optimal method to set up initial conditions for Smooth Particle Hydrodynamics Simulations, which may also be of interest for N-body simulations. This new method is based on weighted Voronoi tesselations (WVTs) and can meet arbitrarily complex spatial resolution requirements. We conduct a comprehensive review of existing SPH setup methods, and outline their advantages, limitations and drawbacks. A serial version of our WVT setup method is publicly available and we give detailed instruction on how to easily implement the new method on top of an existing parallel SPH code.

  11. Electromagnetic Wave Scattering on Nonspherical Particles Basic Methodology and Simulations

    CERN Document Server

    Rother, Tom

    2009-01-01

    This book gives a detailed overview of the theory of electromagnetic wave scattering on single, homogeneous, but nonspherical particles. A related Green’s function formalism is systematically developed which provides a powerful mathematical basis not only for the development of numerical approaches but also to discuss those general aspects like symmetry, unitarity, and the validity of Rayleigh’s hypothesis. Example simulations are performed in order to demonstrate the usefulness of the developed formalism as well as to introduce the simulation software which is provided on a CD-ROM with the book.

  12. SIMULATION OF PARTICLE DYNAMICS IN THE STERN-GERLACH APPARATUS

    Directory of Open Access Journals (Sweden)

    Trunev A. P.

    2016-03-01

    Full Text Available The model of the motion of particles in the SternGerlach apparatus in the classical and quantum mechanics was developed. The data simulation of particle trajectories and distribution of silver atoms on the surface of the plate in their deposition are discussed. It was found that for the experimentally observed distribution of two-dimensional shapes of the atoms must be assumed that the atoms are not involved in the precession motion in a magnetic field, while maintaining the direction of the magnetic moment, for example, parallel to the induction vector of the magnetic field during the time of motion in the apparatus. To obtain a realistic picture of the figure of the scattering of atoms used a classical model of movement and expression of forces compatible with the quantum picture of the motion of particles with spin ½. The magnetic field is simulated based on the original Stern-Gerlach data describing the distribution of the gradient of the induction components related to the splitting of the beam. Quantum model of particle motion is based on the Pauli equation in the boundary layer approximation. It is found that in this model, depending on the initial polarization of the particle, beam is split into either two or is deflected towards the magnet blade or in the opposite direction. It is shown that if the initial conditions for the task are reproducing the geometric dimensions and the magnetic field in the Stern-Gerlach apparatus, the figure of the scattering particles in the shape of the outline is similar to the experimentally observed shape

  13. Gyrokinetics Simulation of Energetic Particle Turbulence and Transport

    Energy Technology Data Exchange (ETDEWEB)

    Diamond, Patrick H.

    2011-09-21

    Progress in research during this year elucidated the physics of precession resonance and its interaction with radial scattering to form phase space density granulations. Momentum theorems for drift wave-zonal flow systems involving precession resonance were derived. These are directly generalizable to energetic particle modes. A novel nonlinear, subcritical growth mechanism was identified, which has now been verified by simulation. These results strengthen the foundation of our understanding of transport in burning plasmas

  14. On numerical turbulence generation for test-particle simulations

    OpenAIRE

    Tautz, R. C.; Dosch, A.

    2013-01-01

    A modified method is presented to generate artificial magnetic turbulence that is used for test-particle simulations. Such turbulent fields are obtained from the superposition of a set of wave modes with random polarizations and random directions of propagation. First, it is shown that the new method simultaneously fulfils requirements of isotropy, equal mean amplitude and variance for all field components, and vanishing divergence. Second, the number of wave modes required for a stochastic p...

  15. Constraining Particle Variation in Lunar Regolith for Simulant Design

    Science.gov (United States)

    Schrader, Christian M.; Rickman, Doug; Stoeser, Douglas; Hoelzer, Hans

    2008-01-01

    Simulants are used by the lunar engineering community to develop and test technologies for In Situ Resource Utilization (ISRU), excavation and drilling, and for mitigation of hazards to machinery and human health. Working with the United States Geological Survey (USGS), other NASA centers, private industry and academia, Marshall Space Flight Center (MSFC) is leading NASA s lunar regolith simulant program. There are two main efforts: simulant production and simulant evaluation. This work requires a highly detailed understanding of regolith particle type, size, and shape distribution, and of bulk density. The project has developed Figure of Merit (FoM) algorithms to quantitatively compare these characteristics between two materials. The FoM can be used to compare two lunar regolith samples, regolith to simulant, or two parcels of simulant. In work presented here, we use the FoM algorithm to examine the variance of particle type in Apollo 16 highlands regolith core and surface samples. For this analysis we have used internally consistent particle type data for the 90-150 m fraction of Apollo core 64001/64002 from station 4, core 60009/60010 from station 10, and surface samples from various Apollo 16 stations. We calculate mean modal compositions for each core and for the group of surface samples and quantitatively compare samples of each group to its mean as a measurement of within-group variance; we also calculate an FoM for every sample against the mean composition of 64001/64002. This gives variation with depth at two locations and between Apollo 16 stations. Of the tested groups, core 60009/60010 has the highest internal variance with an average FoM score of 0.76 and core 64001/64002 has the lowest with an average FoM of 0.92. The surface samples have a low but intermediate internal variance with an average FoM of 0.79. FoM s calculated against the 64001/64002 mean reference composition range from 0.79-0.97 for 64001/64002, from 0.41-0.91 for 60009/60010, and from

  16. Two-dimensional Hybrid Simulations of Kinetic Plasma Turbulence: Current and Vorticity vs Proton Temperature

    CERN Document Server

    Franci, Luca; Matteini, Lorenzo; Verdini, Andrea; Landi, Simone

    2016-01-01

    Proton temperature anisotropies between the directions parallel and perpendicular to the mean magnetic field are usually observed in the solar wind plasma. Here, we employ a high-resolution hybrid particle-in-cell simulation in order to investigate the relation between spatial properties of the proton temperature and the peaks in the current density and in the flow vorticity. Our results indicate that, although regions where the proton temperature is enhanced and temperature anisotropies are larger correspond approximately to regions where many thin current sheets form, no firm quantitative evidence supports the idea of a direct causality between the two phenomena. On the other hand, quite a clear correlation between the behavior of the proton temperature and the out-of-plane vorticity is obtained.

  17. The common component architecture for particle accelerator simulations.

    Energy Technology Data Exchange (ETDEWEB)

    Dechow, D. R.; Norris, B.; Amundson, J.; Mathematics and Computer Science; Tech-X Corp; FNAL

    2007-01-01

    Synergia2 is a beam dynamics modeling and simulation application for high-energy accelerators such as the Tevatron at Fermilab and the International Linear Collider, which is now under planning and development. Synergia2 is a hybrid, multilanguage software package comprised of two separate accelerator physics packages (Synergia and MaryLie/Impact) and one high-performance computer science package (PETSc). We describe our approach to producing a set of beam dynamics-specific software components based on the Common Component Architecture specification. Among other topics, we describe particular experiences with the following tasks: using Python steering to guide the creation of interfaces and to prototype components; working with legacy Fortran codes; and an example component-based, beam dynamics simulation.

  18. LES/FDF simulation of particle dispersion in a gas-particle two phase plane wake flow

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    A filtered density function (FDF) transport equation was derived for the fluid velocity seen by the particles in gas-particle two-phase flow. An LES/FDF simulation of a two-phase plane wake flow was carried out. The simulation results were compared with both the experimental photograph and the simulation results without using the FDF model, and proved that the LES/FDF model can clearly improve the spatial dispersion of the particle phase.

  19. Speed-limited particle-in-cell (SLPIC) simulation

    Science.gov (United States)

    Werner, Gregory; Cary, John; Jenkins, Thomas

    2016-10-01

    Speed-limited particle-in-cell (SLPIC) simulation is a new method for particle-based plasma simulation that allows increased timesteps in cases where the timestep is determined (e.g., in standard PIC) not by the smallest timescale of interest, but rather by an even smaller physical timescale that affects numerical stability. For example, SLPIC need not resolve the plasma frequency if plasma oscillations do not play a significant role in the simulation; in contrast, standard PIC must usually resolve the plasma frequency to avoid instability. Unlike fluid approaches, SLPIC retains a fully-kinetic description of plasma particles and includes all the same physical phenomena as PIC; in fact, if SLPIC is run with a PIC-compatible timestep, it is identical to PIC. However, unlike PIC, SLPIC can run stably with larger timesteps. SLPIC has been shown to be effective for finding steady-state solutions for 1D collisionless sheath problems, greatly speeding up computation despite a large ion/electron mass ratio. SLPIC is a relatively small modification of standard PIC, with no complexities that might degrade parallel efficiency (compared to PIC), and is similarly compatible with PIC field solvers and boundary conditions.

  20. Simulation for Sludge Flocculation I: Brownian Dynamic Simulation for Perikinetic Flocculation of Charged Particle

    Directory of Open Access Journals (Sweden)

    Linshuang Liu

    2012-01-01

    Full Text Available To investigate sludge drying process, a numerical simulation based on Brownian dynamic for the floc with uncharged and charged particles was conducted. The Langevin equation is used as dynamical equation for tracking each particle in a floc. An initial condition and periodic boundary condition which well conformed to reality is used for calculating the floc growth process. Each cell consists of 1000 primary particles with diameter 0.1 ∼ 4 μm. Floc growth is related to the thermal force and the electrostatic force. The electrostatic force on a particle in the simulation cell is considered as the sum of electrostatic forces from other particles in the original cell and its replicate cells. It is assumed that flocs are charged with precharged primary particles in dispersion system by ionization. By the analysis of the simulation figures, on one hand, the effects of initial particle size and sludge density on floc smashing time, floc radius of gyration, and fractal dimension were discussed. On the other hand, the effects of ionization on floc smashing time and floc structure were presented. This study has important practical value in the high-turbidity water treatment, especially for sludge drying.

  1. Quantum Simulations of Solvated Biomolecules Using Hybrid Methods

    Science.gov (United States)

    Hodak, Miroslav

    2009-03-01

    One of the most important challenges in quantum simulations on biomolecules is efficient and accurate inclusion of the solvent, because the solvent atoms usually outnumber those in the biomolecule of interest. We have developed a hybrid method that allows for explicit quantum-mechanical treatment of the solvent at low computational cost. In this method, Kohn-Sham (KS) density functional theory (DFT) is combined with an orbital-free (OF) DFT. Kohn-Sham (KS) DFT is used to describe the biomolecule and its first solvation shells, while the orbital-free (OF) DFT is employed for the rest of the solvent. The OF part is fully O(N) and capable of handling 10^5 solvent molecules on current parallel supercomputers, while taking only ˜ 10 % of the total time. The compatibility between the KS and OF DFT methods enables seamless integration between the two. In particular, the flow of solvent molecules across the KS/OF interface is allowed and the total energy is conserved. As the first large-scale applications, the hybrid method has been used to investigate the binding of copper ions to proteins involved in prion (PrP) and Parkinson's diseases. Our results for the PrP, which causes mad cow disease when misfolded, resolve a contradiction found in experiments, in which a stronger binding mode is replaced by a weaker one when concentration of copper ions is increased, and show how it can act as a copper buffer. Furthermore, incorporation of copper stabilizes the structure of the full-length PrP, suggesting its protective role in prion diseases. For alpha-synuclein, a Parkinson's disease (PD) protein, we show that Cu binding modifies the protein structurally, making it more susceptible to misfolding -- an initial step in the onset of PD. In collaboration with W. Lu, F. Rose and J. Bernholc.

  2. Microstructure in two- and three-dimensional hybrid simulations of perpendicular collisionless shocks

    Science.gov (United States)

    Burgess, David; Hellinger, Petr; Gingell, Imogen; Trávníček, Pavel M.

    2016-08-01

    Supercritical collisionless perpendicular shocks have an average macrostructure determined primarily by the dynamics of ions specularly reflected at the magnetic ramp. Within the overall macrostructure, instabilities, both linear and nonlinear, generate fluctuations and microstructure. To identify the sources of such microstructure, high-resolution two- and three-dimensional simulations have been carried out using the hybrid method, wherein the ions are treated as particles and the electron response is modelled as a massless fluid. We confirm the results of earlier two-dimensional (2-D) simulations showing both field-parallel aligned propagating fluctuations and fluctuations carried by the reflected-gyrating ions. In addition, it is shown that, for 2-D simulations of the shock coplanarity plane, the presence of short-wavelength fluctuations in all magnetic components is associated with the ion Weibel instability driven at the upstream edge of the foot by the reflected-gyrating ions. In 3-D simulations we show for the first time that the dominant microstructure is due to a coupling between field-parallel propagating fluctuations in the ramp and the motion of the reflected ions. This results in a pattern of fluctuations counter-propagating across the surface of the shock at an angle inclined to the magnetic field direction, due to a combination of field-parallel motion at the Alfvén speed of the ramp and motion in the sense of gyration of the reflected ions.

  3. Effect of particle breakage on the behavior of simulated angular particle assemblies

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Many attempts have been made to find various relationships for different parameters and some kinds of constitutive models for studying the behavior of particulate media. All these models are based on concepts of continuous media. Using a numerical method such as discrete element method, one can figure out what is happening through a discontinuous media where soil particles play the main role in introducing the shear strength and deformation characteristics. The behavior of the media with breakable particles is studied in this paper and compared with that of the assembly with non-breakable particles. In this paper, the hyperbolic elastic model is investigated for the assembly of polygon shaped particles in two different test series. In addition, evolution of different macro parameters of the assembly such as volume strain, angle of friction, angle of dilatancy and elastic modulus is studied during the simulation tests both for non-breakable and breakable soil particles. At the end, a parametric study is performed on the effect of strength of particle breakage on the assembly behavior.

  4. Inertial particles in a shearless mixing layer: direct numerical simulations

    Science.gov (United States)

    Ireland, Peter; Collins, Lance

    2010-11-01

    Entrainment, the drawing in of external fluid by a turbulent flow, is present in nearly all turbulent processes, from exhaust plumes to oceanic thermoclines to cumulus clouds. While the entrainment of fluid and of passive scalars in turbulent flows has been studied extensively, comparatively little research has been undertaken on inertial particle entrainment. We explore entrainment of inertial particles in a shearless mixing layer across a turbulent-non-turbulent interface (TNI) and a turbulent-turbulent interface (TTI) through direct numerical simulation (DNS). Particles are initially placed on one side of the interface and are advanced in time in decaying turbulence. Our results show that the TTI is more efficient in mixing droplets than the TNI. We also find that without the influence of gravity, over the range of Stokes numbers present in cumulus clouds, particle concentration statistics are essentially independent of the dissipation scale Stokes number. The DNS data agrees with results from experiments performed in a wind tunnel with close parametric overlap. We anticipate that a better understanding of the role of gravity and turbulence in inertial particle entrainment will lead to improved cloud evolution predictions and more accurate climate models. Sponsored by the U.S. NSF.

  5. Simulation of Neutral Particle Transport During HiPIMS

    Science.gov (United States)

    Trieschmann, Jan; Gallian, Sara; Brinkmann, Ralf Peter; Mussenbrock, Thomas

    2014-10-01

    In this work the importance of the knowledge of the spatial distribution, its temporal evolution as well as their energy distribution of heavy particles within sputtering processes is discussed. To describe these discharges - typically operated at very low pressures below 1 Pa - specific modeling approaches are required. Our approach comprises a three-dimensional kinetic Lagrangian description of neutral particles. A modified version of the direct simulation Monte Carlo (DSMC) code dsmcFoam is used, with the aim to describe the evolution of background and sputtered particles of a High Power Impulse Magnetron Sputtering (HiPIMS) process in a research reactor. Emphasize is put on the influence of the initial angular distribution of sputtered particles, as well as their energy distribution and its angular dependence. Based on the work of Stepanova and Dew a modified Thompson energy distribution is used. Differently distributed sputtered particles provide densities and fluxes concerning the corresponding film formation. This work is supported by the German Research Foundation in the frame of the Collaborative Research Centre TRR 87.

  6. Hybrid Simulation Modeling to Estimate U.S. Energy Elasticities

    Science.gov (United States)

    Baylin-Stern, Adam C.

    This paper demonstrates how an U.S. application of CIMS, a technologically explicit and behaviourally realistic energy-economy simulation model which includes macro-economic feedbacks, can be used to derive estimates of elasticity of substitution (ESUB) and autonomous energy efficiency index (AEEI) parameters. The ability of economies to reduce greenhouse gas emissions depends on the potential for households and industry to decrease overall energy usage, and move from higher to lower emissions fuels. Energy economists commonly refer to ESUB estimates to understand the degree of responsiveness of various sectors of an economy, and use estimates to inform computable general equilibrium models used to study climate policies. Using CIMS, I have generated a set of future, 'pseudo-data' based on a series of simulations in which I vary energy and capital input prices over a wide range. I then used this data set to estimate the parameters for transcendental logarithmic production functions using regression techniques. From the production function parameter estimates, I calculated an array of elasticity of substitution values between input pairs. Additionally, this paper demonstrates how CIMS can be used to calculate price-independent changes in energy-efficiency in the form of the AEEI, by comparing energy consumption between technologically frozen and 'business as usual' simulations. The paper concludes with some ideas for model and methodological improvement, and how these might figure into future work in the estimation of ESUBs from CIMS. Keywords: Elasticity of substitution; hybrid energy-economy model; translog; autonomous energy efficiency index; rebound effect; fuel switching.

  7. GPU accelerated Hybrid Tree Algorithm for Collision-less N-body Simulations

    CERN Document Server

    Watanabe, Tsuyoshi

    2014-01-01

    We propose a hybrid tree algorithm for reducing calculation and communication cost of collision-less N-body simulations. The concept of our algorithm is that we split interaction force into two parts: hard-force from neighbor particles and soft-force from distant particles, and applying different time integration for the forces. For hard-force calculation, we can efficiently reduce the calculation and communication cost of the parallel tree code because we only need data of neighbor particles for this part. We implement the algorithm on GPU clusters to accelerate force calculation for both hard and soft force. As the result of implementing the algorithm on GPU clusters, we were able to reduce the communication cost and the total execution time to 40% and 80% of that of a normal tree algorithm, respectively. In addition, the reduction factor relative the normal tree algorithm is smaller for large number of processes, and we expect that the execution time can be ultimately reduced down to about 70% of the norma...

  8. Application of particle method to the casting process simulation

    Science.gov (United States)

    Hirata, N.; Zulaida, Y. M.; Anzai, K.

    2012-07-01

    Casting processes involve many significant phenomena such as fluid flow, solidification, and deformation, and it is known that casting defects are strongly influenced by the phenomena. However the phenomena complexly interacts each other and it is difficult to observe them directly because the temperature of the melt and other apparatus components are quite high, and they are generally opaque; therefore, a computer simulation is expected to serve a lot of benefits to consider what happens in the processes. Recently, a particle method, which is one of fully Lagrangian methods, has attracted considerable attention. The particle methods based on Lagrangian methods involving no calculation lattice have been developed rapidly because of their applicability to multi-physics problems. In this study, we combined the fluid flow, heat transfer and solidification simulation programs, and tried to simulate various casting processes such as continuous casting, centrifugal casting and ingot making. As a result of continuous casting simulation, the powder flow could be calculated as well as the melt flow, and the subsequent shape of interface between the melt and the powder was calculated. In the centrifugal casting simulation, the mold was smoothly modeled along the shape of the real mold, and the fluid flow and the rotating mold are simulated directly. As a result, the flow of the melt dragged by the rotating mold was calculated well. The eccentric rotation and the influence of Coriolis force were also reproduced directly and naturally. For ingot making simulation, a shrinkage formation behavior was calculated and the shape of the shrinkage agreed well with the experimental result.

  9. A Hybrid Chaos-Particle Swarm Optimization Algorithm for the Vehicle Routing Problem with Time Window

    Directory of Open Access Journals (Sweden)

    Qi Hu

    2013-04-01

    Full Text Available State-of-the-art heuristic algorithms to solve the vehicle routing problem with time windows (VRPTW usually present slow speeds during the early iterations and easily fall into local optimal solutions. Focusing on solving the above problems, this paper analyzes the particle encoding and decoding strategy of the particle swarm optimization algorithm, the construction of the vehicle route and the judgment of the local optimal solution. Based on these, a hybrid chaos-particle swarm optimization algorithm (HPSO is proposed to solve VRPTW. The chaos algorithm is employed to re-initialize the particle swarm. An efficient insertion heuristic algorithm is also proposed to build the valid vehicle route in the particle decoding process. A particle swarm premature convergence judgment mechanism is formulated and combined with the chaos algorithm and Gaussian mutation into HPSO when the particle swarm falls into the local convergence. Extensive experiments are carried out to test the parameter settings in the insertion heuristic algorithm and to evaluate that they are corresponding to the data’s real-distribution in the concrete problem. It is also revealed that the HPSO achieves a better performance than the other state-of-the-art algorithms on solving VRPTW.

  10. Integrating Geochemical Reactions with a Particle-Tracking Approach to Simulate Nitrogen Transport and Transformation in Aquifers

    Science.gov (United States)

    Cui, Z.; Welty, C.; Maxwell, R. M.

    2011-12-01

    Lagrangian, particle-tracking models are commonly used to simulate solute advection and dispersion in aquifers. They are computationally efficient and suffer from much less numerical dispersion than grid-based techniques, especially in heterogeneous and advectively-dominated systems. Although particle-tracking models are capable of simulating geochemical reactions, these reactions are often simplified to first-order decay and/or linear, first-order kinetics. Nitrogen transport and transformation in aquifers involves both biodegradation and higher-order geochemical reactions. In order to take advantage of the particle-tracking approach, we have enhanced an existing particle-tracking code SLIM-FAST, to simulate nitrogen transport and transformation in aquifers. The approach we are taking is a hybrid one: the reactive multispecies transport process is operator split into two steps: (1) the physical movement of the particles including the attachment/detachment to solid surfaces, which is modeled by a Lagrangian random-walk algorithm; and (2) multispecies reactions including biodegradation are modeled by coupling multiple Monod equations with other geochemical reactions. The coupled reaction system is solved by an ordinary differential equation solver. In order to solve the coupled system of equations, after step 1, the particles are converted to grid-based concentrations based on the mass and position of the particles, and after step 2 the newly calculated concentration values are mapped back to particles. The enhanced particle-tracking code is capable of simulating subsurface nitrogen transport and transformation in a three-dimensional domain with variably saturated conditions. Potential application of the enhanced code is to simulate subsurface nitrogen loading to the Chesapeake Bay and its tributaries. Implementation details, verification results of the enhanced code with one-dimensional analytical solutions and other existing numerical models will be presented in

  11. CFD simulation of gas and particles combustion in biomass furnaces

    Energy Technology Data Exchange (ETDEWEB)

    Griselin, Nicolas

    2000-11-01

    In this thesis, gas and particle combustion in biomass furnaces is investigated numerically. The aim of this thesis is to use Computational Fluid Dynamics (CFD) technology as an effective computer based simulation tool to study and develop the combustion processes in biomass furnaces. A detailed model for the numerical simulation of biomass combustion in a furnace, including fixed-bed modeling, gas-phase calculation (species distribution, temperature field, flow field) and gas-solid two-phase interaction for flying burning particles is presented. This model is used to understand the mechanisms of combustion and pollutant emissions under different conditions in small scale and large scale furnaces. The code used in the computations was developed at the Division of Fluid Mechanics, LTH. The flow field in the combustion enclosure is calculated by solving the Favre-averaged Navier-Stokes equations, with standard {kappa} - {epsilon} turbulence closure, together with the energy conservation equation and species transport equations. Discrete transfer method is used for calculating the radiation source term in the energy conservation equation. Finite difference is used to solve the general form of the equation yielding solutions for gas-phase temperatures, velocities, turbulence intensities and species concentrations. The code has been extended through this work in order to include two-phase flow simulation of particles and gas combustion. The Favre-averaged gas equations are solved in a Eulerian framework while the submodels for particle motion and combustion are used in the framework of a Lagrangian approach. Numerical simulations and measurement data of unburned hydrocarbons (UHC), CO, H{sub 2}, O{sub 2} and temperature on the top of the fixed bed are used to model the amount of tar and char formed during pyrolysis and combustion of biomass fuel in the bed. Different operating conditions are examined. Numerical calculations are compared with the measured data. It is

  12. Simulating deposition of high density tailings using smoothed particle hydrodynamics

    Science.gov (United States)

    Babaoglu, Yagmur; Simms, Paul H.

    2017-08-01

    Tailings are a slurry of silt-sized residual material derived from the milling of rock. High density (HD) tailings are tailings that have been sufficiently dewatered to a point where they exhibit a yield stress upon deposition. They form gently sloped stacks on the surface when deposited; this eliminates or minimizes the need for dams or embankments for containment. Understanding the flow behaviour of high density tailings is essential for estimating the final stack geometry and overall slope angle. This paper focuses on modelling the flow behaviour of HD tailings using smoothed particle hydrodynamics (SPH) method incorporating a `bi-viscosity' model to simulate the non-Newtonian behaviour. The model is validated by comparing the numerical results with bench scale experiments simulating single or multi-layer deposits in two-dimensions. The results indicate that the model agreed fairly well with the experimental work, excepting some repulsion of particles away from the bottom boundary closer to the toe of the deposits. Novel aspects of the work, compared to other simulation of Bingham fluids by SPH, are the simulation of multilayer deposits and the use of a stopping criteria to characterize the rest state.

  13. Load management strategy for Particle-In-Cell simulations in high energy particle acceleration

    Science.gov (United States)

    Beck, A.; Frederiksen, J. T.; Dérouillat, J.

    2016-09-01

    In the wake of the intense effort made for the experimental CILEX project, numerical simulation campaigns have been carried out in order to finalize the design of the facility and to identify optimal laser and plasma parameters. These simulations bring, of course, important insight into the fundamental physics at play. As a by-product, they also characterize the quality of our theoretical and numerical models. In this paper, we compare the results given by different codes and point out algorithmic limitations both in terms of physical accuracy and computational performances. These limitations are illustrated in the context of electron laser wakefield acceleration (LWFA). The main limitation we identify in state-of-the-art Particle-In-Cell (PIC) codes is computational load imbalance. We propose an innovative algorithm to deal with this specific issue as well as milestones towards a modern, accurate high-performance PIC code for high energy particle acceleration.

  14. Preparation and characterization of inorganic-organic trilayer core-shell polysilsesquioxane/polyacrylate/polydimethylsiloxane hybrid latex particles

    Science.gov (United States)

    Bai, Ruiqin; Qiu, Teng; Han, Feng; He, Lifan; Li, Xiaoyu

    2012-07-01

    The inorganic-organic trilayer core-shell polysilsesquioxane/polyacrylate/polydimethylsiloxane hybrid latex particles have been successfully prepared via seeded emulsion polymerization of acrylate monomers and octamethylcyclotetrasiloxane (D4) gradually, using functional polymethacryloxypropylsilsesquioxane (PSQ) latex particles with reactive methacryloxypropyl groups synthesized by the hydrolysis and polycondensation of (3-methacryloxypropyl)trimethoxysilane in the presence of mixed emulsifiers as seeds. The FTIR spectra show that acrylate monomers and D4 are effectively involved in the emulsion copolymerization and formed the polydimethylsiloxane-containing hybrid latex particles. Transmission electron microscopy (TEM) and dynamic light scattering (DLS) confirm that the resultant hybrid latex particles have evident trilayer core-shell structure and a narrow size distribution. XPS analysis also indicates that polysilsesquioxane/polyacrylate/polydimethylsiloxane hybrid latex particles have been successfully prepared and PDMS is rich in the surface of the hybrid latex film. Additionally, compared with the hybrid latex film without PDMS, the hybrid latex film containing PDMS shows higher hydrophobicity (water contact angle) and lower water absorption.

  15. Preparation and characterization of inorganic-organic trilayer core-shell polysilsesquioxane/polyacrylate/polydimethylsiloxane hybrid latex particles

    Energy Technology Data Exchange (ETDEWEB)

    Bai Ruiqin [College of Materials Science and Engineering, State Key Laboratory of Organic-Inorganic Composite, Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029 (China); Qiu Teng, E-mail: qiuteng@mail.buct.edu.cn [College of Materials Science and Engineering, State Key Laboratory of Organic-Inorganic Composite, Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029 (China); Han Feng; He Lifan [College of Materials Science and Engineering, State Key Laboratory of Organic-Inorganic Composite, Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029 (China); Li Xiaoyu, E-mail: lixy@mail.buct.edu.cn [College of Materials Science and Engineering, State Key Laboratory of Organic-Inorganic Composite, Key Laboratory of Carbon Fiber and Functional Polymers, Ministry of Education, Beijing University of Chemical Technology, Beijing 100029 (China)

    2012-07-15

    The inorganic-organic trilayer core-shell polysilsesquioxane/polyacrylate/polydimethylsiloxane hybrid latex particles have been successfully prepared via seeded emulsion polymerization of acrylate monomers and octamethylcyclotetrasiloxane (D{sub 4}) gradually, using functional polymethacryloxypropylsilsesquioxane (PSQ) latex particles with reactive methacryloxypropyl groups synthesized by the hydrolysis and polycondensation of (3-methacryloxypropyl)trimethoxysilane in the presence of mixed emulsifiers as seeds. The FTIR spectra show that acrylate monomers and D{sub 4} are effectively involved in the emulsion copolymerization and formed the polydimethylsiloxane-containing hybrid latex particles. Transmission electron microscopy (TEM) and dynamic light scattering (DLS) confirm that the resultant hybrid latex particles have evident trilayer core-shell structure and a narrow size distribution. XPS analysis also indicates that polysilsesquioxane/polyacrylate/polydimethylsiloxane hybrid latex particles have been successfully prepared and PDMS is rich in the surface of the hybrid latex film. Additionally, compared with the hybrid latex film without PDMS, the hybrid latex film containing PDMS shows higher hydrophobicity (water contact angle) and lower water absorption.

  16. A Hybrid Analytical/Simulation Modeling Approach for Planning and Optimizing Mass Tactical Airborne Operations

    Science.gov (United States)

    1995-05-01

    A HYBRID ANALYTICAL/ SIMULATION MODELING APPROACH FOR PLANNING AND OPTIMIZING MASS TACTICAL AIRBORNE OPERATIONS by DAVID DOUGLAS BRIGGS M.S.B.A...COVERED MAY 1995 TECHNICAL REPORT THESIS 4. TITLE AND SUBTITLE 5. FUNDING NUMBERS A HYBRID ANALYTICAL SIMULATION MODELING APPROACH FOR PLANNING AND...are present. Thus, simulation modeling presents itself as an excellent alternate tool for planning because it allows for the modeling of highly complex

  17. Verification of Gyrokinetic Particle of Turbulent Simulation of Device Size Scaling Transport

    Institute of Scientific and Technical Information of China (English)

    LIN Zhihong; S. ETHIER; T. S. HAHM; W. M. TANG

    2012-01-01

    Verification and historical perspective are presented on the gyrokinetic particle simulations that discovered the device size scaling of turbulent transport and indentified the geometry model as the source of the long-standing disagreement between gyrokinetic particle and continuum simulations.

  18. 3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

    Science.gov (United States)

    Wang, Zhenyu; Lin, Yu; Wang, Xueyi; Tummel, Kurt; Chen, Liu

    2016-07-01

    The eigenmode stability properties of three-dimensional lower-hybrid-drift-instabilities (LHDI) in a Harris current sheet with a small but finite guide magnetic field have been systematically studied by employing the gyrokinetic electron and fully kinetic ion (GeFi) particle-in-cell (PIC) simulation model with a realistic ion-to-electron mass ratio mi/me . In contrast to the fully kinetic PIC simulation scheme, the fast electron cyclotron motion and plasma oscillations are systematically removed in the GeFi model, and hence one can employ the realistic mi/me . The GeFi simulations are benchmarked against and show excellent agreement with both the fully kinetic PIC simulation and the analytical eigenmode theory. Our studies indicate that, for small wavenumbers, ky, along the current direction, the most unstable eigenmodes are peaked at the location where k →.B → =0 , consistent with previous analytical and simulation studies. Here, B → is the equilibrium magnetic field and k → is the wavevector perpendicular to the nonuniformity direction. As ky increases, however, the most unstable eigenmodes are found to be peaked at k →.B → ≠0 . In addition, the simulation results indicate that varying mi/me , the current sheet width, and the guide magnetic field can affect the stability of LHDI. Simulations with the varying mass ratio confirm the lower hybrid frequency and wave number scalings.

  19. An evaluation of noise reduction algorithms for particle-based fluid simulations in multi-scale applications

    Science.gov (United States)

    Zimoń, M. J.; Prosser, R.; Emerson, D. R.; Borg, M. K.; Bray, D. J.; Grinberg, L.; Reese, J. M.

    2016-11-01

    Filtering of particle-based simulation data can lead to reduced computational costs and enable more efficient information transfer in multi-scale modelling. This paper compares the effectiveness of various signal processing methods to reduce numerical noise and capture the structures of nano-flow systems. In addition, a novel combination of these algorithms is introduced, showing the potential of hybrid strategies to improve further the de-noising performance for time-dependent measurements. The methods were tested on velocity and density fields, obtained from simulations performed with molecular dynamics and dissipative particle dynamics. Comparisons between the algorithms are given in terms of performance, quality of the results and sensitivity to the choice of input parameters. The results provide useful insights on strategies for the analysis of particle-based data and the reduction of computational costs in obtaining ensemble solutions.

  20. Tribological Properties of Aluminum Alloy treated by Fine Particle Peening/DLC Hybrid Surface Modification

    Directory of Open Access Journals (Sweden)

    Nanbu H.

    2010-06-01

    Full Text Available In order to improve the adhesiveness of the DLC coating, Fine Particle Peening (FPP treatment was employed as pre-treatment of the DLC coating process. FPP treatment was performed using SiC shot particles, and then AA6061-T6 aluminum alloy was DLC-coated. A SiC-rich layer was formed around the surface of the aluminum alloy by the FPP treatment because small chips of shot particles were embedded into the substrate surface. Reciprocating sliding tests were conducted to measure the friction coefficients. While the DLC coated specimen without FPP treatment showed a sudden increase in friction coefficient at the early stage of the wear cycles, the FPP/DLC hybrid treated specimen maintained a low friction coefficient value during the test period. Further investigation revealed that the tribological properties of the substrate after the DLC coating were improved with an increase in the amount of Si at the surface.

  1. Self-Assembly of DNA-Coated Particles: Experiment, Simulation and Theory

    Science.gov (United States)

    Song, Minseok

    The bottom-up assembly of material architectures with tunable complexity, function, composition, and structure is a long sought goal in rational materials design. One promising approach aims to harnesses the programmability and specificity of DNA hybridization in order to direct the assembly of oligonucleotide-functionalized nano- and micro-particles by tailoring, in part, interparticle interactions. DNA-programmable assembly into three-dimensionally ordered structures has attracted extensive research interest owing to emergent applications in photonics, plasmonics and catalysis and potentially many other areas. Progress on the rational design of DNA-mediated interactions to create useful two-dimensional structures (e.g., structured films), on the other hand, has been rather slow. In this thesis, we establish strategies to engineer a diversity of 2D crystalline arrangements by designing and exploiting DNA-programmable interparticle interactions. We employ a combination of simulation, theory and experiments to predict and confirm accessibility of 2D structural diversity in an effort to establish a rational approach to 2D DNA-mediated particle assembly. We start with the experimental realization of 2D DNA-mediated assembly by decorating micron-sized silica particles with covalently attached single-stranded DNA through a two-step reaction. Subsequently, we elucidate sensitivity and ultimate controllability of DNA-mediated assembly---specifically the melting transition from dispersed singlet particles to aggregated or assembled structures---through control of the concentration of commonly employed nonionic surfactants. We relate the observed tunability to an apparent coupling with the critical micelle temperature in these systems. Also, both square and hexagonal 2D ordered particle arrangements are shown to evolve from disordered aggregates under appropriate annealing conditions defined based upon pre-established melting profiles. Subsequently, the controlled mixing of

  2. Parallelization of a Monte Carlo particle transport simulation code

    Science.gov (United States)

    Hadjidoukas, P.; Bousis, C.; Emfietzoglou, D.

    2010-05-01

    We have developed a high performance version of the Monte Carlo particle transport simulation code MC4. The original application code, developed in Visual Basic for Applications (VBA) for Microsoft Excel, was first rewritten in the C programming language for improving code portability. Several pseudo-random number generators have been also integrated and studied. The new MC4 version was then parallelized for shared and distributed-memory multiprocessor systems using the Message Passing Interface. Two parallel pseudo-random number generator libraries (SPRNG and DCMT) have been seamlessly integrated. The performance speedup of parallel MC4 has been studied on a variety of parallel computing architectures including an Intel Xeon server with 4 dual-core processors, a Sun cluster consisting of 16 nodes of 2 dual-core AMD Opteron processors and a 200 dual-processor HP cluster. For large problem size, which is limited only by the physical memory of the multiprocessor server, the speedup results are almost linear on all systems. We have validated the parallel implementation against the serial VBA and C implementations using the same random number generator. Our experimental results on the transport and energy loss of electrons in a water medium show that the serial and parallel codes are equivalent in accuracy. The present improvements allow for studying of higher particle energies with the use of more accurate physical models, and improve statistics as more particles tracks can be simulated in low response time.

  3. Test-particle simulations in increasingly strong turbulence

    Science.gov (United States)

    Pontius, D. H., Jr.; Gray, P. C.; Matthaeus, W. H.

    1995-01-01

    Quasi-linear theory supposes that the energy in resonant fluctuations is small compared to that in the mean magnetic field. This is evident in the fact that the zeroth-order particle trajectories are helices about a mean field B(sub o) that is spatially uniform over many correlation lengths. However, in the solar wind it is often the case that the fluctuating part of the field is comparable in magnitude to the mean part. It is generally expected that quasi-linear theory remains viable for particles that are in resonance with a region of the fluctuation spectrum having only small energy density, but even so, care must be taken when comparing simulations to theoretical predictions. We have performed a series of test-particle simulations to explore the evolution of ion distributions in turbulent situations with varying levels of magnetic fluctuations. As delta-B/B(sub o) is increased the distinctions among absolute pitch angle (defined relative to B(sub o)), local pitch angle (defined relative to B(x)), and magnetic moment become important, some of them exhibiting periodic sloshing unrelated to the nonadiabatic processes of interest. Comparing and contrasting the various runs illustrates the phenomena that must be considered when the premise underlying quasi-linear theory are relaxed.

  4. Hybrid Multilevel Monte Carlo Simulation of Stochastic Reaction Networks

    KAUST Repository

    Moraes, Alvaro

    2015-01-07

    Stochastic reaction networks (SRNs) is a class of continuous-time Markov chains intended to describe, from the kinetic point of view, the time-evolution of chemical systems in which molecules of different chemical species undergo a finite set of reaction channels. This talk is based on articles [4, 5, 6], where we are interested in the following problem: given a SRN, X, defined though its set of reaction channels, and its initial state, x0, estimate E (g(X(T))); that is, the expected value of a scalar observable, g, of the process, X, at a fixed time, T. This problem lead us to define a series of Monte Carlo estimators, M, such that, with high probability can produce values close to the quantity of interest, E (g(X(T))). More specifically, given a user-selected tolerance, TOL, and a small confidence level, η, find an estimator, M, based on approximate sampled paths of X, such that, P (|E (g(X(T))) − M| ≤ TOL) ≥ 1 − η; even more, we want to achieve this objective with near optimal computational work. We first introduce a hybrid path-simulation scheme based on the well-known stochastic simulation algorithm (SSA)[3] and the tau-leap method [2]. Then, we introduce a Multilevel Monte Carlo strategy that allows us to achieve a computational complexity of order O(T OL−2), this is the same computational complexity as in an exact method but with a smaller constant. We provide numerical examples to show our results.

  5. SIMULATION OF WIRELESS SENSOR NETWORK WITH HYBRID TOPOLOGY

    Directory of Open Access Journals (Sweden)

    J. Jaslin Deva Gifty

    2016-03-01

    Full Text Available The design of low rate Wireless Personal Area Network (WPAN by IEEE 802.15.4 standard has been developed to support lower data rates and low power consuming application. Zigbee Wireless Sensor Network (WSN works on the network and application layer in IEEE 802.15.4. Zigbee network can be configured in star, tree or mesh topology. The performance varies from topology to topology. The performance parameters such as network lifetime, energy consumption, throughput, delay in data delivery and sensor field coverage area varies depending on the network topology. In this paper, designing of hybrid topology by using two possible combinations such as star-tree and star-mesh is simulated to verify the communication reliability. This approach is to combine all the benefits of two network model. The parameters such as jitter, delay and throughput are measured for these scenarios. Further, MAC parameters impact such as beacon order (BO and super frame order (SO for low power consumption and high channel utilization, has been analysed for star, tree and mesh topology in beacon disable mode and beacon enable mode by varying CBR traffic loads.

  6. Modeling and simulation of a hybrid ship power system

    Science.gov (United States)

    Doktorcik, Christopher J.

    2011-12-01

    Optimizing the performance of naval ship power systems requires integrated design and coordination of the respective subsystems (sources, converters, and loads). A significant challenge in the system-level integration is solving the Power Management Control Problem (PMCP). The PMCP entails deciding on subsystem power usages for achieving a trade-off between the error in tracking a desired position/velocity profile, minimizing fuel consumption, and ensuring stable system operation, while at the same time meeting performance limitations of each subsystem. As such, the PMCP naturally arises at a supervisory level of a ship's operation. In this research, several critical steps toward the solution of the PMCP for surface ships have been undertaken. First, new behavioral models have been developed for gas turbine engines, wound rotor synchronous machines, DC super-capacitors, induction machines, and ship propulsion systems. Conventional models describe system inputs and outputs in terms of physical variables such as voltage, current, torque, and force. In contrast, the behavioral models developed herein express system inputs and outputs in terms of power whenever possible. Additionally, the models have been configured to form a hybrid system-level power model (HSPM) of a proposed ship electrical architecture. Lastly, several simulation studies have been completed to expose the capabilities and limitations of the HSPM.

  7. Broadband ground-motion simulation using a hybrid approach

    Science.gov (United States)

    Graves, R.W.; Pitarka, A.

    2010-01-01

    This paper describes refinements to the hybrid broadband ground-motion simulation methodology of Graves and Pitarka (2004), which combines a deterministic approach at low frequencies (f 1 Hz). In our approach, fault rupture is represented kinematically and incorporates spatial heterogeneity in slip, rupture speed, and rise time. The prescribed slip distribution is constrained to follow an inverse wavenumber-squared fall-off and the average rupture speed is set at 80% of the local shear-wave velocity, which is then adjusted such that the rupture propagates faster in regions of high slip and slower in regions of low slip. We use a Kostrov-like slip-rate function having a rise time proportional to the square root of slip, with the average rise time across the entire fault constrained empirically. Recent observations from large surface rupturing earthquakes indicate a reduction of rupture propagation speed and lengthening of rise time in the near surface, which we model by applying a 70% reduction of the rupture speed and increasing the rise time by a factor of 2 in a zone extending from the surface to a depth of 5 km. We demonstrate the fidelity of the technique by modeling the strong-motion recordings from the Imperial Valley, Loma Prieta, Landers, and Northridge earthquakes.

  8. Correlation of Particle Traversals with Clonogenic Survival Using Cell-Fluorescent Ion Track Hybrid Detector

    Science.gov (United States)

    Dokic, Ivana; Niklas, Martin; Zimmermann, Ferdinand; Mairani, Andrea; Seidel, Philipp; Krunic, Damir; Jäkel, Oliver; Debus, Jürgen; Greilich, Steffen; Abdollahi, Amir

    2015-01-01

    Development of novel approaches linking the physical characteristics of particles with biological responses are of high relevance for the field of particle therapy. In radiobiology, the clonogenic survival of cells is considered the gold standard assay for the assessment of cellular sensitivity to ionizing radiation. Toward further development of next generation biodosimeters in particle therapy, cell-fluorescent ion track hybrid detector (Cell-FIT-HD) was recently engineered by our group and successfully employed to study physical particle track information in correlation with irradiation-induced DNA damage in cell nuclei. In this work, we investigated the feasibility of Cell-FIT-HD as a tool to study the effects of clinical beams on cellular clonogenic survival. Tumor cells were grown on the fluorescent nuclear track detector as cell culture, mimicking the standard procedures for clonogenic assay. Cell-FIT-HD was used to detect the spatial distribution of particle tracks within colony-initiating cells. The physical data were associated with radiation-induced foci as surrogates for DNA double-strand breaks, the hallmark of radiation-induced cell lethality. Long-term cell fate was monitored to determine the ability of cells to form colonies. We report the first successful detection of particle traversal within colony-initiating cells at subcellular resolution using Cell-FIT-HD. PMID:26697410

  9. Correlation of Particle Traversals with Clonogenic Survival Using Cell-Fluorescent Ion Track Hybrid Detector

    Directory of Open Access Journals (Sweden)

    Ivana eDokic

    2015-12-01

    Full Text Available Development of novel approaches linking the physical characteristics of particles with biological responses are of high relevance for the field of particle therapy. In radiobiology, the clonogenic survival of cells is considered the gold standard assay for assessment of cellular sensitivity to ionizing radiation. Towards further development of next generation biodosimeters in particle therapy, cell-fluorescent ion track hybrid detector (Cell-FIT-HD was recently engineered by our group and successfully employed to study physical particle track information in correlation with irradiation- induced DNA damage in cell nuclei. In this work, we investigated the feasibility of Cell-FIT-HD as a tool to study the effects of clinical beams on cellular clonogenic survival. Tumor cells were grown on the FNTD as cell culture, mimicking the standard procedures for clonogenic assay. Cell-FIT-HD was used to detect the spatial distribution of particle tracks within colony-initiating cells. The physical data were associated to radiation induced foci as surrogates for DNA double strand breakages (DSB, the hallmark of radiation ‐induced cell lethality. Long‐term cell fate was monitored to determine the ability of cells to form colonies. We report the first successful detection of particle traversal within colony-initiating cells at subcellular resolution using Cell-FIT-HD.

  10. Hybrid-PIC Computer Simulation of the Plasma and Erosion Processes in Hall Thrusters

    Science.gov (United States)

    Hofer, Richard R.; Katz, Ira; Mikellides, Ioannis G.; Gamero-Castano, Manuel

    2010-01-01

    HPHall software simulates and tracks the time-dependent evolution of the plasma and erosion processes in the discharge chamber and near-field plume of Hall thrusters. HPHall is an axisymmetric solver that employs a hybrid fluid/particle-in-cell (Hybrid-PIC) numerical approach. HPHall, originally developed by MIT in 1998, was upgraded to HPHall-2 by the Polytechnic University of Madrid in 2006. The Jet Propulsion Laboratory has continued the development of HPHall-2 through upgrades to the physical models employed in the code, and the addition of entirely new ones. Primary among these are the inclusion of a three-region electron mobility model that more accurately depicts the cross-field electron transport, and the development of an erosion sub-model that allows for the tracking of the erosion of the discharge chamber wall. The code is being developed to provide NASA science missions with a predictive tool of Hall thruster performance and lifetime that can be used to validate Hall thrusters for missions.

  11. Development of flash nanoprecipitation as a scalable platform for production of hybrid polymer-inorganic Janus particles

    Science.gov (United States)

    Lee, Victoria E.; Prud'Homme, Robert K.; Priestley, Rodney D.

    Polymer Janus particles, containing two or more distinct domains, can act as supports for inorganic nanoparticles, stabilizing them against aggregation and templating anisotropic functionalization of the microparticles. This anisotropy can be advantageous for applications such as biofuel upgrading, bionanosensors, and responsive materials. Here, we introduce flash nanoprecipitation (FNP) as a scalable, fast process to create hybrid polymer-inorganic Janus particles with control of particle size and anisotropy. During FNP, polymer Janus particles form by rapid intermixing of a polymer solution with a poor solvent, inducing polymer precipitation and phase separation. Inorganic nanoparticles are then adsorbed selectively onto one domain of the polymer support by exploiting electrostatic interactions between the charged particles. By tuning polymer concentration and ratio in the feed stream, the particle size and anisotropy can be controlled. We further demonstrate that these hybrid particles can simultaneously stabilize emulsions and selectively catalyze the degradation of dye in one phase. With support from the Princeton Imaging Analysis Center.

  12. Membrane flux dynamics in the submerged ultrafiltration hybrid treatment process during particle and natural organic matter removal

    Institute of Scientific and Technical Information of China (English)

    Wei Zhang; Xiaojian Zhang; Yonghong Li; Jun Wang; Chao Chen

    2011-01-01

    Particles and natural organic matter (NOM) are two major concerns in surface water,which greatly influence the membrane filtration process.The objective of this article is to investigate the effect of particles,NOM and their interaction on the submerged ultrafiltration (UF) membrane flux under conditions of solo UF and coagulation and PAC adsorption as the pretreatment of UF.Particles,NOM and their mixture were spiked in tap water to simulate raw water.Exponential relationship,(JP/JP0 =axexp{-k[t-(n- 1)T]}),was developed to quantify the normalized membrane flux dynamics during the filtration period and fitted the results well.In this equation,coefficient a was determined by the value of Jp/Jp0 at the beginning of a filtration cycle,reflecting the flux recovery after backwashing,that is,the irreversible fouling.The coefficient k reflected the trend of flux dynamics.Integrated total permeability (ΣJp) in one filtration period could be used as a quantified indicator for comparison of different hybrid membrane processes or under different scenarios.According to the results,there was an additive effect on membrane flux by NOM and particles during solo UF process.This additive fouling could be alleviated by coagulation pretreatment since particles helped the formation of flocs with coagulant,which further delayed the decrease of membrane flux and benefited flux recovery by backwashing.The addition of PAC also increased membrane flux by adsorbing NOM and improved flux recovery through backwashing.

  13. A system for designing and simulating particle physics experiments

    Science.gov (United States)

    Żelazny, Roman; Strzałkowski, Piotr

    1987-01-01

    In view of the rapid development of experimental facilities and their costs, the systematic design and preparation of particle physics experiments have become crucial. A software system is proposed as an aid for the experimental designer, mainly for experimental geometry analysis and experimental simulation. The following model is adopted: the description of an experiment is formulated in a language (here called XL) and put by its processor in a data base. The language is based on the entity-relationship-attribute approach. The information contained in the data base can be reported and analysed by an analyser (called XA) and modifications can be made at any time. In particular, the Monte Carlo methods can be used in experiment simulation for both physical phenomena in experimental set-up and detection analysis. The general idea of the system is based on the design concept of ISDOS project information systems. The characteristics of the simulation module are similar to those of the CERN Geant system, but some extensions are proposed. The system could be treated as a component of a greater, integrated software environment for the design of particle physics experiments, their monitoring and data processing.

  14. Smoothed Particle Hydrodynamics for the Simulation of Laser Produced Plasmas

    Science.gov (United States)

    Griffith, Alec; Holladay, Tyler; Murillo, Michael S.

    2016-10-01

    To address the design and interpretation of experiments at next generation light sources such as at the SLAC LCLS and the LANL proposed MaRIE a simulation of the laser produced plasma targets has been developed. Smoothed particle hydrodynamics is used to capture the full experimental time and length scales, large degrees of deformation, and the experimental environment's open boundary conditions. Additionally the model incorporates plasma transport with thermal conduction, the electric potential, and a two species model of the electrons and ions. The electron and ion particle representations in SPH allow for time dependent ionization and recombination while addressing the disparate masses of the two species. To gain computational speedup our simulation takes advantage of parallelism, and to reduce computational cost we have explored using data structures such as the linked cell list and octree as well as algorithmic techniques such as the fast mutipole method. We will discuss the results of simulating several possible experimental configurations using our model. This work was supported by the Los Alamos National Laboratory computational physics workshop.

  15. Largest Particle Simulations Downgrade the Runaway Electron Risk for ITER

    CERN Document Server

    Liu, Jian; Wang, Yulei; Yang, Guangwen; Zheng, Jiangshan; Yao, Yicun; Zheng, Yifeng; Liu, Zhao; Liu, Xin

    2016-01-01

    Fusion energy will be the ultimate clean energy source for mankind. One of the most visible concerns of the future fusion device is the threat of deleterious runaway electrons (REs) produced during unexpected disruptions of the fusion plasma. Both efficient long-term algorithms and super-large scale computing power are necessary to reveal the complex dynamics of REs in a realistic fusion reactor. In the present study, we deploy the world's fastest supercomputer, Sunway TaihuLight, and the newly developed relativistic volume-preserving algorithm to carry out long-term particle simulations of 10^7 sampled REs in 6D phase space, which involves simulation scale of 10^18 particle-steps, the largest ever achieved in fusion research. Our simulations show that in a realistic fusion reactor, the concern of REs is not as serious as previously thought. Specifically, REs are confined much better than previously predicted and the maximum average energy is in the range of 150MeV, less than half of previous estimate.

  16. Dynamic simulation and optimal control strategy for a parallel hybrid hydraulic excavator

    Institute of Scientific and Technical Information of China (English)

    Xiao LIN; Shuang-xia PAN; Dong-yun WANG

    2008-01-01

    The primary focus of this study is to investigate the control strategies of a hybrid system used in hydraulic excavators. First, the structure and evaluation target of hybrid hydraulic excavators are analyzed. Then the dynamic system model including batteries, motor and engine is built as the simulation environment to obtain control results. A so-called multi-work-point dynamic control strategy, which has both closed-loop speed PI (proportion integral) control and direct torque control, is proposed and studied in the simulation model. Simulation results indicate that the hybrid system with this strategy can meet the power demand and achieve better system stability and higher fuel efficiency.

  17. Smoothed particle hydrodynamics method from a large eddy simulation perspective

    Science.gov (United States)

    Di Mascio, A.; Antuono, M.; Colagrossi, A.; Marrone, S.

    2017-03-01

    The Smoothed Particle Hydrodynamics (SPH) method, often used for the modelling of the Navier-Stokes equations by a meshless Lagrangian approach, is revisited from the point of view of Large Eddy Simulation (LES). To this aim, the LES filtering procedure is recast in a Lagrangian framework by defining a filter that moves with the positions of the fluid particles at the filtered velocity. It is shown that the SPH smoothing procedure can be reinterpreted as a sort of LES Lagrangian filtering, and that, besides the terms coming from the LES convolution, additional contributions (never accounted for in the SPH literature) appear in the equations when formulated in a filtered fashion. Appropriate closure formulas are derived for the additional terms and a preliminary numerical test is provided to show the main features of the proposed LES-SPH model.

  18. Simulation of flow in the microcirculation using a hybrid Lattice-Boltzman and Finite Element algorithm

    Science.gov (United States)

    Gonzalez-Mancera, Andres; Gonzalez Cardenas, Diego

    2014-11-01

    Flow in the microcirculation is highly dependent on the mechanical properties of the cells suspended in the plasma. Red blood cells have to deform in order to pass through the smaller sections in the microcirculation. Certain deceases change the mechanical properties of red blood cells affecting its ability to deform and the rheological behaviour of blood. We developed a hybrid algorithm based on the Lattice-Boltzmann and Finite Element methods to simulate blood flow in small capillaries. Plasma was modeled as a Newtonian fluid and the red blood cells' membrane as a hyperelastic solid. The fluid-structure interaction was handled using the immersed boundary method. We simulated the flow of plasma with suspended red blood cells through cylindrical capillaries and measured the pressure drop as a function of the membrane's rigidity. We also simulated the flow through capillaries with a restriction and identify critical properties for which the suspended particles are unable to flow. The algorithm output was verified by reproducing certain common features of flow int he microcirculation such as the Fahraeus-Lindqvist effect.

  19. Global Optimization Based on the Hybridization of Harmony Search and Particle Swarm Optimization Methods

    Directory of Open Access Journals (Sweden)

    A. P. Karpenko

    2014-01-01

    Full Text Available We consider a class of stochastic search algorithms of global optimization which in various publications are called behavioural, intellectual, metaheuristic, inspired by the nature, swarm, multi-agent, population, etc. We use the last term.Experience in using the population algorithms to solve challenges of global optimization shows that application of one such algorithm may not always effective. Therefore now great attention is paid to hybridization of population algorithms of global optimization. Hybrid algorithms unite various algorithms or identical algorithms, but with various values of free parameters. Thus efficiency of one algorithm can compensate weakness of another.The purposes of the work are development of hybrid algorithm of global optimization based on known algorithms of harmony search (HS and swarm of particles (PSO, software implementation of algorithm, study of its efficiency using a number of known benchmark problems, and a problem of dimensional optimization of truss structure.We set a problem of global optimization, consider basic algorithms of HS and PSO, give a flow chart of the offered hybrid algorithm called PSO HS , present results of computing experiments with developed algorithm and software, formulate main results of work and prospects of its development.

  20. Fluid electron, gyrokinetic ion simulations of linear internal kink and energetic particle modes

    Energy Technology Data Exchange (ETDEWEB)

    Cole, Michael, E-mail: michael.cole@ipp.mpg.de; Mishchenko, Alexey; Könies, Axel; Kleiber, Ralf; Borchardt, Matthias [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany)

    2014-07-15

    The internal kink mode is an important plasma instability responsible for a broad class of undesirable phenomena in tokamaks, including the sawtooth cycle and fishbones. To predict and discover ways to mitigate this behaviour in current and future devices, numerical simulations are necessary. The internal kink mode can be modelled by reduced magnetohydrodynamics (MHD). Fishbone modes are an inherently kinetic and non-linear phenomenon based on the n = 1 Energetic Particle Mode (EPM), and have been studied using hybrid codes that combine a reduced MHD bulk plasma model with a kinetic treatment of fast ions. In this work, linear simulations are presented using a hybrid model which couples a fluid treatment of electrons with a gyrokinetic treatment of both bulk and fast ions. Studies of the internal kink mode in geometry relevant to large tokamak experiments are presented and the effect of gyrokinetic ions is considered. Interaction of the kink with gyrokinetic fast ions is also considered, including the destabilisation of the linear n = 1 EPM underlying the fishbone.

  1. Dynamic Modeling and Simulation on a Hybrid Power System for Electric Vehicle Applications

    Directory of Open Access Journals (Sweden)

    Hong-Wen He

    2010-11-01

    Full Text Available Hybrid power systems, formed by combining high-energy-density batteries and high-power-density ultracapacitors in appropriate ways, provide high-performance and high-efficiency power systems for electric vehicle applications. This paper first establishes dynamic models for the ultracapacitor, the battery and a passive hybrid power system, and then based on the dynamic models a comparative simulation between a battery only power system and the proposed hybrid power system was done under the UDDS (Urban Dynamometer Driving Schedule. The simulation results showed that the hybrid power system could greatly optimize and improve the efficiency of the batteries and their dynamic current was also decreased due to the participation of the ultracapacitors, which would have a good influence on batteries’ cycle life. Finally, the parameter matching for the passive hybrid power system was studied by simulation and comparisons.

  2. A Numerical Approach for Hybrid Simulation of Power System Dynamics Considering Extreme Icing Events

    DEFF Research Database (Denmark)

    Chen, Lizheng; Zhang, Hengxu; Wu, Qiuwei

    2017-01-01

    The global climate change leads to more extreme meteorological conditions such as icing weather, which have caused great losses to power systems. Comprehensive simulation tools are required to enhance the capability of power system risk assessment under extreme weather conditions. A hybrid...... numerical simulation scheme integrating icing weather events with power system dynamics is proposed to extend power system numerical simulation. A technique is developed to efficiently simulate the interaction of slow dynamics of weather events and fast dynamics of power systems. An extended package for PSS....../E enabling hybrid simulation of icing event and power system disturbance is developed, based on which a hybrid simulation platform is established. Numerical studies show that the functionality of power system simulation is greatly extended by taking into account the icing weather events....

  3. Fluorescent Nanodiamond-Gold Hybrid Particles for Multimodal Optical and Electron Microscopy Cellular Imaging.

    Science.gov (United States)

    Liu, Weina; Naydenov, Boris; Chakrabortty, Sabyasachi; Wuensch, Bettina; Hübner, Kristina; Ritz, Sandra; Cölfen, Helmut; Barth, Holger; Koynov, Kaloian; Qi, Haoyuan; Leiter, Robert; Reuter, Rolf; Wrachtrup, Jörg; Boldt, Felix; Scheuer, Jonas; Kaiser, Ute; Sison, Miguel; Lasser, Theo; Tinnefeld, Philip; Jelezko, Fedor; Walther, Paul; Wu, Yuzhou; Weil, Tanja

    2016-10-12

    There is a continuous demand for imaging probes offering excellent performance in various microscopy techniques for comprehensive investigations of cellular processes by more than one technique. Fluorescent nanodiamond-gold nanoparticles (FND-Au) constitute a new class of "all-in-one" hybrid particles providing unique features for multimodal cellular imaging including optical imaging, electron microscopy, and, and potentially even quantum sensing. Confocal and optical coherence microscopy of the FND-Au allow fast investigations inside living cells via emission, scattering, and photothermal imaging techniques because the FND emission is not quenched by AuNPs. In electron microscopy, transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) analysis of FND-Au reveals greatly enhanced contrast due to the gold particles as well as an extraordinary flickering behavior in three-dimensional cellular environments originating from the nanodiamonds. The unique multimodal imaging characteristics of FND-Au enable detailed studies inside cells ranging from statistical distributions at the entire cellular level (micrometers) down to the tracking of individual particles in subcellular organelles (nanometers). Herein, the processes of endosomal membrane uptake and release of FNDs were elucidated for the first time by the imaging of individual FND-Au hybrid nanoparticles with single-particle resolution. Their convenient preparation, the availability of various surface groups, their flexible detection modalities, and their single-particle contrast in combination with the capability for endosomal penetration and low cytotoxicity make FND-Au unique candidates for multimodal optical-electronic imaging applications with great potential for emerging techniques, such as quantum sensing inside living cells.

  4. Generation of hybrid meshes for the simulation of petroleum reservoirs; Generation de maillages hybrides pour la simulation de reservoirs petroliers

    Energy Technology Data Exchange (ETDEWEB)

    Balaven-Clermidy, S.

    2001-12-01

    Oil reservoir simulations study multiphase flows in porous media. These flows are described and evaluated through numerical schemes on a discretization of the reservoir domain. In this thesis, we were interested in this spatial discretization and a new kind of hybrid mesh has been proposed where the radial nature of flows in the vicinity of wells is directly taken into account in the geometry. Our modular approach described wells and their drainage area through radial circular meshes. These well meshes are inserted in a structured reservoir mesh (a Corner Point Geometry mesh) made up with hexahedral cells. Finally, in order to generate a global conforming mesh, proper connections are realized between the different kinds of meshes through unstructured transition ones. To compute these transition meshes that we want acceptable in terms of finite volume methods, an automatic method based on power diagrams has been developed. Our approach can deal with a homogeneous anisotropic medium and allows the user to insert vertical or horizontal wells as well as secondary faults in the reservoir mesh. Our work has been implemented, tested and validated in 2D and 2D1/2. It can also be extended in 3D when the geometrical constraints are simplicial ones: points, segments and triangles. (author)

  5. Numerical Simulations of Flow and Fuel Regression Rate Coupling in Hybrid Rocket Motors

    Directory of Open Access Journals (Sweden)

    Marius STOIA-DJESKA

    2017-03-01

    Full Text Available The hybrid propulsion offers some remarkable advantages like high safety and high specific impulse and thus it is considered a promising technology for the next generation launchers and space systems. The purpose of this work is to validate a design tool for hybrid rocket motors (HRM through numerical simulations.

  6. Monte Carlo Simulation of Dosimetric Parameters for HYBRID PdI Source in Brachytherapy

    Institute of Scientific and Technical Information of China (English)

    2011-01-01

    A novel brachytherapy source model, ADVANTAGE HYBRID PdI, has been designed by CIAE For treatment of cancer. In this project, the purpose of this study is to obtain the dosimetric parameters of HYBRID PdI source. The Monte Carlo simulation

  7. Detecting shock waves in cosmological smoothed particle hydrodynamics simulations

    CERN Document Server

    Pfrommer, C; Ensslin, T A; Jubelgas, M; Pfrommer, Christoph; Springel, Volker; Ensslin, Torsten A.; Jubelgas, Martin

    2006-01-01

    We develop a formalism for the identification and accurate estimation of the strength of structure formation shocks during cosmological smoothed particle hydrodynamics simulations. Shocks not only play a decisive role for the thermalization of gas in virialising structures but also for the acceleration of relativistic cosmic rays (CRs) through diffusive shock acceleration. Our formalism is applicable both to ordinary non-relativistic thermal gas, and to plasmas composed of CRs and thermal gas. To this end, we derive an analytical solution to the one-dimensional Riemann shock tube problem for a composite plasma of CRs and thermal gas. We apply our methods to study the properties of structure formation shocks in high-resolution hydrodynamic simulations of the LCDM model. We find that most of the energy is dissipated in weak internal shocks with Mach numbers M~2 which are predominantly central flow shocks or merger shock waves traversing halo centres. Collapsed cosmological structures are surrounded by external ...

  8. Schmidt number effects in dissipative particle dynamics simulation of polymers.

    Science.gov (United States)

    Symeonidis, Vasileios; Karniadakis, George Em; Caswell, Bruce

    2006-11-14

    Simulation studies for dilute polymeric systems are presented using the dissipative particle dynamics method. By employing two different thermostats, the velocity-Verlet and Lowe's scheme, we show that the Schmidt number (S(c)) of the solvent strongly affects nonequilibrium polymeric quantities. The fractional extension of wormlike chains subjected to steady shear is obtained as a function of S(c). Poiseuille flow in microchannels for fixed polymer concentration and varying number of repeated units within a chain is simulated. The nonuniform concentration profiles and their dependence on S(c) are computed. We show the effect of the bounce-forward wall boundary condition on the depletion layer thickness. A power law fit of the velocity profile in stratified Poiseuille flow in a microchannel yields wall viscosities different from bulk values derived from uniform, steady plane Couette flow. The form of the velocity profiles indicates that the slip flow model is not useful for the conditions of these calculations.

  9. The Particle Accelerator Simulation Code PyORBIT

    Energy Technology Data Exchange (ETDEWEB)

    Gorlov, Timofey V [ORNL; Holmes, Jeffrey A [ORNL; Cousineau, Sarah M [ORNL; Shishlo, Andrei P [ORNL

    2015-01-01

    The particle accelerator simulation code PyORBIT is presented. The structure, implementation, history, parallel and simulation capabilities, and future development of the code are discussed. The PyORBIT code is a new implementation and extension of algorithms of the original ORBIT code that was developed for the Spallation Neutron Source accelerator at the Oak Ridge National Laboratory. The PyORBIT code has a two level structure. The upper level uses the Python programming language to control the flow of intensive calculations performed by the lower level code implemented in the C++ language. The parallel capabilities are based on MPI communications. The PyORBIT is an open source code accessible to the public through the Google Open Source Projects Hosting service.

  10. A particle based simulation model for glacier dynamics

    Directory of Open Access Journals (Sweden)

    J. A. Åström

    2013-10-01

    Full Text Available A particle-based computer simulation model was developed for investigating the dynamics of glaciers. In the model, large ice bodies are made of discrete elastic particles which are bound together by massless elastic beams. These beams can break, which induces brittle behaviour. At loads below fracture, beams may also break and reform with small probabilities to incorporate slowly deforming viscous behaviour in the model. This model has the advantage that it can simulate important physical processes such as ice calving and fracturing in a more realistic way than traditional continuum models. For benchmarking purposes the deformation of an ice block on a slip-free surface was compared to that of a similar block simulated with a Finite Element full-Stokes continuum model. Two simulations were performed: (1 calving of an ice block partially supported in water, similar to a grounded marine glacier terminus, and (2 fracturing of an ice block on an inclined plane of varying basal friction, which could represent transition to fast flow or surging. Despite several approximations, including restriction to two-dimensions and simplified water-ice interaction, the model was able to reproduce the size distributions of the debris observed in calving, which may be approximated by universal scaling laws. On a moderate slope, a large ice block was stable and quiescent as long as there was enough of friction against the substrate. For a critical length of frictional contact, global sliding began, and the model block disintegrated in a manner suggestive of a surging glacier. In this case the fragment size distribution produced was typical of a grinding process.

  11. A Hybrid Multiobjective Discrete Particle Swarm Optimization Algorithm for a SLA-Aware Service Composition Problem

    Directory of Open Access Journals (Sweden)

    Hao Yin

    2014-01-01

    Full Text Available For SLA-aware service composition problem (SSC, an optimization model for this algorithm is built, and a hybrid multiobjective discrete particle swarm optimization algorithm (HMDPSO is also proposed in this paper. According to the characteristic of this problem, a particle updating strategy is designed by introducing crossover operator. In order to restrain particle swarm’s premature convergence and increase its global search capacity, the swarm diversity indicator is introduced and a particle mutation strategy is proposed to increase the swarm diversity. To accelerate the process of obtaining the feasible particle position, a local search strategy based on constraint domination is proposed and incorporated into the proposed algorithm. At last, some parameters in the algorithm HMDPSO are analyzed and set with relative proper values, and then the algorithm HMDPSO and the algorithm HMDPSO+ incorporated by local search strategy are compared with the recently proposed related algorithms on different scale cases. The results show that algorithm HMDPSO+ can solve the SSC problem more effectively.

  12. Effect of particle volume fraction on the settling velocity of volcanic ash particles: insights from joint experimental and numerical simulations

    Science.gov (United States)

    Del Bello, Elisabetta; Taddeucci, Jacopo; de’ Michieli Vitturi, Mattia; Scarlato, Piergiorgio; Andronico, Daniele; Scollo, Simona; Kueppers, Ulrich; Ricci, Tullio

    2017-01-01

    Most of the current ash transport and dispersion models neglect particle-fluid (two-way) and particle-fluid plus particle-particle (four-way) reciprocal interactions during particle fallout from volcanic plumes. These interactions, a function of particle concentration in the plume, could play an important role, explaining, for example, discrepancies between observed and modelled ash deposits. Aiming at a more accurate prediction of volcanic ash dispersal and sedimentation, the settling of ash particles at particle volume fractions (ϕp) ranging 10‑7-10‑3 was performed in laboratory experiments and reproduced by numerical simulations that take into account first the two-way and then the four-way coupling. Results show that the velocity of particles settling together can exceed the velocity of particles settling individually by up to 4 times for ϕp ~ 10‑3. Comparisons between experimental and simulation results reveal that, during the sedimentation process, the settling velocity is largely enhanced by particle-fluid interactions but partly hindered by particle-particle interactions with increasing ϕp. Combining the experimental and numerical results, we provide an empirical model allowing correction of the settling velocity of particles of any size, density, and shape, as a function of ϕp. These corrections will impact volcanic plume modelling results as well as remote sensing retrieval techniques for plume parameters.

  13. Effect of particle volume fraction on the settling velocity of volcanic ash particles: insights from joint experimental and numerical simulations

    Science.gov (United States)

    Del Bello, Elisabetta; Taddeucci, Jacopo; de’ Michieli Vitturi, Mattia; Scarlato, Piergiorgio; Andronico, Daniele; Scollo, Simona; Kueppers, Ulrich; Ricci, Tullio

    2017-01-01

    Most of the current ash transport and dispersion models neglect particle-fluid (two-way) and particle-fluid plus particle-particle (four-way) reciprocal interactions during particle fallout from volcanic plumes. These interactions, a function of particle concentration in the plume, could play an important role, explaining, for example, discrepancies between observed and modelled ash deposits. Aiming at a more accurate prediction of volcanic ash dispersal and sedimentation, the settling of ash particles at particle volume fractions (ϕp) ranging 10−7-10−3 was performed in laboratory experiments and reproduced by numerical simulations that take into account first the two-way and then the four-way coupling. Results show that the velocity of particles settling together can exceed the velocity of particles settling individually by up to 4 times for ϕp ~ 10−3. Comparisons between experimental and simulation results reveal that, during the sedimentation process, the settling velocity is largely enhanced by particle-fluid interactions but partly hindered by particle-particle interactions with increasing ϕp. Combining the experimental and numerical results, we provide an empirical model allowing correction of the settling velocity of particles of any size, density, and shape, as a function of ϕp. These corrections will impact volcanic plume modelling results as well as remote sensing retrieval techniques for plume parameters. PMID:28045056

  14. Co-Simulation of Hybrid Systems with SpaceEx and Uppaal

    DEFF Research Database (Denmark)

    Bogomolov, Sergiy; Greitschus, Marius; Jensen, Peter Gjøl

    2015-01-01

    The Functional Mock-up Interface (FMI) is an industry standard which enables co-simulation of complex heterogeneous systems using multiple simulation engines. In this paper, we show how to use FMI in order to co-simulate hybrid systems modeled in the model checkers SPACEEX and UPPAAL. We show how...

  15. Two-Dimensional IIR Filter Design Using Simulated Annealing Based Particle Swarm Optimization

    Directory of Open Access Journals (Sweden)

    Supriya Dhabal

    2014-01-01

    Full Text Available We present a novel hybrid algorithm based on particle swarm optimization (PSO and simulated annealing (SA for the design of two-dimensional recursive digital filters. The proposed method, known as SA-PSO, integrates the global search ability of PSO with the local search ability of SA and offsets the weakness of each other. The acceptance criterion of Metropolis is included in the basic algorithm of PSO to increase the swarm’s diversity by accepting sometimes weaker solutions also. The experimental results reveal that the performance of the optimal filter designed by the proposed SA-PSO method is improved. Further, the convergence behavior as well as optimization accuracy of proposed method has been improved significantly and computational time is also reduced. In addition, the proposed SA-PSO method also produces the best optimal solution with lower mean and variance which indicates that the algorithm can be used more efficiently in realizing two-dimensional digital filters.

  16. Theory and simulation of epitaxial rotation. Light particles adsorbed on graphite

    DEFF Research Database (Denmark)

    Vives, E.; Lindgård, P.-A.

    1993-01-01

    We present a theory and Monte Carlo simulations of adsorbed particles on a corrugated substrate. We have focused on the case of rare gases and light molecules, H-2 and D2, adsorbed on graphite. The competition between the particle-particle and particle-substrate interactions gives rise to frustra......We present a theory and Monte Carlo simulations of adsorbed particles on a corrugated substrate. We have focused on the case of rare gases and light molecules, H-2 and D2, adsorbed on graphite. The competition between the particle-particle and particle-substrate interactions gives rise...

  17. Particle-in-cell simulations of particle energization from low Mach number fast mode shocks

    CERN Document Server

    Park, Jaehong; Blackman, Eric G; Ren, Chuang; Siller, Robert

    2012-01-01

    Astrophysical shocks are often studied in the high Mach number limit but weakly compressive fast shocks can occur in magnetic reconnection outflows and are considered to be a site of particle energization in solar flares. Here we study the microphysics of such perpendicular, low Mach number collisionless shocks using two-dimensional particle-in-cell (PIC) simulations with a reduced ion/electron mass ratio and employ a moving wall boundary method for initial generation of the shock. This moving wall method allows for more control of the shock speed, smaller simulation box sizes, and longer simulation times than the commonly used fixed wall, reflection method of shock formation. Our results, which are independent of the shock formation method, reveal the prevalence shock drift acceleration (SDA) of both electron and ions in a purely perpendicular shock with Alfv\\'en Mach number $M_A=6.8$ and ratio of thermal to magnetic pressure $\\beta=8$. We determine the respective minimum energies required for electrons and ...

  18. Layered double oxide (LDO) particle containing photoreactive hybrid layers with tunable superhydrophobic and photocatalytic properties

    Science.gov (United States)

    Deák, Ágota; Janovák, László; Csapó, Edit; Ungor, Ditta; Pálinkó, István; Puskás, Sándor; Ördög, Tibor; Ricza, Tamás; Dékány, Imre

    2016-12-01

    Inorganic/organic hybrid layers have been prepared having superhydrophobic as well as photoreactive properties. The hybrid thin films with micro- and nanosized dual-scale surface roughness consist of ∼25 μm layered double oxide (LDO) photocatalyst particles and low surface energy poly(perfluorodecyl acrylate) [p(PFDAc)] fluoropolymer binder material. The application of [p(PFDAc)] resulted in the decrease in the surface free energy of the hydrophilic LDO. The structured surface LDO with ∼12% ZnO phase content were synthesized from layer double hydroxide (LDH) spheres. The determined excitation wavelength and the calculated band gap energy values were 386 nm and 3.23 eV, respectively. The hybrid thin films were prepared by a simple spray-coating method, which is a low-cost, fast and scalable film-forming technique. The surface roughness and also the wetting properties of the two-component hybrid layers proved to be finely adjustable by the LDO:fluoropolymer ratio. It was found that at 80-90 wt% LDO content, the thin films with a surface free energy value of ∼12 mJ/m2 displayed superhydrophobic behaviour (Θ > 150°) with satisfactory photocatalytic properties. This means special photoreactive surfaces with superhydrophobic properties instead of the conventional superhydropilic photocatalyst layers. According to the benzoic acid photodegradation test experiments of benzoic acid, the hybrid layers with 80-90 wt% LDO content photooxidized 22-24% of the initial test molecule concentration (0.17 g/L) under UV-A (λmax = 365 nm) illumination.

  19. Enhancement of hybrid rocket combustion performance using nano-sized energetic particles

    Science.gov (United States)

    Risha, Grant Alexander

    Until now, the regression rate of classical hybrid rocket engines have typically been an order of magnitude lower than solid propellant motors; thus, hybrids require a relatively large fuel surface area for a given thrust level. In addition to low linear regression rates, relatively low combustion efficiency (87 to 92%), low mass burning rates, varying oxidizer-to-fuel ratio during operation, and lack of scaling laws have been reported. These disadvantages can be ameliorated by introducing nano-sized energetic powder additives into the solid fuel. The addition of nano-sized energetic particles into the solid fuel enhances performance as measured by parameters such as: density specific impulse, mass and linear burning rates, and thrust. Thermophysical properties of the solid fuel such as density, heat of combustion, thermal diffusivity, and thermal conductivity are also enhanced. The types of nano-sized energetic particles used in this study include aluminum, boron, boron carbide, and some Viton-A coated particles. Since the combustion process of solid fuels in a hybrid rocket engine is governed by the mass flux of the oxidizer entering the combustion chamber, the rate-limiting process is the mixing and reacting of the pyrolysis products of the fuel grain with the incoming oxidizer. The overall goal of this research was to determine the relative propulsive and combustion behavior for a family of newly-developed HTPB-based solid-fuel formulations containing various nano-sized energetic particles. Seventeen formulations contained 13% additive by weight, one formulation (SF4) contained 6.5% additive by weight, and one formulation (SF19) contained 5.65% boron by weight. The two hybrid rocket engines which were used in this investigation were the Long Grain Center-Perforated (LGCP) rocket engine and the X-Ray Transparent Casing (XTC) rocket engine. The smaller scale LGCP rocket engine was used to evaluate all of the formulations because conducting experiments using the

  20. Particle shape consideration in numerical simulation of assemblies of irregularly shaped particles

    Institute of Scientific and Technical Information of China (English)

    Saba Abedi; Ali Asghar Mirghasemi

    2011-01-01

    The mechanical behavior of granular materials depends much on the shape of the constituent particles.Therefore appropriate modeling of particle,or grain,shape is quite important.This study employed the method of direct modeling of grain shape (Matsushima & Saomto,2002),in which,the real shape of a grain is modeled by combining arbitrary number of overlapping circular elements which are connected to each other in a rigid way.Then,accordingly,a discrete-element program is used to simulate the assembly of grains.In order to measure the effects of grain shape on mechanical properties of assembly of grains,three types of grains-high angular grains,medium angular grains and round grains are considered where several biaxial tests are conducted on assemblies with different grain types.The results show that the angularity of grains greatly affects the behavior of granular soil.

  1. Numerical methodologies for investigation of moderate-velocity flow using a hybrid computational fluid dynamics - molecular dynamics simulation approach

    Energy Technology Data Exchange (ETDEWEB)

    Ko, Soon Heum [Linkoeping University, Linkoeping (Sweden); Kim, Na Yong; Nikitopoulos, Dimitris E.; Moldovan, Dorel [Louisiana State University, Baton Rouge (United States); Jha, Shantenu [Rutgers University, Piscataway (United States)

    2014-01-15

    Numerical approaches are presented to minimize the statistical errors inherently present due to finite sampling and the presence of thermal fluctuations in the molecular region of a hybrid computational fluid dynamics (CFD) - molecular dynamics (MD) flow solution. Near the fluid-solid interface the hybrid CFD-MD simulation approach provides a more accurate solution, especially in the presence of significant molecular-level phenomena, than the traditional continuum-based simulation techniques. It also involves less computational cost than the pure particle-based MD. Despite these advantages the hybrid CFD-MD methodology has been applied mostly in flow studies at high velocities, mainly because of the higher statistical errors associated with low velocities. As an alternative to the costly increase of the size of the MD region to decrease statistical errors, we investigate a few numerical approaches that reduce sampling noise of the solution at moderate-velocities. These methods are based on sampling of multiple simulation replicas and linear regression of multiple spatial/temporal samples. We discuss the advantages and disadvantages of each technique in the perspective of solution accuracy and computational cost.

  2. Direct Simulation of Extinction in a Slab of Spherical Particles

    Science.gov (United States)

    Mackowski, D.W.; Mishchenko, Michael I.

    2013-01-01

    The exact multiple sphere superposition method is used to calculate the coherent and incoherent contributions to the ensemble-averaged electric field amplitude and Poynting vector in systems of randomly positioned nonabsorbing spherical particles. The target systems consist of cylindrical volumes, with radius several times larger than length, containing spheres with positional configurations generated by a Monte Carlo sampling method. Spatially dependent values for coherent electric field amplitude, coherent energy flux, and diffuse energy flux, are calculated by averaging of exact local field and flux values over multiple configurations and over spatially independent directions for fixed target geometry, sphere properties, and sphere volume fraction. Our results reveal exponential attenuation of the coherent field and the coherent energy flux inside the particulate layer and thereby further corroborate the general methodology of the microphysical radiative transfer theory. An effective medium model based on plane wave transmission and reflection by a plane layer is used to model the dependence of the coherent electric field on particle packing density. The effective attenuation coefficient of the random medium, computed from the direct simulations, is found to agree closely with effective medium theories and with measurements. In addition, the simulation results reveal the presence of a counter-propagating component to the coherent field, which arises due to the internal reflection of the main coherent field component by the target boundary. The characteristics of the diffuse flux are compared to, and found to be consistent with, a model based on the diffusion approximation of the radiative transfer theory.

  3. A two-dimensional particle simulation of the magnetopause current layer

    Energy Technology Data Exchange (ETDEWEB)

    Berchem, J.; Okuda, H.

    1988-11-01

    We have developed a 2/1/2/-D (x, y, v/sub x/, v/sub y/, v/sub z/) electromagnetic code to study the formation and the stability of the magnetopause current layer. This code computes the trajectories of ion and electron particles in their self-consistently generated electromagnetic field and an externally imposed 2-D vacuum dipolar magnetic field. The results presented here are obtained for the simulation of the solar wind-magnetosphere interaction in the subsolar region of the equatorial plane. We observe the self-consistent establishment of a current layer resulting from both diamagnetic drift and E /times/ B drift due to the charge separation. The simulation results show that during the establishment of the current layer, its thickness is of the order of the hybrid gyroradius /rho//sub H/ = ..sqrt../rho//sub i//rho//sub e/ predicted by the Ferraro-Rosenbluth model. However, diagnostics indicate that the current sheet is subject to an instability which broadens the width of the current layer. Ripples with amplitudes of the order of the ion gyroradius appear at the interface between the field and the particles. These pertubations are observed both on the electrostatic field and on the compressional component of the magnetic field. This instability has a frequency of the order of the local ion cyclotron frequency. However, the modulation propagates in the same direction as the electron diamagnetic drift which indicates that the instability is not a classical gradient-driven instability, such as the lower hybrid or ion drift cyclotron instabilities. The nonlinear phase of the instability is characterized by the filamentation of the current layer which causes anomalous diffusion inside the central current sheet. 79 refs., 7 figs.

  4. HRSSA - Efficient hybrid stochastic simulation for spatially homogeneous biochemical reaction networks

    Science.gov (United States)

    Marchetti, Luca; Priami, Corrado; Thanh, Vo Hong

    2016-07-01

    This paper introduces HRSSA (Hybrid Rejection-based Stochastic Simulation Algorithm), a new efficient hybrid stochastic simulation algorithm for spatially homogeneous biochemical reaction networks. HRSSA is built on top of RSSA, an exact stochastic simulation algorithm which relies on propensity bounds to select next reaction firings and to reduce the average number of reaction propensity updates needed during the simulation. HRSSA exploits the computational advantage of propensity bounds to manage time-varying transition propensities and to apply dynamic partitioning of reactions, which constitute the two most significant bottlenecks of hybrid simulation. A comprehensive set of simulation benchmarks is provided for evaluating performance and accuracy of HRSSA against other state of the art algorithms.

  5. HRSSA – Efficient hybrid stochastic simulation for spatially homogeneous biochemical reaction networks

    Energy Technology Data Exchange (ETDEWEB)

    Marchetti, Luca, E-mail: marchetti@cosbi.eu [The Microsoft Research – University of Trento Centre for Computational and Systems Biology (COSBI), Piazza Manifattura, 1, 38068 Rovereto (Italy); Priami, Corrado, E-mail: priami@cosbi.eu [The Microsoft Research – University of Trento Centre for Computational and Systems Biology (COSBI), Piazza Manifattura, 1, 38068 Rovereto (Italy); University of Trento, Department of Mathematics (Italy); Thanh, Vo Hong, E-mail: vo@cosbi.eu [The Microsoft Research – University of Trento Centre for Computational and Systems Biology (COSBI), Piazza Manifattura, 1, 38068 Rovereto (Italy)

    2016-07-15

    This paper introduces HRSSA (Hybrid Rejection-based Stochastic Simulation Algorithm), a new efficient hybrid stochastic simulation algorithm for spatially homogeneous biochemical reaction networks. HRSSA is built on top of RSSA, an exact stochastic simulation algorithm which relies on propensity bounds to select next reaction firings and to reduce the average number of reaction propensity updates needed during the simulation. HRSSA exploits the computational advantage of propensity bounds to manage time-varying transition propensities and to apply dynamic partitioning of reactions, which constitute the two most significant bottlenecks of hybrid simulation. A comprehensive set of simulation benchmarks is provided for evaluating performance and accuracy of HRSSA against other state of the art algorithms.

  6. Computational Fluid Dynamics Study of Molten Steel Flow Patterns and Particle-Wall Interactions Inside a Slide-Gate Nozzle by a Hybrid Turbulent Model

    Science.gov (United States)

    Mohammadi-Ghaleni, Mahdi; Asle Zaeem, Mohsen; Smith, Jeffrey D.; O'Malley, Ronald

    2016-10-01

    Melt flow patterns and turbulence inside a slide-gate throttled submerged entry nozzle (SEN) were studied using Detached-Eddy Simulation (DES) model, which is a combination of Reynolds-Averaged Navier-Stokes (RANS) and Large-Eddy Simulation (LES) models. The DES switching criterion between RANS and LES was investigated to closely reproduce the flow structures of low and high turbulence regions similar to RANS and LES simulations, respectively. The melt flow patterns inside the nozzle were determined by k- ɛ (a RANS model), LES, and DES turbulent models, and convergence studies were performed to ensure reliability of the results. Results showed that the DES model has significant advantages over the standard k- ɛ model in transient simulations and in regions containing flow separation from the nozzle surface. Moreover, due to applying a hybrid approach, DES uses a RANS model at wall boundaries which resolves the extremely fine mesh requirement of LES simulations, and therefore it is computationally more efficient. Investigation of particle distribution inside the nozzle and particle adhesion to the nozzle wall also reveals that the DES model simulations predict more particle-wall interactions compared to LES model.

  7. Particle Swarm and Bacterial Foraging Inspired Hybrid Artificial Bee Colony Algorithm for Numerical Function Optimization

    Directory of Open Access Journals (Sweden)

    Li Mao

    2016-01-01

    Full Text Available Artificial bee colony (ABC algorithm has good performance in discovering the optimal solutions to difficult optimization problems, but it has weak local search ability and easily plunges into local optimum. In this paper, we introduce the chemotactic behavior of Bacterial Foraging Optimization into employed bees and adopt the principle of moving the particles toward the best solutions in the particle swarm optimization to improve the global search ability of onlooker bees and gain a hybrid artificial bee colony (HABC algorithm. To obtain a global optimal solution efficiently, we make HABC algorithm converge rapidly in the early stages of the search process, and the search range contracts dynamically during the late stages. Our experimental results on 16 benchmark functions of CEC 2014 show that HABC achieves significant improvement at accuracy and convergence rate, compared with the standard ABC, best-so-far ABC, directed ABC, Gaussian ABC, improved ABC, and memetic ABC algorithms.

  8. Hybrid Optimization Algorithm of Particle Swarm Optimization and Cuckoo Search for Preventive Maintenance Period Optimization

    Directory of Open Access Journals (Sweden)

    Jianwen Guo

    2016-01-01

    Full Text Available All equipment must be maintained during its lifetime to ensure normal operation. Maintenance is one of the critical roles in the success of manufacturing enterprises. This paper proposed a preventive maintenance period optimization model (PMPOM to find an optimal preventive maintenance period. By making use of the advantages of particle swarm optimization (PSO and cuckoo search (CS algorithm, a hybrid optimization algorithm of PSO and CS is proposed to solve the PMPOM problem. The test functions show that the proposed algorithm exhibits more outstanding performance than particle swarm optimization and cuckoo search. Experiment results show that the proposed algorithm has advantages of strong optimization ability and fast convergence speed to solve the PMPOM problem.

  9. Delay-area trade-off for MPRM circuits based on hybrid discrete particle swarm optimization

    Institute of Scientific and Technical Information of China (English)

    Jiang Zhidi; Wang Zhenhai; Wang Pengjun

    2013-01-01

    Polarity optimization for mixed polarity Reed-Muller (MPRM) circuits is a combinatorial issue.Based on the study on discrete particle swarm optimization (DPSO) and mixed polarity,the corresponding relation between particle and mixed polarity is established,and the delay-area trade-off of large-scale MPRM circuits is proposed.Firstly,mutation operation and elitist strategy in genetic algorithm are incorporated into DPSO to further develop a hybrid DPSO (HDPSO).Then the best polarity for delay and area trade-off is searched for large-scale MPRM circuits by combining the HDPSO and a delay estimation model.Finally,the proposed algorithm is testified by MCNC Benchmarks.Experimental results show that HDPSO achieves a better convergence than DPSO in terms of search capability for large-scale MPRM circuits.

  10. Magnetic properties of hybrid elastomers with magnetically hard fillers: rotation of particles

    Science.gov (United States)

    Stepanov, G. V.; Borin, D. Yu; Bakhtiiarov, A. V.; Storozhenko, P. A.

    2017-03-01

    Hybrid magnetic elastomers belonging to the family of magnetorheological elastomers contain magnetically hard components and are of the utmost interest for the development of semiactive and active damping devices as well as actuators and sensors. The processes of magnetizing of such elastomers are accompanied by structural rearrangements inside the material. When magnetized, the elastomer gains its own magnetic moment resulting in changes of its magneto-mechanical properties, which remain permanent, even in the absence of external magnetic fields. Influenced by the magnetic field, magnetized particles move inside the matrix forming chain-like structures. In addition, the magnetically hard particles can rotate to align their magnetic moments with the new direction of the external field. Such an elastomer cannot be demagnetized by the application of a reverse field.

  11. Polymethacrylate monolithic and hybrid particle-monolithic columns for reversed-phase and hydrophilic interaction capillary liquid chromatography.

    Science.gov (United States)

    Jandera, Pavel; Urban, Jirí; Skeríková, Veronika; Langmaier, Pavel; Kubícková, Romana; Planeta, Josef

    2010-01-01

    We prepared hybrid particle-monolithic polymethacrylate columns for micro-HPLC by in situ polymerization in fused silica capillaries pre-packed with 3-5microm C(18) and aminopropyl silica bonded particles, using polymerization mixtures based on laurylmethacrylate-ethylene dimethacrylate (co)polymers for the reversed-phase (RP) mode and [2-(methacryloyloxy)ethyl]-dimethyl-(3-sulfopropyl) zwitterionic (co)polymers for the hydrophilic interaction (HILIC) mode. The hybrid particle-monolithic columns showed reduced porosity and hold-up volumes, approximately 2-2.5 times lower in comparison to the pure monolithic columns prepared in the whole volume of empty capillaries. The elution volumes of sample compounds are also generally lower in comparison to packed or pure monolithic columns. The efficiency and permeability of the hybrid columns are intermediate in between the properties of the reference pure monolithic and particle-packed columns. The chemistries of the embedded solid particles and of the interparticle monolithic moiety in the hybrid capillary columns contribute to the retention to various degrees, affecting the selectivity of separation. Some hybrid columns provided improved separations of proteins in comparison to the reference particle-packed columns in the reversed-phase mode. Zwitterionic hybrid particle-monolithic columns show dual mode retention HILIC/RP behaviour depending on the composition of the mobile phase and allow separations of polar compounds such as phenolic acids in the HILIC mode at lower concentrations of acetonitrile and, often in shorter analysis time in comparison to particle-packed and full-volume monolithic columns.

  12. Aminopropyl-Silica Hybrid Particles as Supports for Humic Acids Immobilization

    Directory of Open Access Journals (Sweden)

    Mónika Sándor

    2016-01-01

    Full Text Available A series of aminopropyl-functionalized silica nanoparticles were prepared through a basic two step sol-gel process in water. Prior to being aminopropyl-functionalized, silica particles with an average diameter of 549 nm were prepared from tetraethyl orthosilicate (TEOS, using a Stöber method. In a second step, aminopropyl-silica particles were prepared by silanization with 3-aminopropyltriethoxysilane (APTES, added drop by drop to the sol-gel mixture. The synthesized amino-functionalized silica particles are intended to be used as supports for immobilization of humic acids (HA, through electrostatic bonds. Furthermore, by inserting beside APTES, unhydrolysable mono-, di- or trifunctional alkylsilanes (methyltriethoxy silane (MeTES, trimethylethoxysilane (Me3ES, diethoxydimethylsilane (Me2DES and 1,2-bis(triethoxysilylethane (BETES onto silica particles surface, the spacing of the free amino groups was intended in order to facilitate their interaction with HA large molecules. Two sorts of HA were used for evaluating the immobilization capacity of the novel aminosilane supports. The results proved the efficient functionalization of silica nanoparticles with amino groups and showed that the immobilization of the two tested types of humic acid substances was well achieved for all the TEOS/APTES = 20/1 (molar ratio silica hybrids having or not having the amino functions spaced by alkyl groups. It was shown that the density of aminopropyl functions is low enough at this low APTES fraction and do not require a further spacing by alkyl groups. Moreover, all the hybrids having negative zeta potential values exhibited low interaction with HA molecules.

  13. Interplanetary particle transport simulation for warning system for aviation exposure to solar energetic particles

    CERN Document Server

    Kubo, Yûki; Sato, Tatsuhiko

    2015-01-01

    Solar energetic particles (SEPs) are one of the extreme space weather phenomena. A huge SEP event increases the radiation dose received by aircrews, who should be warned of such events as early as possible. We developed a warning system for aviation exposure to SEPs. This article describes one component of the system, which calculates the temporal evolution of the SEP intensity and the spectrum immediately outside the terrestrial magnetosphere. To achieve this, we performed numerical simulations of SEP transport in interplanetary space, in which interplanetary SEP transport is described by the focused transport equation. We developed a new simulation code to solve the equation using a set of stochastic differential equations. In the code, the focused transport equation is expressed in a magnetic field line coordinate system, which is a non-orthogonal curvilinear coordinate system. An inverse Gaussian distribution is employed as the injection profile of SEPs at an inner boundary located near the Sun. We applie...

  14. Reduction Methods for Real-time Simulations in Hybrid Testing

    DEFF Research Database (Denmark)

    Andersen, Sebastian

    2016-01-01

    Hybrid testing constitutes a cost-effective experimental full scale testing method. The method was introduced in the 1960's by Japanese researchers, as an alternative to conventional full scale testing and small scale material testing, such as shake table tests. The principle of the method...... is to divide a structure into a physical substructure and a numerical substructure, and couple these in a test. If the test is conducted in real-time it is referred to as real time hybrid testing. The hybrid testing concept has developed significantly since its introduction in the 1960', both with respect...... without introducing further unknowns into the system. The basis formulation is shown to exhibit high precision and to reduce the computational cost significantly. Furthermore, the basis formulation exhibits a significant higher stability, than standard nonlinear algorithms. A real-time hybrid test...

  15. A New Hybrid Scheme for Simulations of Highly Collisional RF-Driven Plasmas

    CERN Document Server

    Eremin, Denis; Mussenbrock, Thomas

    2015-01-01

    This work describes a new 1D hybrid approach for modeling atmospheric pressure discharges featuring complex chemistry. In this approach electrons are described fully kinetically using Particle-In-Cell/Monte-Carlo (PIC/MCC) scheme, whereas the heavy species are modeled within a fluid description. Validity of the popular drift-diffusion approximation is verified against a "full" fluid model accounting for the ion inertia and a fully kinetic PIC/MCC code for ions as well as electrons. The fluid models require knowledge of the momentum exchange frequency and dependence of the ion mobilities on the electric field when the ions are in equilibrium with the latter. To this end an auxiliary Monte-Carlo scheme is constructed. It is demonstrated that the drift-diffusion approximation can overestimate ion transport in simulations of RF-driven discharges with heavy ion species operated in the $\\gamma$ mode at the atmospheric pressure or in all discharge simulations for lower pressures. This can lead to exaggerated plasma ...

  16. High-resolution hybrid simulations of kinetic plasma turbulence at proton scales

    CERN Document Server

    Franci, Luca; Matteini, Lorenzo; Verdini, Andrea; Hellinger, Petr

    2015-01-01

    We investigate properties of plasma turbulence from magneto-hydrodynamic (MHD) to sub-ion scales by means of two-dimensional, high-resolution hybrid particle-in-cell simulations. We impose an initial ambient magnetic field, perpendicular to the simulation box, and we add a spectrum of large-scale magnetic and kinetic fluctuations, with energy equipartition and vanishing correlation. Once the turbulence is fully developed, we observe a MHD inertial range, where the spectra of the perpendicular magnetic field and the perpendicular proton bulk velocity fluctuations exhibit power-law scaling with spectral indices of -5/3 and -3/2, respectively. This behavior is extended over a full decade in wavevectors and is very stable in time. A transition is observed around proton scales. At sub-ion scales, both spectra steepen, with the former still following a power law with a spectral index of ~-3. A -2.8 slope is observed in the density and parallel magnetic fluctuations, highlighting the presence of compressive effects ...

  17. Influence of wall motion on particle sedimentation using hybrid LB-IBM scheme

    Science.gov (United States)

    Habte, Mussie A.; Wu, ChuiJie

    2017-03-01

    We integrate the lattice Boltzmann method (LBM) and immersed boundary method (IBM) to capture the coupling between a rigid boundary surface and the hydrodynamic response of an enclosed particle laden fluid. We focus on a rigid box filled with a Newtonian fluid where the drag force based on the slip velocity at the wall and settling particles induces the interaction. We impose an external harmonic oscillation on the system boundary and found interesting results in the sedimentation behavior. Our results reveal that the sedimentation and particle locations are sensitive to the boundary walls oscillation amplitude and the subsequent changes on the enclosed flow field. Two different particle distribution analyses were performed and showed the presence of an agglomerate structure of particles. Despite the increase in the amplitude of wall motion, the turbulence level of the flow field and distribution of particles are found to be less in quantity compared to the stationary walls. The integrated LBM-IBM methodology promised the prospect of an efficient and accurate dynamic coupling between a non-compliant bounding surface and flow field in a wide-range of systems. Understanding the dynamics of the fluid-filled box can be particularly important in a simulation of particle deposition within biological systems and other engineering applications.

  18. A study on optimization of hybrid drive train using Advanced Vehicle Simulator (ADVISOR)

    Science.gov (United States)

    Same, Adam; Stipe, Alex; Grossman, David; Park, Jae Wan

    This study investigates the advantages and disadvantages of three hybrid drive train configurations: series, parallel, and "through-the-ground" parallel. Power flow simulations are conducted with the MATLAB/Simulink-based software ADVISOR. These simulations are then applied in an application for the UC Davis SAE Formula Hybrid vehicle. ADVISOR performs simulation calculations for vehicle position using a combined backward/forward method. These simulations are used to study how efficiency and agility are affected by the motor, fuel converter, and hybrid configuration. Three different vehicle models are developed to optimize the drive train of a vehicle for three stages of the SAE Formula Hybrid competition: autocross, endurance, and acceleration. Input cycles are created based on rough estimates of track geometry. The output from these ADVISOR simulations is a series of plots of velocity profile and energy storage State of Charge that provide a good estimate of how the Formula Hybrid vehicle will perform on the given course. The most noticeable discrepancy between the input cycle and the actual velocity profile of the vehicle occurs during deceleration. A weighted ranking system is developed to organize the simulation results and to determine the best drive train configuration for the Formula Hybrid vehicle. Results show that the through-the-ground parallel configuration with front-mounted motors achieves an optimal balance of efficiency, simplicity, and cost. ADVISOR is proven to be a useful tool for vehicle power train design for the SAE Formula Hybrid competition. This vehicle model based on ADVISOR simulation is applicable to various studies concerning performance and efficiency of hybrid drive trains.

  19. A study on optimization of hybrid drive train using Advanced Vehicle Simulator (ADVISOR)

    Energy Technology Data Exchange (ETDEWEB)

    Same, Adam; Stipe, Alex; Grossman, David; Park, Jae Wan [Department of Mechanical and Aeronautical Engineering, University of California, Davis, One Shields Ave, Davis, CA 95616 (United States)

    2010-10-01

    This study investigates the advantages and disadvantages of three hybrid drive train configurations: series, parallel, and ''through-the-ground'' parallel. Power flow simulations are conducted with the MATLAB/Simulink-based software ADVISOR. These simulations are then applied in an application for the UC Davis SAE Formula Hybrid vehicle. ADVISOR performs simulation calculations for vehicle position using a combined backward/forward method. These simulations are used to study how efficiency and agility are affected by the motor, fuel converter, and hybrid configuration. Three different vehicle models are developed to optimize the drive train of a vehicle for three stages of the SAE Formula Hybrid competition: autocross, endurance, and acceleration. Input cycles are created based on rough estimates of track geometry. The output from these ADVISOR simulations is a series of plots of velocity profile and energy storage State of Charge that provide a good estimate of how the Formula Hybrid vehicle will perform on the given course. The most noticeable discrepancy between the input cycle and the actual velocity profile of the vehicle occurs during deceleration. A weighted ranking system is developed to organize the simulation results and to determine the best drive train configuration for the Formula Hybrid vehicle. Results show that the through-the-ground parallel configuration with front-mounted motors achieves an optimal balance of efficiency, simplicity, and cost. ADVISOR is proven to be a useful tool for vehicle power train design for the SAE Formula Hybrid competition. This vehicle model based on ADVISOR simulation is applicable to various studies concerning performance and efficiency of hybrid drive trains. (author)

  20. Preparation and characterization of TiO 2-cationic hybrid nanoparticles as electrophoretic particles

    Science.gov (United States)

    Li, Jingjing; Deng, Liandong; Xing, Jinfeng; Dong, Anjie; Li, Xianggao

    2012-01-01

    The hybrid nanoparticles (TiO2-HNPs) with TiO2 nanoparticles as core and with poly(N,N-dimethylaminoethyl methacrylate-co-methyl methacrylate) by using triallylamine as cross-linking agent as shell were firstly prepared via atom transfer radical polymerization (ATRP) in methanol. Then the hybrid nanoparticles with positive charge were produced by the quaternization with methyl iodide as quaternization reagent so as to endow them with greater electrophoretic mobility. The cationic hybrid nanoparticles (TiO2-CHNPs) were studied by means of transmission electron microscopy (TEM), scanning electron microscopy (SEM), Fourier-transform infrared (FTIR) spectroscopy and dynamic light scattering (DLS) measurements. The results indicate that the cationic polymer is successfully grafted on the surface of the TiO2 nanoparticles. The particle size of TiO2-CHNPs is about 150 nm and the polydispersity index (PDI) is 0.307. The zeta potential, the contrast ratio of white state to dark state and response time of TiO2-CHNPs are +16.8 mV, 30 and 3 s, respectively, which show the potential application prospect in the development of electrophoretic ink.

  1. Short-Term Wind Power Forecasting Using the Enhanced Particle Swarm Optimization Based Hybrid Method

    Directory of Open Access Journals (Sweden)

    Wen-Yeau Chang

    2013-09-01

    Full Text Available High penetration of wind power in the electricity system provides many challenges to power system operators, mainly due to the unpredictability and variability of wind power generation. Although wind energy may not be dispatched, an accurate forecasting method of wind speed and power generation can help power system operators reduce the risk of an unreliable electricity supply. This paper proposes an enhanced particle swarm optimization (EPSO based hybrid forecasting method for short-term wind power forecasting. The hybrid forecasting method combines the persistence method, the back propagation neural network, and the radial basis function (RBF neural network. The EPSO algorithm is employed to optimize the weight coefficients in the hybrid forecasting method. To demonstrate the effectiveness of the proposed method, the method is tested on the practical information of wind power generation of a wind energy conversion system (WECS installed on the Taichung coast of Taiwan. Comparisons of forecasting performance are made with the individual forecasting methods. Good agreements between the realistic values and forecasting values are obtained; the test results show the proposed forecasting method is accurate and reliable.

  2. CROWDED HYBRID PANEL MANUFACTURED WITH PEANUT HULLS REINFORCED WITH ITAÚBA WOOD PARTICLES

    Directory of Open Access Journals (Sweden)

    Guilherme Barbirato

    2014-09-01

    Full Text Available http://dx.doi.org/10.5902/1980509815726In this paper, it was considered the study of the potential use of peanut hulls and wood particles of itaúba (Mezilaurus itauba species in order to add value to these materials through the manufacture of hybrid particle board in order to compare the physical and mechanical performances as well as durability. For these procedures, it was used the bi-component polyurethane resin based on castor beans (mammon oil and urea-formaldehyde. The product quality was evaluated based on the requirements of the standards NBR 14.810:2006 APA PRP and 108, through physico-mechanical and microstructural durability. The results indicate that the incorporation of wood particles warrants an increase in physical-mechanical properties of the particleboard manufactured with peanut hulls, the polyurethane resin based on castor oil was effective as a particle adhesive binder and the durability assay indicated that the material should be used under conditions of low exposure to moisture.

  3. Confocal Raman Microscopy of Hybrid-Supported Phospholipid Bilayers within Individual C18-Functionalized Chromatographic Particles.

    Science.gov (United States)

    Kitt, Jay P; Harris, Joel M

    2016-09-01

    Measuring lipid-membrane partitioning of small molecules is critical to predicting bioavailability and investigating molecule-membrane interactions. A stable model membrane for such studies has been developed through assembly of a phospholipid monolayer on n-alkane-modified surfaces. These hybrid bilayers have recently been generated within n-alkyl-chain (C18)-modified porous silica and used in chromatographic retention studies of small molecules. Despite their successful application, determining the structure of hybrid bilayers within chromatographic silica is challenging because they reside at buried interfaces within the porous structure. In this work, we employ confocal Raman microscopy to investigate the formation and temperature-dependent structure of hybrid-phospholipid bilayers in C18-modified, porous-silica chromatographic particles. Porous silica provides sufficient surface area within a confocal probe volume centered in an individual particle to readily measure, with Raman microscopy, the formation of an ordered hybrid bilayer of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) with the surface C18 chains. The DMPC surface density was quantified from the relative Raman scattering intensities of C18 and phospholipid acyl chains and found to be ∼40% of a DMPC vesicle membrane. By monitoring Raman spectra acquired versus temperature, the bilayer main phase transition was observed to be broadened and shifted to higher temperature compared to a DMPC vesicle, in agreement with differential scanning calorimetry (DSC) results. Raman scattering of deuterated phospholipid was resolved from protonated C18 chain scattering, showing that the lipid acyl and C18 chains melt simultaneously in a single phase transition. The surface density of lipid in the hybrid bilayer, the ordering of both C18 and lipid acyl chains upon bilayer formation, and decoupling of C18 methylene C-H vibrations by deuterated lipid acyl chains all suggest an interdigitated acyl chain

  4. Linear interfacial polymerization: theory and simulations with dissipative particle dynamics.

    Science.gov (United States)

    Berezkin, Anatoly V; Kudryavtsev, Yaroslav V

    2014-11-21

    Step-growth alternating interfacial polymerization between two miscible or immiscible monomer melts is investigated theoretically and by dissipative particle dynamics simulations. In both cases the kinetics for an initially bilayer system passes from the reaction to diffusion control. The polymer composed of immiscible monomers precipitates at the interface forming a film of nearly uniform density. It is demonstrated that the reaction proceeds in a narrow zone, which expands much slower than the whole film, so that newly formed polymer is extruded from the reaction zone. This concept of "reactive extrusion" is used to analytically predict the degree of polymerization and distribution of all components (monomers, polymer, and end groups) within the film in close agreement with the simulations. Increasing the comonomer incompatibility leads to thinner and more uniform films with the higher average degree of polymerization. The final product is considerably more polydisperse than expected for the homogeneous step-growth polymerization. The results extend the previous theoretical reports on interfacial polymerization and provide new insights into the internal film structure and polymer characteristics, which are important for membrane preparation, microencapsulation, and 3D printing technologies. A systematic way of mapping the simulation data onto laboratory scales is discussed.

  5. Hybrid Bacterial Foraging and Particle Swarm Optimization for detecting Bundle Branch Block.

    Science.gov (United States)

    Kora, Padmavathi; Kalva, Sri Ramakrishna

    2015-01-01

    Abnormal cardiac beat identification is a key process in the detection of heart diseases. Our present study describes a procedure for the detection of left and right bundle branch block (LBBB and RBBB) Electrocardiogram (ECG) patterns. The electrical impulses that control the cardiac beat face difficulty in moving inside the heart. This problem is termed as bundle branch block (BBB). BBB makes it harder for the heart to pump blood effectively through the heart circulatory system. ECG feature extraction is a key process in detecting heart ailments. Our present study comes up with a hybrid method combining two heuristic optimization methods: Bacterial Forging Optimization (BFO) and Particle Swarm Optimization (PSO) for the feature selection of ECG signals. One of the major controlling forces of BFO algorithm is the chemotactic movement of a bacterium that models a test solution. The chemotaxis process of the BFO depends on random search directions which may lead to a delay in achieving the global optimum solution. The hybrid technique: Bacterial Forging-Particle Swarm Optimization (BFPSO) incorporates the concepts from BFO and PSO and it creates individuals in a new generation. This BFPSO method performs local search through the chemotactic movement of BFO and the global search over the entire search domain is accomplished by a PSO operator. The BFPSO feature values are given as the input for the Levenberg-Marquardt Neural Network classifier.

  6. Fabrication of a TiO2@porphyrin nanofiber hybrid material: a highly efficient photocatalyst under simulated sunlight irradiation

    Science.gov (United States)

    La, Duong Duc; Rananaware, Anushri; Phuong Nguyen Thi, Hoai; Jones, Lathe; Bhosale, Sheshanath V.

    2017-03-01

    The solar spectrum consists of 8% UV radiation, while 45% of solar energy is from visible light. It is therefore desirable to fabricate a hybrid material which is able to harvest energy from a wide range of photons from the sun for applications such as solar cells, photovoltaics, and photocatalysis. In this study we report on the fabrication of a TiO2@porphyrin hybrid material by surfactant-assisted co-assembly of monomeric porphyrin molecules with TiO2 nanoparticles. The obtained TiO2@porphyrin composite shows excellent integration of TiO2 particles with diameters of 15–30 nm into aggregated porphyrin nanofibers, which have a width of 70–90 nm and are several µm long. SEM, XPS, XRD, FTIR, UV–Vis and fluorescence spectroscopy were employed to characterize the TiO2@TCPP hybrid material. This material exhibits efficient photocatalytic performance under simulated sunlight, due to synergistic photocatalytic activities of the porphyrin aggregates in visible light and TiO2 particles in the UV region. A plausible mechanism for photocatalytic degradation is also proposed and discussed.

  7. Efficient Methods for Handling Long-Range Forces in Particle-Particle Simulations

    CERN Document Server

    Fangohr, H; Cox, S J; De Groot, R A; Daniell, G J; Fangohr, Hans; Price, Andrew R.; Cox, Simon J.; Groot, Peter A.J. de; Daniell, Geoffrey J.

    2000-01-01

    A number of problems arise when long-range forces, such as those governed by Bessel functions, are used in particle-particle simulations. If a simple cut-off for the interaction is used, the system may find an equilibrium configuration at zero temperature that is not a regular lattice yet has an energy lower than the theoretically predicted minimum for the physical system. We demonstrate two methods to overcome these problems in Monte Carlo and molecular dynamics simulations. The first uses a smoothed potential to truncate the interaction in a single unit cell: this is appropriate for phenomenological characterisations, but may be applied to any potential. The second is a new method for summing the unmodified potential in an infinitely tiled periodic system, which is in excess of 20,000 times faster than previous naive methods which add periodic images in shells of increasing radius: this is suitable for quantitative studies. Finally we show that numerical experiments which do not handle the long-range force ...

  8. Four-way coupled simulations of small particles in turbulent channel flow: The effects of particle shape and Stokes number

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, F.; Wachem, B. G. M. van, E-mail: berend.van.wachem@gmail.com [Division of Thermofluids, Department of Mechanical Engineering, Imperial College, London SW7 2AZ (United Kingdom); George, W. K. [Department of Aeronautics, Imperial College, London SW7 2AZ (United Kingdom)

    2015-08-15

    This paper investigates the effects of particle shape and Stokes number on the behaviour of non-spherical particles in turbulent channel flow. Although there are a number of studies concerning spherical particles in turbulent flows, most important applications occurring in process, energy, and pharmaceutical industries deal with non-spherical particles. The computation employs a unique and novel four-way coupling with the Lagrangian point-particle approach. The fluid phase at low Reynolds number (Re{sub τ} = 150) is modelled by direct numerical simulation, while particles are tracked individually. Inter-particle and particle-wall collisions are also taken into account. To explore the effects of particles on the flow turbulence, the statistics of the fluid flow such as the fluid velocity, the terms in the turbulence kinetic energy equation, the slip velocity between the two phases and velocity correlations are analysed considering ellipsoidal particles with different inertia and aspect ratio. The results of the simulations show that the turbulence is considerably attenuated, even in the very dilute regime. The reduction of the turbulence intensity is predominant near the turbulence kinetic energy peak in the near wall region, where particles preferentially accumulate. Moreover, the elongated shape of ellipsoids strengthens the turbulence attenuation. In simulations with ellipsoidal particles, the fluid-particle interactions strongly depend on the orientation of the ellipsoids. In the near wall region, ellipsoids tend to align predominantly within the streamwise (x) and wall-normal (y) planes and perpendicular to the span-wise direction, whereas no preferential orientation in the central region of the channel is observed. Important conclusions from this work include the effective viscosity of the flow is not affected, the direct dissipation by the particles is negligible, and the primary mechanism by which the particles affect the flow is by altering the turbulence

  9. Hybrid statistics-simulations based method for atom-counting from ADF STEM images.

    Science.gov (United States)

    De Wael, Annelies; De Backer, Annick; Jones, Lewys; Nellist, Peter D; Van Aert, Sandra

    2017-01-25

    A hybrid statistics-simulations based method for atom-counting from annular dark field scanning transmission electron microscopy (ADF STEM) images of monotype crystalline nanostructures is presented. Different atom-counting methods already exist for model-like systems. However, the increasing relevance of radiation damage in the study of nanostructures demands a method that allows atom-counting from low dose images with a low signal-to-noise ratio. Therefore, the hybrid method directly includes prior knowledge from image simulations into the existing statistics-based method for atom-counting, and accounts in this manner for possible discrepancies between actual and simulated experimental conditions. It is shown by means of simulations and experiments that this hybrid method outperforms the statistics-based method, especially for low electron doses and small nanoparticles. The analysis of a simulated low dose image of a small nanoparticle suggests that this method allows for far more reliable quantitative analysis of beam-sensitive materials.

  10. Single-Particle Cryo-EM and 3D Reconstruction of Hybrid Nanoparticles with Electron-Dense Components.

    Science.gov (United States)

    Yu, Guimei; Yan, Rui; Zhang, Chuan; Mao, Chengde; Jiang, Wen

    2015-10-01

    Single-particle cryo-electron microscopy (cryo-EM), accompanied with 3D reconstruction, is a broadly applicable tool for the structural characterization of macromolecules and nanoparticles. Recently, the cryo-EM field has pushed the limits of this technique to higher resolutions and samples of smaller molecular mass, however, some samples still present hurdles to this technique. Hybrid particles with electron-dense components, which have been studied using single-particle cryo-EM yet with limited success in 3D reconstruction due to the interference caused by electron-dense elements, constitute one group of such challenging samples. To process such hybrid particles, a masking method is developed in this work to adaptively remove pixels arising from electron-dense portions in individual projection images while maintaining maximal biomass signals for subsequent 2D alignment, 3D reconstruction, and iterative refinements. As demonstrated by the success in 3D reconstruction of an octahedron DNA/gold hybrid particle, which has been previously published without a 3D reconstruction, the devised strategy that combines adaptive masking and standard single-particle 3D reconstruction approach has overcome the hurdle of electron-dense elements interference, and is generally applicable to cryo-EM structural characterization of most, if not all, hybrid nanomaterials with electron-dense components.

  11. Metal diffusion in smoothed particle hydrodynamics simulations of dwarf galaxies

    CERN Document Server

    Williamson, David John; Kawata, Daisuke

    2016-01-01

    We perform a series of smoothed particle hydrodynamics simulations of isolated dwarf galaxies to compare different metal mixing models. In particular, we examine the role of diffusion in the production of enriched outflows, and in determining the metallicity distributions of gas and stars. We investigate different diffusion strengths, by changing the pre-factor of the diffusion coefficient, by varying how the diffusion coefficient is calculated from the local velocity distribution, and by varying whether the speed of sound is included as a velocity term. Stronger diffusion produces a tighter [O/Fe]-[Fe/H] distribution in the gas, and cuts off the gas metallicity distribution function at lower metallicities. Diffusion suppresses the formation of low-metallicity stars, even with weak diffusion, and also strips metals from enriched outflows. This produces a remarkably tight correlation between "metal mass-loading" (mean metal outflow rate divided by mean metal production rate) and the strength of diffusion, even...

  12. SPHGal: Smoothed Particle Hydrodynamics with improved accuracy for Galaxy simulations

    CERN Document Server

    Hu, Chia-Yu; Walch, Stefanie; Moster, Benjamin P; Oser, Ludwig

    2014-01-01

    We present the smoothed-particle hydrodynamics implementation SPHGal which incorporates several recent developments into the GADGET code. This includes a pressure-entropy formulation of SPH with a Wendland kernel, a higher order estimate of velocity gradients, a modified artificial viscosity switch with a strong limiter, and artificial conduction of thermal energy. We conduct a series of idealized hydrodynamic tests and show that while the pressure-entropy formulation is ideal for resolving fluid mixing at contact discontinuities, it performs conspicuously worse when strong shocks are involved due to the large entropy discontinuities. Including artificial conduction at shocks greatly improves the results. The Kelvin-Helmholtz instability can be resolved properly and dense clouds in the blob test dissolve qualitatively in agreement with other improved SPH implementations. We further perform simulations of an isolated Milky Way like disk galaxy and find a feedback-induced instability developing if too much arti...

  13. Simulations of dolphin kick swimming using smoothed particle hydrodynamics.

    Science.gov (United States)

    Cohen, Raymond C Z; Cleary, Paul W; Mason, Bruce R

    2012-06-01

    In competitive human swimming the submerged dolphin kick stroke (underwater undulatory swimming) is utilized after dives and turns. The optimal dolphin kick has a balance between minimizing drag and maximizing thrust while also minimizing the physical exertion required of the swimmer. In this study laser scans of athletes are used to provide realistic swimmer geometries in a single anatomical pose. These are rigged and animated to closely match side-on video footage. Smoothed Particle Hydrodynamics (SPH) fluid simulations are performed to evaluate variants of this swimming stroke technique. This computational approach provides full temporal and spatial information about the flow moving around the deforming swimmer model. The effects of changes in ankle flexibility and stroke frequency are investigated through a parametric study. The results suggest that the net streamwise force on the swimmer is relatively insensitive to ankle flexibility but is strongly dependent on kick frequency.

  14. Particle-In-Cell Simulation of RFQ in SSC - Linac

    CERN Document Server

    Chen, Xiao; You-Jin, Yuan; Yong, Liu; Jia-Wen, Xia; Yuan-Rong, Lu; Batygin, Yuri

    2010-01-01

    A 52MHz Radio Frequency Quadrupole (RFQ) linear accelerator (linac) is designed to serve as an initial structure for the SSC-linac system (injector into Separated Sector Cyclotron). The designed injection and output energy are 3.5 keV/u and 143 keV/u, respectively. Beam dynamics study in RFQ was done using 3-dimensional particle-in-cell code BEAMPATH [1]. Simulation results show that this RFQ structure is characterized by stable value of beam transmission efficiency (at least 95%) for both zero-current mode and for space charge dominated regime. The beam accelerated in RFQ has good quality in both transversal and longitudinal directions, and could be easily accepted by Drift Tube Linac (DTL). Effects of vane errors and of the space charge on beam parameters are studied as well to define the engineering tolerance for RFQ vane machining and alignment.

  15. Simulated annealing: an application in fine particle magnetism

    Energy Technology Data Exchange (ETDEWEB)

    Legeratos, A.; Chantrell, R.W.; Wohlfarth, E.P.

    1985-07-01

    Using a model of a system of interacting fine ferromagnetic particles, a computer simulation of the dynamical approach to local or global minima of the system is developed for two different schedules of the application of ac and dc magnetic fields. The process of optimization, i.e., the achievement of a global minimum, depends on the rate of reduction of the ac field and on the symmetry of the ac field cycles. The calculations carried out to illustrate these effects include remanence curves and the zero field remanence for both schedules under different conditions. The growth of the magnetization during these processes was studied, and the interaction energy was calculated to best illustrate the optimization.

  16. Characteristics of the mixing volume model with the interactions among spatially distributed particles for Lagrangian simulations of turbulent mixing

    Science.gov (United States)

    Watanabe, Tomoaki; Nagata, Koji

    2016-11-01

    The mixing volume model (MVM), which is a mixing model for molecular diffusion in Lagrangian simulations of turbulent mixing problems, is proposed based on the interactions among spatially distributed particles in a finite volume. The mixing timescale in the MVM is derived by comparison between the model and the subgrid scale scalar variance equation. A-priori test of the MVM is conducted based on the direct numerical simulations of planar jets. The MVM is shown to predict well the mean effects of the molecular diffusion under various conditions. However, a predicted value of the molecular diffusion term is positively correlated to the exact value in the DNS only when the number of the mixing particles is larger than two. Furthermore, the MVM is tested in the hybrid implicit large-eddy-simulation/Lagrangian-particle-simulation (ILES/LPS). The ILES/LPS with the present mixing model predicts well the decay of the scalar variance in planar jets. This work was supported by JSPS KAKENHI Nos. 25289030 and 16K18013. The numerical simulations presented in this manuscript were carried out on the high performance computing system (NEC SX-ACE) in the Japan Agency for Marine-Earth Science and Technology.

  17. Modeling solar energetic particle events using ENLIL heliosphere simulations

    Science.gov (United States)

    Luhmann, J. G.; Mays, M. L.; Odstrcil, D.; Li, Yan; Bain, H.; Lee, C. O.; Galvin, A. B.; Mewaldt, R. A.; Cohen, C. M. S.; Leske, R. A.; Larson, D.; Futaana, Y.

    2017-07-01

    Solar energetic particle (SEP) event modeling has gained renewed attention in part because of the availability of a decade of multipoint measurements from STEREO and L1 spacecraft at 1 AU. These observations are coupled with improving simulations of the geometry and strength of heliospheric shocks obtained by using coronagraph images to send erupted material into realistic solar wind backgrounds. The STEREO and ACE measurements in particular have highlighted the sometimes surprisingly widespread nature of SEP events. It is thus an opportune time for testing SEP models, which typically focus on protons 1-100 MeV, toward both physical insight to these observations and potentially useful space radiation environment forecasting tools. Some approaches emphasize the concept of particle acceleration and propagation from close to the Sun, while others emphasize the local field line connection to a traveling, evolving shock source. Among the latter is the previously introduced SEPMOD treatment, based on the widely accessible and well-exercised WSA-ENLIL-cone model. SEPMOD produces SEP proton time profiles at any location within the ENLIL domain. Here we demonstrate a SEPMOD version that accommodates multiple, concurrent shock sources occurring over periods of several weeks. The results illustrate the importance of considering longer-duration time periods and multiple CME contributions in analyzing, modeling, and forecasting SEP events.

  18. Simulations of Relativistic Collisionless Shocks: Shock Structure and Particle Acceleration

    Energy Technology Data Exchange (ETDEWEB)

    Spitkovsky, Anatoly; /KIPAC, Menlo Park

    2006-04-10

    We discuss 3D simulations of relativistic collisionless shocks in electron-positron pair plasmas using the particle-in-cell (PIC) method. The shock structure is mainly controlled by the shock's magnetization (''sigma'' parameter). We demonstrate how the structure of the shock varies as a function of sigma for perpendicular shocks. At low magnetizations the shock is mediated mainly by the Weibel instability which generates transient magnetic fields that can exceed the initial field. At larger magnetizations the shock is dominated by magnetic reflections. We demonstrate where the transition occurs and argue that it is impossible to have very low magnetization collisionless shocks in nature (in more than one spatial dimension). We further discuss the acceleration properties of these shocks, and show that higher magnetization perpendicular shocks do not efficiently accelerate nonthermal particles in 3D. Among other astrophysical applications, this may pose a restriction on the structure and composition of gamma-ray bursts and pulsar wind outflows.

  19. SciDAC Center for Gyrokinetic Particle Simulation of Turbulent Transport in Burning Plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Zhihong [Univ. of California, Irvine, CA (United States)

    2013-12-18

    During the first year of the SciDAC gyrokinetic particle simulation (GPS) project, the GPS team (Zhihong Lin, Liu Chen, Yasutaro Nishimura, and Igor Holod) at the University of California, Irvine (UCI) studied the tokamak electron transport driven by electron temperature gradient (ETG) turbulence, and by trapped electron mode (TEM) turbulence and ion temperature gradient (ITG) turbulence with kinetic electron effects, extended our studies of ITG turbulence spreading to core-edge coupling. We have developed and optimized an elliptic solver using finite element method (FEM), which enables the implementation of advanced kinetic electron models (split-weight scheme and hybrid model) in the SciDAC GPS production code GTC. The GTC code has been ported and optimized on both scalar and vector parallel computer architectures, and is being transformed into objected-oriented style to facilitate collaborative code development. During this period, the UCI team members presented 11 invited talks at major national and international conferences, published 22 papers in peer-reviewed journals and 10 papers in conference proceedings. The UCI hosted the annual SciDAC Workshop on Plasma Turbulence sponsored by the GPS Center, 2005-2007. The workshop was attended by about fifties US and foreign researchers and financially sponsored several gradual students from MIT, Princeton University, Germany, Switzerland, and Finland. A new SciDAC postdoc, Igor Holod, has arrived at UCI to initiate global particle simulation of magnetohydrodynamics turbulence driven by energetic particle modes. The PI, Z. Lin, has been promoted to the Associate Professor with tenure at UCI.

  20. Hybrid programming model for implicit PDE simulations on multicore architectures

    KAUST Repository

    Kaushik, Dinesh K.

    2011-01-01

    The complexity of programming modern multicore processor based clusters is rapidly rising, with GPUs adding further demand for fine-grained parallelism. This paper analyzes the performance of the hybrid (MPI+OpenMP) programming model in the context of an implicit unstructured mesh CFD code. At the implementation level, the effects of cache locality, update management, work division, and synchronization frequency are studied. The hybrid model presents interesting algorithmic opportunities as well: the convergence of linear system solver is quicker than the pure MPI case since the parallel preconditioner stays stronger when hybrid model is used. This implies significant savings in the cost of communication and synchronization (explicit and implicit). Even though OpenMP based parallelism is easier to implement (with in a subdomain assigned to one MPI process for simplicity), getting good performance needs attention to data partitioning issues similar to those in the message-passing case. © 2011 Springer-Verlag.

  1. Influence of particles on the loading capacity and the temperature rise of water film in Ultra-high speed hybrid bearing

    Science.gov (United States)

    Zhu, Aibin; Li, Pei; Zhang, Yefan; Chen, Wei; Yuan, Xiaoyang

    2015-04-01

    Ultra-high speed machining technology enables high efficiency, high precision and high integrity of machined surface. Previous researches of hybrid bearing rarely consider influences of solid particles in lubricant and ultra-high speed of hybrid bearing, which cannot be ignored under the high speed and micro-space conditions of ultra-high speed water-lubricated hybrid bearing. Considering the impact of solid particles in lubricant, turbulence and temperature viscosity effects of lubricant, the influences of particles on pressure distribution, loading capacity and the temperature rise of the lubricant film with four-step-cavity ultra-high speed water-lubricated hybrid bearing are presented in the paper. The results show that loading capacity of the hybrid bearing can be affected by changing the viscosity of the lubricant, and large particles can improve the bearing loading capacity higher. The impact of water film temperature rise produced by solid particles in lubricant is related with particle diameter and minimum film thickness. Compared with the soft particles, hard particles cause the more increasing of water film temperature rise and loading capacity. When the speed of hybrid bearing increases, the impact of solid particles on hybrid bearing becomes increasingly apparent, especially for ultra-high speed water-lubricated hybrid bearing. This research presents influences of solid particles on the loading capacity and the temperature rise of water film in ultra-high speed hybrid bearings, the research conclusions provide a new method to evaluate the influence of solid particles in lubricant of ultra-high speed water-lubricated hybrid bearing, which is important to performance calculation of ultra-high speed hybrid bearings, design of filtration system, and safe operation of ultra-high speed hybrid bearings.

  2. Influence of Particles on the Loading Capacity and the Temperature Rise of Water Film in Ultra-high Speed Hybrid Bearing

    Institute of Scientific and Technical Information of China (English)

    ZHU Aibin; LI Pei; ZHANG Yefan; CHEN Wei; YUAN Xiaoyang

    2015-01-01

    Ultra-high speed machining technology enables high efficiency, high precision and high integrity of machined surface. Previous researches of hybrid bearing rarely consider influences of solid particles in lubricant and ultra-high speed of hybrid bearing, which cannot be ignored under the high speed and micro-space conditions of ultra-high speed water-lubricated hybrid bearing. Considering the impact of solid particles in lubricant, turbulence and temperature viscosity effects of lubricant, the influences of particles on pressure distribution, loading capacity and the temperature rise of the lubricant film with four-step-cavity ultra-high speed water-lubricated hybrid bearing are presented in the paper. The results show that loading capacity of the hybrid bearing can be affected by changing the viscosity of the lubricant, and large particles can improve the bearing loading capacity higher. The impact of water film temperature rise produced by solid particles in lubricant is related with particle diameter and minimum film thickness. Compared with the soft particles, hard particles cause the more increasing of water film temperature rise and loading capacity. When the speed of hybrid bearing increases, the impact of solid particles on hybrid bearing becomes increasingly apparent, especially for ultra-high speed water-lubricated hybrid bearing. This research presents influences of solid particles on the loading capacity and the temperature rise of water film in ultra-high speed hybrid bearings, the research conclusions provide a new method to evaluate the influence of solid particles in lubricant of ultra-high speed water-lubricated hybrid bearing, which is important to performance calculation of ultra-high speed hybrid bearings, design of filtration system, and safe operation of ultra-high speed hybrid bearings.

  3. PEPT: An invaluable tool for 3-D particle tracking and CFD simulation verification in hydrocyclone studies

    Directory of Open Access Journals (Sweden)

    Hoffmann Alex C.

    2013-05-01

    Full Text Available Particle tracks in a hydrocyclone generated both experimentally by positron emission particle tracking (PEPT and numerically with Eulerian-Lagranian CFD have been studied and compared. A hydrocyclone with a cylinder-on-cone design was used in this study, the geometries used in the CFD simulations and in the experiments being identical. It is shown that it is possible to track a fast-moving particle in a hydrocyclone using PEPT with high temporal and spatial resolutions. The numerical 3-D particle trajectories were generated using the Large Eddy Simulation (LES turbulence model for the fluid and Lagrangian particle tracking for the particles. The behaviors of the particles were analyzed in detail and were found to be consistent between experiments and CFD simulations. The tracks of the particles are discussed and related to the fluid flow field visualized in the CFD simulations using the cross-sectional static pressure distribution.

  4. Particle-in-Cell/Test-Particle Simulations of Technological Plasmas: Sputtering Transport in Capacitive Radio Frequency Discharges

    OpenAIRE

    Trieschmann, Jan; Schmidt, Frederik; Mussenbrock, Thomas

    2016-01-01

    The paper provides a tutorial to the conceptual layout of a self-consistently coupled Particle-In-Cell/Test-Particle model for the kinetic simulation of sputtering transport in capacitively coupled plasmas at low gas pressures. It explains when a kinetic approach is actually needed and which numerical concepts allow for the inherent nonequilibrium behavior of the charged and neutral particles. At the example of a generic sputtering discharge both the fundamentals of the applied Monte Carlo me...

  5. 2D hybrid simulations of super-diffusion at the magnetopause driven by Kelvin-Helmholtz instability

    Energy Technology Data Exchange (ETDEWEB)

    Cowee, Misa M [Los Alamos National Laboratory; Winske, Dan [Los Alamos National Laboratory; Gary, S Peter [Los Alamos National Laboratory

    2009-01-01

    This manuscript describes the self-consistent simulation of diffusion at the magnetopause driven by Kelvin-Helmholtz (KH) instability. Two-dimensional hybrid (kinetic ions, fluid electrons) simulations of the most KH-unstable configuration where the shear flow is oriented perpendicular to the uniform magnetic field are carried out. The motion of the simulation particles are tracked during the run and their mean-square displacement normal to the magnetopause is calculated from which diffusion coefficients are determined. The diffusion coefficients are found to be time dependent, with D{sub x} {proportional_to} t{sup {alpha}}, where {alpha} > 1. Additionally, the probability distribution functions (PDF) of the 'jump lengths' the particles make over time are found to be non-gaussian. Such time-dependent diffusion coefficients and non-gaussian PDF's have been associated with so-called 'super-diffusion', in which diffusive mixing of particles is enhanced over classical diffusion. The results indicate that while turbulence associated with the break-down of vortices contributes to this enhanced diffusion, it is the growth of large-scale, coherent vortices is the more important process in facilitating it.

  6. Influence of Block Copolymer on Formation and Acid Resistant Properties of Hybrid CaCO3 Particles

    Institute of Scientific and Technical Information of China (English)

    LI Xiao-dong; HU Qiao-ling; ZHAO Shi-fang; SHEN Jia-cong

    2009-01-01

    Block copolymer polystyrene-b-poly(acrylic acid)(PS-b-PAA) was used as structural template for the synthesis of CaCO3 microparticles. Through this procedure, acid resistant hybrid CaCO3 micro-spheres were obtained. Acid resistant properties of this type of hybrid CaCO3 were studied. Size mea-surement shows that the acid resistant properties of the hybrid particles are different in different solutions, such as HCI, EDTA, and H2SO4 solutions.

  7. Tribological Potential of Hybrid Composites Based on Zinc and Aluminium Alloys Reinforced with SiC and Graphite Particles

    Directory of Open Access Journals (Sweden)

    D. Džunić

    2012-12-01

    Full Text Available The paper reviews contemporary research in the area of hybrid composites based on zinc and aluminium alloys reinforced with SiC and graphite particles. Metal matrix composites (MMCs based on ZA matrix are being increasingly applied as light-weight and wear resistant materials. Aluminium matrix composites with multiple reinforcements (hybrid AMCsare finding increased applications because of improved mechanical and tribological properties and hence are better substitutes for single reinforced composites. The results of research show that the hybrid composites possess higher hardness, higher tensile strength, better wear resistance and lower coefficient of friction when compared to pure alloys.

  8. Simulating Magnetized Laboratory Plasmas with Smoothed Particle Hydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Jeffrey N. [Univ. of California, Davis, CA (United States)

    2009-01-01

    The creation of plasmas in the laboratory continues to generate excitement in the physics community. Despite the best efforts of the intrepid plasma diagnostics community, the dynamics of these plasmas remains a difficult challenge to both the theorist and the experimentalist. This dissertation describes the simulation of strongly magnetized laboratory plasmas with Smoothed Particle Hydrodynamics (SPH), a method born of astrophysics but gaining broad support in the engineering community. We describe the mathematical formulation that best characterizes a strongly magnetized plasma under our circumstances of interest, and we review the SPH method and its application to astrophysical plasmas based on research by Phillips [1], Buerve [2], and Price and Monaghan [3]. Some modifications and extensions to this method are necessary to simulate terrestrial plasmas, such as a treatment of magnetic diffusion based on work by Brookshaw [4] and by Atluri [5]; we describe these changes as we turn our attention toward laboratory experiments. Test problems that verify the method are provided throughout the discussion. Finally, we apply our method to the compression of a magnetized plasma performed by the Compact Toroid Injection eXperiment (CTIX) [6] and show that the experimental results support our computed predictions.

  9. Particle Simulations of DARHT-II Transport System

    Energy Technology Data Exchange (ETDEWEB)

    Poole, B; Chen, Y J

    2001-06-11

    The DARHT-II beam line utilizes a fast stripline kicker to temporally chop a high current electron beam from a single induction LINAC and deliver multiple temporal electron beam pulses to an x-ray converter target. High beam quality needs to be maintained throughout the transport line from the end of the accelerator through the final focus lens to the x-ray converter target to produce a high quality radiographic image. Issues that will affect beam quality such as spot size and emittance at the converter target include dynamic effects associated with the stripline kicker as well as emittance growth due to the nonlinear forces associated with the kicker and various focusing elements in the transport line. In addition, dynamic effects associated with transverse resistive wall instability as well as gas focusing will affect the beam transport. A particle-in-cell code is utilized to evaluate beam transport in the downstream transport line in DARHT-II. External focusing forces are included utilizing either analytic expressions or field maps. Models for wakefields from the beam kicker, transverse resistive wall instability, and gas focusing are included in the simulation to provide a more complete picture of beam transport in DARHT-II. From these simulations, for various initial beam loads based on expected accelerator performance the temporally integrated target spot size and emittance can be estimated.

  10. Kinetic simulation of neutral particle transport in sputtering processes

    Science.gov (United States)

    Trieschmann, Jan; Gallian, Sara; Brinkmann, Ralf Peter; Mussenbrock, Thomas; Ries, Stefan; Bibinov, Nikita; Awakowicz, Peter

    2013-09-01

    For many physical vapor deposition applications using sputtering processes, knowledge about the detailed spatial and temporal evolution of the involved gas species is of great importance. Modeling of the involved gas dynamic and plasma processes is however challenging, because the operating pressure is typically below 1 Pa. In consequence, only kinetic descriptions are appropriate. In order to approach this problem, the dynamics of sputtered particle transport through a neutral gas background is simulated. For this study, a modified version of the three-dimensional Direct Simulation Monte Carlo (DSMC) code dsmcFoam is utilized. The impact of a transient sputtering wind is investigated in a generic reactor geometry, which may be used for dc Magnetron Sputtering (dcMS), High Power Impulse Magnetron Sputtering (HiPIMS), as well as sputtering in capacitively coupled discharges. In the present work a rarefaction of the background gas is observed. Moreover in pulsed mode the temporal dynamics of the rarefaction and subsequent recovery of the background gas is investigated. This work is supported by the German Research Foundation in the frame of TRR 87.

  11. Particle Simulations of DARHT-II Transport System

    Energy Technology Data Exchange (ETDEWEB)

    Poole, B; Chen, Y J

    2001-06-11

    The DARHT-II beam line utilizes a fast stripline kicker to temporally chop a high current electron beam from a single induction LINAC and deliver multiple temporal electron beam pulses to an x-ray converter target. High beam quality needs to be maintained throughout the transport line from the end of the accelerator through the final focus lens to the x-ray converter target to produce a high quality radiographic image. Issues that will affect beam quality such as spot size and emittance at the converter target include dynamic effects associated with the stripline kicker as well as emittance growth due to the nonlinear forces associated with the kicker and various focusing elements in the transport line. In addition, dynamic effects associated with transverse resistive wall instability as well as gas focusing will affect the beam transport. A particle-in-cell code is utilized to evaluate beam transport in the downstream transport line in DARHT-II. External focusing forces are included utilizing either analytic expressions or field maps. Models for wakefields from the beam kicker, transverse resistive wall instability, and gas focusing are included in the simulation to provide a more complete picture of beam transport in DARHT-II. From these simulations, for various initial beam loads based on expected accelerator performance the temporally integrated target spot size and emittance can be estimated.

  12. The Giant Impact Simulations with Density Independent Smoothed Particle Hydrodynamics

    CERN Document Server

    Hosono, Natsuki; Makino, Junichiro; Genda, Hidenori; Ida, Shigeru

    2016-01-01

    At present, the giant impact (GI) is the most widely accepted model for the origin of the Moon. Most of the numerical simulations of GI have been carried out with the smoothed particle hydrodynamics (SPH) method. Recently, however, it has been pointed out that standard formulation of SPH (SSPH) has difficulties in the treatment of a contact discontinuity such as a core-mantle boundary and a free surface such as a planetary surface. This difficulty comes from the assumption of differentiability of density in SSPH. We have developed an alternative formulation of SPH, density independent SPH (DISPH), which is based on differentiability of pressure instead of density to solve the problem of a contact discontinuity. In this paper, we report the results of the GI simulations with DISPH and compare them with those obtained with SSPH. We found that the disk properties, such as mass and angular momentum produced by DISPH is different from that of SSPH. In general, the disks formed by DISPH are more compact: while form...

  13. Dynamic Modeling and Simulation of a Switched Reluctance Motor in a Series Hybrid Electric Vehicle

    Directory of Open Access Journals (Sweden)

    Siavash Sadeghi

    2010-04-01

    Full Text Available Dynamic behavior analysis of electric motors is required in order to accuratelyevaluate the performance, energy consumption and pollution level of hybrid electricvehicles. Simulation tools for hybrid electric vehicles are divided into steady state anddynamic models. Tools with steady-state models are useful for system-level analysiswhereas tools that utilize dynamic models give in-depth information about the behavior ofsublevel components. For the accurate prediction of hybrid electric vehicle performance,dynamic modeling of the motor and other components is necessary. Whereas the switchedreluctance machine is well suited for electric and hybrid electric vehicles, due to the simpleand rugged construction, low cost, and ability to operate over a wide speed range atconstant power, in this paper dynamic performance of the switched reluctance motor for eseries hybrid electric vehicles is investigated. For this purpose a switched reluctance motorwith its electrical drive is modeld and simulated first, and then the other components of aseries hybrid electric vehicle, such as battery, generator, internal combusion engine, andgearbox, are designed and linked with the electric motor. Finally a typical series hybridelectric vehicle is simulated for different drive cycles. The extensive simulation results showthe dynamic performance of SRM, battery, fuel consumption, and emissions.

  14. E324 Simulation of Turbulent Channel Flow Using a RANS/LES Hybrid Model

    OpenAIRE

    半場, 藤弘; Fujihiro, Hamba; 東大生研; Institute of Industrial Science, University of Tokyo

    2004-01-01

    A RANS/LES hybrid simulation of a channel flow at Reτ=5000 was carried out using the Smagorinsky model. It is known that some hybrid simulations including the detached eddy simulation have a common defect: the mean velocity profile has a mismatch between the RANS and LES regions due to a steep gradient near the interface. New filtering for the velocity was introduced to improve the mean velocity profile. It was shown that this method increases the intensity of the normal velocity component in...

  15. Transparent and High Refractive Index Thermoplastic Polymer Glasses Using Evaporative Ligand Exchange of Hybrid Particle Fillers.

    Science.gov (United States)

    Wang, Zongyu; Lu, Zhao; Mahoney, Clare; Yan, Jiajun; Ferebee, Rachel; Luo, Danli; Matyjaszewski, Krzysztof; Bockstaller, Michael R

    2017-03-01

    Development of high refractive index glasses on the basis of commodity polymer thermoplastics presents an important requisite to further advancement of technologies ranging from energy efficient lighting to cost efficient photonics. This contribution presents a novel particle dispersion strategy that enables uniform dispersion of zinc oxide (ZnO) particles in a poly(methyl methacrylate) (PMMA) matrix to facilitate hybrid glasses with inorganic content exceeding 25% by weight, optical transparency in excess of 0.8/mm, and a refractive index greater than 1.64 in the visible wavelength range. The method is based on the application of evaporative ligand exchange to synthesize poly(styrene-r-acrylonitrile) (PSAN)-tethered zinc oxide (ZnO) particle fillers. Favorable filler-matrix interactions are shown to enable the synthesis of isomorphous blends with high molecular PMMA that exhibit improved thermomechanical stability compared to that of the pristine PMMA matrix. The concurrent realization of high refractive index and optical transparency in polymer glasses by modification of a thermoplastic commodity polymer could present a viable alternative to expensive specialty polymers in applications where high costs or demands for thermomechanical stability and/or UV resistance prohibit the application of specialty polymer solutions.

  16. Particle-in-Cell simulation of two-dimensional electron velocity shear driven instability in relativistic domain

    CERN Document Server

    Shukla, Chandrasekhar; Patel, Kartik

    2016-01-01

    We carry out Particle-in-Cell (PIC) simulations to study the instabilities associated with a 2-D sheared electron flow configuration against a neutralizing background of ions. Both weak and strong relativistic flow velocities are considered. In the weakly relativistic case, we observe the development of electromagnetic Kelvin Helmholtz instability with similar characteristics as that predicted by the electron Magnetohydrodynamic (EMHD) model. On other hand, in strong relativistic case the compressibility effects of electron fluid dominate and introduce upper hybrid electrostatic oscillations transverse to the flow which are very distinct from EMHD fluid behaviour. In the nonlinear regime, both weak and strong relativistic cases lead to turbulence with broad power law spectrum.

  17. A hybrid formulation for the numerical simulation of condensed phase explosives

    Science.gov (United States)

    Michael, L.; Nikiforakis, N.

    2016-07-01

    In this article we present a new formulation and an associated numerical algorithm, for the simulation of combustion and transition to detonation of condensed-phase commercial- and military-grade explosives, which are confined by (or in general interacting with one or more) compliant inert materials. Examples include confined rate-stick problems and interaction of shock waves with gas cavities or solid particles in explosives. This formulation is based on an augmented Euler approach to account for the mixture of the explosive and its products, and a multi-phase diffuse interface approach to solve for the immiscible interaction between the mixture and the inert materials, so it is in essence a hybrid (augmented Euler and multi-phase) model. As such, it has many of the desirable features of the two approaches and, critically for our applications of interest, it provides the accurate recovery of temperature fields across all components. Moreover, it conveys a lot more physical information than augmented Euler, without the complexity of full multi-phase Baer-Nunziato-type models or the lack of robustness of augmented Euler models in the presence of more than two components. The model can sustain large density differences across material interfaces without the presence of spurious oscillations in velocity and pressure, and it can accommodate realistic equations of state and arbitrary (pressure- or temperature-based) reaction-rate laws. Under certain conditions, we show that the formulation reduces to well-known augmented Euler or multi-phase models, which have been extensively validated and used in practice. The full hybrid model and its reduced forms are validated against problems with exact (or independently-verified numerical) solutions and evaluated for robustness for rate-stick and shock-induced cavity collapse case-studies.

  18. Self-consistent kinetic simulations of lower hybrid drift instability resulting in electron current driven by fusion products in tokamak plasmas

    CERN Document Server

    Cook, J W S; Dendy, R O

    2010-01-01

    We present particle-in-cell (PIC) simulations of minority energetic protons in deuterium plasmas, which demonstrate a collective instability responsible for emission near the lower hybrid frequency and its harmonics. The simulations capture the lower hybrid drift instability in a regime relevant to tokamak fusion plasmas, and show further that the excited electromagnetic fields collectively and collisionlessly couple free energy from the protons to directed electron motion. This results in an asymmetric tail antiparallel to the magnetic field. We focus on obliquely propagating modes under conditions approximating the outer mid-plane edge in a large tokamak, through which there pass confined centrally born fusion products on banana orbits that have large radial excursions. A fully self-consistent electromagnetic relativistic PIC code representing all vector field quantities and particle velocities in three dimensions as functions of a single spatial dimension is used to model this situation, by evolving the in...

  19. The giant impact simulations with density independent smoothed particle hydrodynamics

    Science.gov (United States)

    Hosono, Natsuki; Saitoh, Takayuki R.; Makino, Junichiro; Genda, Hidenori; Ida, Shigeru

    2016-06-01

    At present, the giant impact (GI) is the most widely accepted model for the origin of the Moon. Most of the numerical simulations of GI have been carried out with the smoothed particle hydrodynamics (SPH) method. Recently, however, it has been pointed out that standard formulation of SPH (SSPH) has difficulties in the treatment of a contact discontinuity such as a core-mantle boundary and a free surface such as a planetary surface. This difficulty comes from the assumption of differentiability of density in SSPH. We have developed an alternative formulation of SPH, density independent SPH (DISPH), which is based on differentiability of pressure instead of density to solve the problem of a contact discontinuity. In this paper, we report the results of the GI simulations with DISPH and compare them with those obtained with SSPH. We found that the disk properties, such as mass and angular momentum produced by DISPH is different from that of SSPH. In general, the disks formed by DISPH are more compact: while formation of a smaller mass moon for low-oblique impacts is expected with DISPH, inhibition of ejection would promote formation of a larger mass moon for high-oblique impacts. Since only the improvement of core-mantle boundary significantly affects the properties of circumplanetary disks generated by GI and DISPH has not been significantly improved from SSPH for a free surface, we should be very careful when some conclusions are drawn from the numerical simulations for GI. And it is necessary to develop the numerical hydrodynamical scheme for GI that can properly treat the free surface as well as the contact discontinuity.

  20. Gyrokinetic δ particle simulation of trapped electron mode driven turbulence

    Science.gov (United States)

    Lang, Jianying

    2007-11-01

    Turbulent transport driven by collisionless trapped electron modes (CTEM) is systematically studied using gyrokinetic delta-f particle-in-cell simulation. Scaling with local plasma parameters, including density gradient, electron temperature gradient, magnetic shear, temperature ratio and aspect ratio, is investigated. Simulation results are compared with previous simulations and theoretical predictions. Nonlinearly the transport level increases with increasing magnetic shear. We explain the nonlinear magnetic shear scaling by differences in the radial correlation lengths caused by toroidal coupling. The turbulence is more radially elongated at higher magnetic shear compared with low magnetic shear. We show that the suppression effect of zonal flow on CTEM transport depends on both the electron temperature gradient and the electron to ion temperature ratio. This helps explain the previous contradictory conclusions on the importance of zonal flows in different parameter regimes.ootnotetextT. Dannert, F. Jenko, Phys. Plasmas 12, 072309 (2005); D. Ernst, et al., Phys. Plasmas 11, 2637 (2004). Zonal flow suppression is consistent with the rate of EXB shearing from the ambient turbulence as well as the radial broadening of the spectra. Strong geodesic acoustic modes (GAMs) are generated along with zonal flows and the frequency of the GAMs agrees well with kinetic theory.ootnotetextT. Watari, et al., Phys. Plasmas 13, 062504 (2006). We further explore the nonlinear saturation mechanism when the zonal flows are not important. We find that when only a single toroidal mode (and its conjugate) is kept, reasonable nonlinear saturation is obtained. Investigating a range of n, modes with larger mode number n saturate at a higher level relative to lower n modes, indicating a turbulent inverse cascade process.

  1. Three-dimensional particle simulation of plasma instabilities and collisionless reconnection in a current sheet

    Energy Technology Data Exchange (ETDEWEB)

    Horiuchi, Ritoku; Sato, Tetsuya [Theory and Computer Simulation Center, National Inst. for Fusion Science, Toki, Gifu (Japan)

    1999-06-01

    Generation of anomalous resistivity and dynamical development of collisionless reconnection in the vicinity of a magnetically neutral sheet are investigated by means of a three-dimensional particle simulation. For no external driving source, two different types of plasma instabilities are excited in the current layer. The lower hybrid drift instability (LHDI) is observed to grow in the periphery of current layer in an early period, while a drift kink instability (DKI) is triggered at the neutral sheet in a late period as a result of the nonlinear deformation of the current sheet by the LHDI. A reconnection electric field grows at the neutral sheet in accordance with the excitation of the DKI. When an external driving field exists, the convective electric field penetrates into the current layer through the particle kinetic effect and collisionless reconnection is triggered by the convective electric field earlier than the DKI is excited. It is also found that the anisotropic ion distribution is formed through the anomalous ion heating by the DKI. (author)

  2. Generation expansion planning in Pool market: A hybrid modified game theory and particle swarm optimization

    Energy Technology Data Exchange (ETDEWEB)

    Moghddas-Tafreshi, S.M. [Department of Electrical Engineering, K.N. Toosi University of Technology, Tehran (Iran, Islamic Republic of); Shayanfar, H.A. [Center of Excellence for Power System Automation and Operation, Department of Electrical Engineering, Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Saliminia Lahiji, A. [Department of Electrical Engineering, K.N. Toosi University of Technology, Tehran (Iran, Islamic Republic of); Rabiee, A. [Center of Excellence for Power System Automation and Operation, Department of Electrical Engineering, Iran University of Science and Technology, Tehran (Iran, Islamic Republic of); Aghaei, J., E-mail: aghaei@iust.ac.i [Department of Electrical and Electronic Engineering, Shiraz University of Technology, Shiraz (Iran, Islamic Republic of)

    2011-02-15

    Unlike the traditional policy, Generation Expansion Planning (GEP) problem in competitive framework is complicated. In the new policy, each GENeration COmpany (GENCO) decides to invest in such a way that obtains as much profit as possible. This paper presents a new hybrid algorithm to determine GEP in a Pool market. The proposed algorithm is divided in two programming levels: master and slave. In the master level a modified game theory (MGT) is proposed to evaluate the contrast of GENCOs by the Independent System Operator (ISO). In the slave level, a particle swarm optimization (PSO) method is used to find the best solution of each GENCO for decision-making of investment. The validity of the proposed method is examined in the case study including three GENCOs with multi-types of power plants. The results show that the presented method is both satisfactory and consistent with expectation.

  3. TSV last for hybrid pixel detectors: Application to particle physics and imaging experiments

    CERN Document Server

    Henry, D; Berthelot, A; Cuchet, R; Chantre, C; Campbell, M

    Hybrid pixel detectors are now widely used in particle physics experiments and at synchrotron light sources. They have also stimulated growing interest in other fields and, in particular, in medical imaging. Through the continuous pursuit of miniaturization in CMOS it has been possible to increase the functionality per pixel while maintaining or even shrinking pixel dimensions. The main constraint on the more extensive use of the technology in all fields is the cost of module building and the difficulty of covering large areas seamlessly [1]. On another hand, in the field of electronic component integration, a new approach has been developed in the last years, called 3D Integration. This concept, based on using the vertical axis for component integration, allows improving the global performance of complex systems. Thanks to this technology, the cost and the form factor of components could be decreased and the performance of the global system could be enhanced. In the field of radiation imaging detectors the a...

  4. A Hybrid Multi Objective Particle Swarm Optimization Method to Discover Biclusters in Microarray Data

    CERN Document Server

    lashkargir, Mohsen; Dastjerdi, Ahmad Baraani

    2009-01-01

    In recent years, with the development of microarray technique, discovery of useful knowledge from microarray data has become very important. Biclustering is a very useful data mining technique for discovering genes which have similar behavior. In microarray data, several objectives have to be optimized simultaneously and often these objectives are in conflict with each other. A Multi Objective model is capable of solving such problems. Our method proposes a Hybrid algorithm which is based on the Multi Objective Particle Swarm Optimization for discovering biclusters in gene expression data. In our method, we will consider a low level of overlapping amongst the biclusters and try to cover all elements of the gene expression matrix. Experimental results in the bench mark database show a significant improvement in both overlap among biclusters and coverage of elements in the gene expression matrix.

  5. Test and numerical simulation of a new type of hybrid control technique

    Institute of Scientific and Technical Information of China (English)

    Meng Qingli; Zhang Minzheng; Cheng Dong

    2005-01-01

    In this paper, a new hybrid control technique, based on a combination of base-isolation and semi-active variable stiffness/damping in a superstructure, is presented. To illustrate the efficiency of the proposed control system, model tests on a mini-electromagnetic shaking table and a numerical simulation were performed. The test and numerical calculation results indicate that this new hybrid control mode with additional damping and smaller additional stiffness can achieve a better control efficiency.

  6. Selection of a Planning Horizon for a Hybrid Microgrid Using Simulated Wind Forecasts

    Science.gov (United States)

    2014-12-01

    Craparo Dashi I. Singham Naval Postgraduate School 1411 Cunningham Road Monterey, CA, 93943 USA ABSTRACT Hybrid microgrids containing renewable energy ...produced is at least as great as the total load. Energy is produced by generators, wind turbines, purchases from the commercial grid, and discharge of the...A PLANNING HORIZON FOR A HYBRID MICROGRID USING SIMULATED WIND FORECASTS Mumtaz Karatas Turkish Naval Academy Tuzla, Istanbul, 34942, TURKEY Emily M

  7. An efficient algorithm for the stochastic simulation of the hybridization of DNA to microarrays

    Directory of Open Access Journals (Sweden)

    Laurenzi Ian J

    2009-12-01

    Full Text Available Abstract Background Although oligonucleotide microarray technology is ubiquitous in genomic research, reproducibility and standardization of expression measurements still concern many researchers. Cross-hybridization between microarray probes and non-target ssDNA has been implicated as a primary factor in sensitivity and selectivity loss. Since hybridization is a chemical process, it may be modeled at a population-level using a combination of material balance equations and thermodynamics. However, the hybridization reaction network may be exceptionally large for commercial arrays, which often possess at least one reporter per transcript. Quantification of the kinetics and equilibrium of exceptionally large chemical systems of this type is numerically infeasible with customary approaches. Results In this paper, we present a robust and computationally efficient algorithm for the simulation of hybridization processes underlying microarray assays. Our method may be utilized to identify the extent to which nucleic acid targets (e.g. cDNA will cross-hybridize with probes, and by extension, characterize probe robustnessusing the information specified by MAGE-TAB. Using this algorithm, we characterize cross-hybridization in a modified commercial microarray assay. Conclusions By integrating stochastic simulation with thermodynamic prediction tools for DNA hybridization, one may robustly and rapidly characterize of the selectivity of a proposed microarray design at the probe and "system" levels. Our code is available at http://www.laurenzi.net.

  8. Viewpoint Selection Using Hybrid Simplex Search and Particle Swarm Optimization for Volume Rendering

    Directory of Open Access Journals (Sweden)

    Zhang You-sai,,,

    2012-09-01

    Full Text Available In this paper we proposed a novel method of viewpoint selection using the hybrid Nelder-Mead (NM simplex search and particle swarm optimization (PSO to improve the efficiency and the intelligent level of volume rendering. This method constructed the viewpoint quality evaluation function in the form of entropy by utilizing the luminance and structure features of the two-dimensional projective image of volume data. During the process of volume rendering, the hybrid NM-PSO algorithm intended to locate the globally optimal viewpoint or a set of the optimized viewpoints automatically and intelligently. Experimental results have shown that this method avoids redundant interactions and evidently improves the efficiency of volume rendering. The optimized viewpoints can focus on the important structural features or the region of interest in volume data and exhibit definite correlation with the perception character of human visual system. Compared with the methods based on PSO or NM simplex search, our method has the better performance of convergence rate, convergence accuracy and robustness.

  9. Micro-magnetic simulation study on the magnetic particle imaging performance of anisotropic mono-domain particles.

    Science.gov (United States)

    Weizenecker, Jürgen; Gleich, Bernhard; Rahmer, Jürgen; Borgert, Jörn

    2012-11-21

    The performance of magnetic mono-domain particles is of crucial importance in magnetic particle imaging (MPI). So far, the behavior of mono-domain particles has been modeled within the framework of Langevin theory. This theory predicts the dependence of the MPI signal on the particle core size, but cannot account for the influence of the shape, i.e. the anisotropy of the particle core. In this study we present the first micro-magnetic ab initio simulation of spectra of anisotropic particles with different core diameters in an oscillating magnetic field at 25 and 100 kHz. We find that the MPI signal strongly depends on the anisotropy of the magnetic core. Thus, a difference of 3 nm between the principal axes of a prolate ellipsoid with the volume of a 30 nm sphere can result in a complete loss of the MPI signal. Smaller anisotropies, however, can increase the MPI performance of the particle. The simulations show that the effect of the anisotropy on the MPI signal depends on the frequency of the oscillating magnetic field. At 100 kHz, the optimal signal is found at smaller anisotropies than at 25 kHz. Furthermore, the simulations show that experimental spectroscopic results for Resovist® can only be explained quantitatively by particles with a magnetic core size of at least 25 nm.

  10. A particle-in-mesh method for Brownian Dynamics simulation of many-particle systems with hydrodynamics interactions in a confined geometry

    Science.gov (United States)

    Zhao, Xujun; Hernandez-Ortiz, Juan; Karpeyev, Dmitry; de Pablo, Juan; Smith, Barry

    In this work, we present an efficient parallel particle-in-mesh method for Brownian Dynamics simulations of many-particle systems confined in micro- and nano-fluidic devices. A general geometry Ewald-like method (GGEM) combined with finite element method is used to account for the hydrodynamic interaction. A fast parallel Krylov-type iterative solver with hybrid preconditioning techniques is developed for solving the large sparse systems of equations arising from finite element discretization of the Stokes equations. In addition, the current computer code is developed based on PETSc, a scalable library of numerical algorithms developed at Argonne, SLEPc - Scalable Library for Eigenvalue Problem Computations, and libMesh, a finite element library for numerical solution of PDEs built on top of PETSc, which allows for direct simulation of large scale systems with arbitrary confined geometries. This scheme is applied to Brownian dynamics simulations of flowing confined polymer solutions and colloidal dispersions in micro-fluid channels. The effects of hydrodynamics interactions and geometric confinement on the migration phenomena are illustrated.

  11. Charaterizing the O+ ion plume from Hybrid simulations: comparison to MAVEN observations

    Science.gov (United States)

    Modolo, R.; Leblanc, F.; Chaufray, J. Y.; Leclercq, L.; Esteban-Hernandez, R.; Curry, S.; Dong, Y.; Brain, D. A.; Bowers, C.; Luhmann, J. G.; McFadden, J. P.; Halekas, J. S.; Espley, J. R.; Connerney, J. E. P.; Jakosky, B. M.

    2015-12-01

    MAVEN observations show a substantial plume-like distribution of escaping ions from the Martian atmosphere. It represents an important ion escape channel with large fluxes (Brain et al, 2015; Dong et al, 2015, Curry et al, 2015). Such structure is organized by the solar wind convection electric field and it is located in the MSE northward hemisphere. Global hybrid models (eg Modolo et al, 2005, 2012; Kallio et al, 2006; Brecht et al, 2006) reproduce nicely this plume. To further characterize this population, hybrid simulations have been performed with upstream solar wind conditions observed by MAVEN. Simulation results along the spacecraft track present signatures of high energetic O+ ions similar to MAVEN measurements. Comparison of simulated 3D distribution functions of this population are compared to STATIC and SWIA observations. Moreover a comparison of hybrid results with statistical ion fluxes maps derived from MAVEN (Dong et al, 2015; Brain et al, 2015) have been conducted and a reasonable agreement is found .

  12. Strategy and gaps for modeling, simulation, and control of hybrid systems

    Energy Technology Data Exchange (ETDEWEB)

    Rabiti, Cristian [Idaho National Lab. (INL), Idaho Falls, ID (United States); Garcia, Humberto E. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Hovsapian, Rob [Idaho National Lab. (INL), Idaho Falls, ID (United States); Kinoshita, Robert [Idaho National Lab. (INL), Idaho Falls, ID (United States); Mesina, George L. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Bragg-Sitton, Shannon M. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Boardman, Richard D. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-04-01

    The purpose of this report is to establish a strategy for modeling and simulation of candidate hybrid energy systems. Modeling and simulation is necessary to design, evaluate, and optimize the system technical and economic performance. Accordingly, this report first establishes the simulation requirements to analysis candidate hybrid systems. Simulation fidelity levels are established based on the temporal scale, real and synthetic data availability or needs, solution accuracy, and output parameters needed to evaluate case-specific figures of merit. Accordingly, the associated computational and co-simulation resources needed are established; including physical models when needed, code assembly and integrated solutions platforms, mathematical solvers, and data processing. This report first attempts to describe the figures of merit, systems requirements, and constraints that are necessary and sufficient to characterize the grid and hybrid systems behavior and market interactions. Loss of Load Probability (LOLP) and effective cost of Effective Cost of Energy (ECE), as opposed to the standard Levelized Cost of Electricty (LCOE), are introduced as technical and economical indices for integrated energy system evaluations. Financial assessment methods are subsequently introduced for evaluation of non-traditional, hybrid energy systems. Algorithms for coupled and iterative evaluation of the technical and economic performance are subsequently discussed. This report further defines modeling objectives, computational tools, solution approaches, and real-time data collection and processing (in some cases using real test units) that will be required to model, co-simulate, and optimize; (a) an energy system components (e.g., power generation unit, chemical process, electricity management unit), (b) system domains (e.g., thermal, electrical or chemical energy generation, conversion, and transport), and (c) systems control modules. Co-simulation of complex, tightly coupled

  13. Metal Diffusion in Smoothed Particle Hydrodynamics Simulations of Dwarf Galaxies

    Science.gov (United States)

    Williamson, David; Martel, Hugo; Kawata, Daisuke

    2016-05-01

    We perform a series of smoothed particle hydrodynamics simulations of isolated dwarf galaxies to compare different metal mixing models. In particular, we examine the role of diffusion in the production of enriched outflows and in determining the metallicity distributions of gas and stars. We investigate different diffusion strengths by changing the pre-factor of the diffusion coefficient, by varying how the diffusion coefficient is calculated from the local velocity distribution, and by varying whether the speed of sound is included as a velocity term. Stronger diffusion produces a tighter [O/Fe]-[Fe/H] distribution in the gas and cuts off the gas metallicity distribution function at lower metallicities. Diffusion suppresses the formation of low-metallicity stars, even with weak diffusion, and also strips metals from enriched outflows. This produces a remarkably tight correlation between “metal mass-loading” (mean metal outflow rate divided by mean metal production rate) and the strength of diffusion, even when the diffusion coefficient is calculated in different ways. The effectiveness of outflows at removing metals from dwarf galaxies and the metal distribution of the gas is thus dependent on the strength of diffusion. By contrast, we show that the metallicities of stars are not strongly dependent on the strength of diffusion, provided that some diffusion is present.

  14. Hybrid Particle Swarm Optimization based Day-Ahead Self-Scheduling for Thermal Generator in Competitive Electricity Market

    DEFF Research Database (Denmark)

    Pindoriya, Naran M.; Singh, S.N.; Østergaard, Jacob

    2009-01-01

    This paper presents a hybrid particle swarm optimization algorithm (HPSO) to solve the day-ahead self-scheduling for thermal power producer in competitive electricity market. The objective functions considered to model the self-scheduling problem are 1) to maximize the profit from selling energy...

  15. Numerical simulation of particle-laden turbulent channel flow

    NARCIS (Netherlands)

    Li, Y.; McLaughlin, J.B.; Kontomaris, K.; Portela, L.

    2001-01-01

    This paper presents results for the behavior of particle-laden gases in a small Reynolds number vertical channel down flow. Results will be presented for the effects of particle feedback on the gas-phase turbulence and for the concentration profile of the particles. The effects of density ratio,

  16. Simulation of the performance of a hybrid ventilation system in different climates

    Energy Technology Data Exchange (ETDEWEB)

    Charvat, P.; Jicha, M. [Brno Univ. of Technology, Brno (Czech Republic). Faculty of Mechanical Engineering; Niachou, A.; Santamouris, M. [National and Kapodistrian Univ. of Athens, Athens (Greece)

    2005-07-01

    Four different concepts of hybrid ventilation systems for 4 climates in Europe have been developed within the Framework of the European Union project called Residential Hybrid Ventilation (RESHYVENT). This study involved computational simulations to examine the performance of the hybrid ventilation system for a moderate climate in an urban environment under various climatic conditions. A hybrid ventilation system refers to a ventilation system that uses natural driving forces as long as possible and which switches to mechanical forces when needed. It therefore minimizes energy consumption while maintaining good indoor air quality and thermal comfort for occupants. The RESHYVENT hybrid ventilation system consists of a self-regulating air inlet, DC fan, motorized damper, flow meter, central control unit, carbon dioxide sensors and ductwork. If natural driving forces are not sufficient, the fan engages and its speed adjusts to match the demanded flow rate. This paper presents a case study in which the TRNSYS type 15 software package was used with the TRNFlow air flow network module to simulate natural driving forces such as wind and buoyancy in an apartment building situated in an urban canyon. Results were obtained for a specific geometry, occupancy scheme and other factors. The study showed that the hybrid ventilation system was able to maintain required indoor air quality regardless of weather conditions. As such, it was better than the natural ventilation system and holds promise for use in office and residential buildings. The complexity of hybrid and natural ventilation systems is due to the fact that air flow rates depend greatly on climatic conditions. Therefore, simulations must consider thermal and air flow models. Experiments conducted at a demonstration house in Brno, Czech Republic show that the RESHYVENT hybrid ventilation system could maintain the level of carbon dioxide concentration in rooms below 1200 ppm. refs., 7 tabs., 3 figs.

  17. New hybrid genetic particle swarm optimization algorithm to design multi-zone binary filter.

    Science.gov (United States)

    Lin, Jie; Zhao, Hongyang; Ma, Yuan; Tan, Jiubin; Jin, Peng

    2016-05-16

    The binary phase filters have been used to achieve an optical needle with small lateral size. Designing a binary phase filter is still a scientific challenge in such fields. In this paper, a hybrid genetic particle swarm optimization (HGPSO) algorithm is proposed to design the binary phase filter. The HGPSO algorithm includes self-adaptive parameters, recombination and mutation operations that originated from the genetic algorithm. Based on the benchmark test, the HGPSO algorithm has achieved global optimization and fast convergence. In an easy-to-perform optimizing procedure, the iteration number of HGPSO is decreased to about a quarter of the original particle swarm optimization process. A multi-zone binary phase filter is designed by using the HGPSO. The long depth of focus and high resolution are achieved simultaneously, where the depth of focus and focal spot transverse size are 6.05λ and 0.41λ, respectively. Therefore, the proposed HGPSO can be applied to the optimization of filter with multiple parameters.

  18. Hybrid particle swarm optimization with Cauchy distribution for solving reentrant flexible flow shop with blocking constraint

    Directory of Open Access Journals (Sweden)

    Chatnugrob Sangsawang

    2016-06-01

    Full Text Available This paper addresses a problem of the two-stage flexible flow shop with reentrant and blocking constraints in Hard Disk Drive Manufacturing. This problem can be formulated as a deterministic FFS|stage=2,rcrc, block|Cmax problem. In this study, adaptive Hybrid Particle Swarm Optimization with Cauchy distribution (HPSO was developed to solve the problem. The objective of this research is to find the sequences in order to minimize the makespan. To show their performances, computational experiments were performed on a number of test problems and the results are reported. Experimental results show that the proposed algorithms give better solutions than the classical Particle Swarm Optimization (PSO for all test problems. Additionally, the relative improvement (RI of the makespan solutions obtained by the proposed algorithms with respect to those of the current practice is performed in order to measure the quality of the makespan solutions generated by the proposed algorithms. The RI results show that the HPSO algorithm can improve the makespan solution by averages of 14.78%.

  19. Self-propelled Janus particles in a ratchet: Numerical simulations

    CERN Document Server

    Ghosh, Pulak Kumar; Marchesoni, Fabio; Nori, Franco

    2013-01-01

    Brownian transport of self-propelled overdamped microswimmers (like Janus particles) in a two-dimensional periodically compartmentalized channel is numerically investigated for different compartment geometries, boundary collisional dynamics, and particle rotational diffusion. The resulting time-correlated active Brownian motion is subject to rectification in the presence of spatial asymmetry. We prove that ratcheting of Janus particles can be orders of magnitude stronger than for ordinary thermal potential ratchets and thus experimentally accessible. In particular, autonomous pumping of a large mixture of passive particles can be induced by just adding a small fraction of Janus particles.

  20. Optimal Energy Management Strategy of a Plug-in Hybrid Electric Vehicle Based on a Particle Swarm Optimization Algorithm

    Directory of Open Access Journals (Sweden)

    Zeyu Chen

    2015-04-01

    Full Text Available Plug-in hybrid electric vehicles (PHEVs have been recognized as one of the most promising vehicle categories nowadays due to their low fuel consumption and reduced emissions. Energy management is critical for improving the performance of PHEVs. This paper proposes an energy management approach based on a particle swarm optimization (PSO algorithm. The optimization objective is to minimize total energy cost (summation of oil and electricity from vehicle utilization. A main drawback of optimal strategies is that they can hardly be used in real-time control. In order to solve this problem, a rule-based strategy containing three operation modes is proposed first, and then the PSO algorithm is implemented on four threshold values in the presented rule-based strategy. The proposed strategy has been verified by the US06 driving cycle under the MATLAB/Simulink software environment. Two different driving cycles are adopted to evaluate the generalization ability of the proposed strategy. Simulation results indicate that the proposed PSO-based energy management method can achieve better energy efficiency compared with traditional blended strategies. Online control performance of the proposed approach has been demonstrated through a driver-in-the-loop real-time experiment.