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Sample records for hybrid discrete particle

  1. Simulation of electromagnetic scattering by random discrete particles using a hybrid FE-BI-CBFM technique

    NASA Astrophysics Data System (ADS)

    Cui, Z.-W.; Han, Y.-P.; Li, C.-Y.

    2012-05-01

    A hybrid finite element-boundary integral-characteristic basis function method (FE-BI-CBFM) is proposed for an efficient simulation of electromagnetic scattering by random discrete particles. Specifically, the finite element method (FEM) is used to obtain the solution of the vector wave equation inside each particle and the boundary integral equation (BIE) using Green's functions is applied on the surfaces of all the particles as a global boundary condition. The coupling system of equations is solved by employing the characteristic basis function method (CBFM) based on the use of macro-basis functions constructed according to the Foldy-Lax multiple scattering equations. Due to the flexibility of FEM, the proposed hybrid technique can easily deal with the problems of multiple scattering by randomly distributed inhomogeneous particles that are often beyond the scope of traditional numerical methods. Some numerical examples are presented to demonstrate the validity and capability of the proposed method.

  2. A reliable light scattering computing for black carbon-containing particles: Hybrid discrete dipole approximation (h-DDA)

    NASA Astrophysics Data System (ADS)

    Moteki, N.

    2015-12-01

    Black carbon (BC) is a light-absorbing carbonaceous aerosol emitted from combustions of fossil fuels and biomasses and is estimated as the second most important contributor to positive climate forcing after the carbon dioxide. In the atmosphere, the fractal aggregate of BC-spherules may be mixed with non-absorbing (or weakly absorbing) compounds that forms morphologically complex "BC-containing particle". A reliable scattering code for BC-containing particles is necessary for predicting mass absorption efficiency of BC and designing/evaluating optical techniques for estimating microphysical properties (i.e., size distribution, mixing state, shape, refractive index) of BC-containing particles. The computational methods that derived from the volume-integral form of the Maxwell equation, such as discrete dipole approximation (DDA), are method of choice for morphologically complex object like BC-containing particles. In ordinary DDA, the entire particle volume is approximated as a collection of tiny cubical dipoles (with side length d) placed on a 3D cubic lattice. For several model BC-containing particles, the comparisons with numerically exact T-matrix method reveals that the ordinary DDA suffered from persistent positive systematic error (up to +30%) in absorption even under d <<λ. The cause of this DDA error is identified to be the shape error in BC-spherules. To eliminate the shape error in BC-spherules, we propose a new DDA methodology which may be called hybrid DDA (h-DDA): each primary BC sphere is assumed as a spherical dipole, while remaining particle volume of coating material is approximated by a collection of tiny cubical dipoles on a 3D cubic lattice. Positive absorption bias up to +30% in ordinary DDA is suppressed to within 3% in h-DDA. In h-DDA code, an efficient FFT-based algorithm for solving the matrix equation has been implemented, by utilizing the multilevel block-Toeplitz property of the submatrix corresponding to inter-dipole interaction within

  3. Electrolytic plating apparatus for discrete microsized particles

    DOEpatents

    Mayer, Anton

    1976-11-30

    Method and apparatus are disclosed for electrolytically producing very uniform coatings of a desired material on discrete microsized particles. Agglomeration or bridging of the particles during the deposition process is prevented by imparting a sufficiently random motion to the particles that they are not in contact with a powered cathode for a time sufficient for such to occur.

  4. Electroless plating apparatus for discrete microsized particles

    DOEpatents

    Mayer, Anton

    1978-01-01

    Method and apparatus are disclosed for producing very uniform coatings of a desired material on discrete microsized particles by electroless techniques. Agglomeration or bridging of the particles during the deposition process is prevented by imparting a sufficiently random motion to the particles that they are not in contact with each other for a time sufficient for such to occur.

  5. Discrete Element Modeling of Triboelectrically Charged Particles

    NASA Technical Reports Server (NTRS)

    Hogue, Michael D.; Calle, Carlos I.; Weitzman, Peter S.; Curry, David R.

    2008-01-01

    Tribocharging of particles is common in many processes including fine powder handling and mixing, printer toner transport and dust extraction. In a lunar environment with its high vacuum and lack of water, electrostatic forces are an important factor to consider when designing and operating equipment. Dust mitigation and management is critical to safe and predictable performance of people and equipment. The extreme nature of lunar conditions makes it difficult and costly to carry out experiments on earth which are necessary to better understand how particles gather and transfer charge between each other and with equipment surfaces. DEM (Discrete Element Modeling) provides an excellent virtual laboratory for studying tribocharging of particles as well as for design of devices for dust mitigation and for other purposes related to handling and processing of lunar regolith. Theoretical and experimental work has been performed pursuant to incorporating screened Coulombic electrostatic forces into EDEM, a commercial DEM software package. The DEM software is used to model the trajectories of large numbers of particles for industrial particulate handling and processing applications and can be coupled with other solvers and numerical models to calculate particle interaction with surrounding media and force fields. While simple Coulombic force between two particles is well understood, its operation in an ensemble of particles is more complex. When the tribocharging of particles and surfaces due to frictional contact is also considered, it is necessary to consider longer range of interaction of particles in response to electrostatic charging. The standard DEM algorithm accounts for particle mechanical properties and inertia as a function of particle shape and mass. If fluid drag is neglected, then particle dynamics are governed by contact between particles, between particles and equipment surfaces and gravity forces. Consideration of particle charge and any tribocharging and

  6. Hybrid particles and associated methods

    DOEpatents

    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.

  7. Hybrid Discrete-Continuous Markov Decision Processes

    NASA Technical Reports Server (NTRS)

    Feng, Zhengzhu; Dearden, Richard; Meuleau, Nicholas; Washington, Rich

    2003-01-01

    This paper proposes a Markov decision process (MDP) model that features both discrete and continuous state variables. We extend previous work by Boyan and Littman on the mono-dimensional time-dependent MDP to multiple dimensions. We present the principle of lazy discretization, and piecewise constant and linear approximations of the model. Having to deal with several continuous dimensions raises several new problems that require new solutions. In the (piecewise) linear case, we use techniques from partially- observable MDPs (POMDPS) to represent value functions as sets of linear functions attached to different partitions of the state space.

  8. Hybrid discrete/continuum algorithms for stochastic reaction networks

    NASA Astrophysics Data System (ADS)

    Safta, Cosmin; Sargsyan, Khachik; Debusschere, Bert; Najm, Habib N.

    2015-01-01

    Direct solutions of the Chemical Master Equation (CME) governing Stochastic Reaction Networks (SRNs) are generally prohibitively expensive due to excessive numbers of possible discrete states in such systems. To enhance computational efficiency we develop a hybrid approach where the evolution of states with low molecule counts is treated with the discrete CME model while that of states with large molecule counts is modeled by the continuum Fokker-Planck equation. The Fokker-Planck equation is discretized using a 2nd order finite volume approach with appropriate treatment of flux components. The numerical construction at the interface between the discrete and continuum regions implements the transfer of probability reaction by reaction according to the stoichiometry of the system. The performance of this novel hybrid approach is explored for a two-species circadian model with computational efficiency gains of about one order of magnitude.

  9. Hybrid discrete/continuum algorithms for stochastic reaction networks

    SciTech Connect

    Safta, Cosmin; Sargsyan, Khachik; Debusschere, Bert; Najm, Habib N.

    2014-10-22

    Direct solutions of the Chemical Master Equation (CME) governing Stochastic Reaction Networks (SRNs) are generally prohibitively expensive due to excessive numbers of possible discrete states in such systems. To enhance computational efficiency we develop a hybrid approach where the evolution of states with low molecule counts is treated with the discrete CME model while that of states with large molecule counts is modeled by the continuum Fokker-Planck equation. The Fokker-Planck equation is discretized using a 2nd order finite volume approach with appropriate treatment of flux components to avoid negative probability values. The numerical construction at the interface between the discrete and continuum regions implements the transfer of probability reaction by reaction according to the stoichiometry of the system. As a result, the performance of this novel hybrid approach is explored for a two-species circadian model with computational efficiency gains of about one order of magnitude.

  10. Hybrid discrete/continuum algorithms for stochastic reaction networks

    SciTech Connect

    Safta, Cosmin Sargsyan, Khachik Debusschere, Bert Najm, Habib N.

    2015-01-15

    Direct solutions of the Chemical Master Equation (CME) governing Stochastic Reaction Networks (SRNs) are generally prohibitively expensive due to excessive numbers of possible discrete states in such systems. To enhance computational efficiency we develop a hybrid approach where the evolution of states with low molecule counts is treated with the discrete CME model while that of states with large molecule counts is modeled by the continuum Fokker–Planck equation. The Fokker–Planck equation is discretized using a 2nd order finite volume approach with appropriate treatment of flux components. The numerical construction at the interface between the discrete and continuum regions implements the transfer of probability reaction by reaction according to the stoichiometry of the system. The performance of this novel hybrid approach is explored for a two-species circadian model with computational efficiency gains of about one order of magnitude.

  11. Efficient entanglement criteria for discrete, continuous, and hybrid variables

    NASA Astrophysics Data System (ADS)

    Gessner, Manuel; Pezzè, Luca; Smerzi, Augusto

    2016-08-01

    We develop a method to construct entanglement criteria for arbitrary multipartite systems of discrete or continuous variables and hybrid combinations of both. While any set of local operators generates a sufficient condition for entanglement of arbitrary quantum states, a suitable set leads to a necessary and sufficient criterion for pure states. The criteria are readily implementable with existing technology and reveal entanglement that remains undetected by the respective state-of-the-art methods for discrete and continuous variables.

  12. Discrete dipole approximation for black carbon-containing aerosols in arbitrary mixing state: A hybrid discretization scheme

    NASA Astrophysics Data System (ADS)

    Moteki, Nobuhiro

    2016-07-01

    An accurate and efficient simulation of light scattering by an atmospheric black carbon (BC)-containing aerosol-a fractal-like cluster of hundreds of carbon monomers that is internally mixed with other aerosol compounds such as sulfates, organics, and water-remains challenging owing to the enormous diversities of such aerosols' size, shape, and mixing state. Although the discrete dipole approximation (DDA) is theoretically an exact numerical method that is applicable to arbitrary non-spherical inhomogeneous targets, in practice, it suffers from severe granularity-induced error and degradation of computational efficiency for such extremely complex targets. To solve this drawback, we propose herein a hybrid DDA method designed for arbitrary BC-containing aerosols: the monomer-dipole assumption is applied to a cluster of carbon monomers, whereas the efficient cubic-lattice discretization is applied to the remaining particle volume consisting of other materials. The hybrid DDA is free from the error induced by the surface granularity of carbon monomers that occurs in conventional cubic-lattice DDA. In the hybrid DDA, we successfully mitigate the artifact of neglecting the higher-order multipoles in the monomer-dipole assumption by incorporating the magnetic dipole in addition to the electric dipole into our DDA formulations. Our numerical experiments show that the hybrid DDA method is an efficient light-scattering solver for BC-containing aerosols in arbitrary mixing states. The hybrid DDA could be also useful for a cluster of metallic nanospheres associated with other dielectric materials.

  13. Hybrid discrete- and continuous-variable quantum information

    NASA Astrophysics Data System (ADS)

    Andersen, Ulrik L.; Neergaard-Nielsen, Jonas S.; van Loock, Peter; Furusawa, Akira

    2015-09-01

    Research in quantum information processing has followed two different directions: the use of discrete variables (qubits) and that of high-dimensional, continuous-variable Gaussian states (coherent and squeezed states). Recently, these two approaches have been converging in potentially more powerful hybrid protocols.

  14. Hybrid discrete/continuum algorithms for stochastic reaction networks

    DOE PAGESBeta

    Safta, Cosmin; Sargsyan, Khachik; Debusschere, Bert; Najm, Habib N.

    2014-10-22

    Direct solutions of the Chemical Master Equation (CME) governing Stochastic Reaction Networks (SRNs) are generally prohibitively expensive due to excessive numbers of possible discrete states in such systems. To enhance computational efficiency we develop a hybrid approach where the evolution of states with low molecule counts is treated with the discrete CME model while that of states with large molecule counts is modeled by the continuum Fokker-Planck equation. The Fokker-Planck equation is discretized using a 2nd order finite volume approach with appropriate treatment of flux components to avoid negative probability values. The numerical construction at the interface between the discretemore » and continuum regions implements the transfer of probability reaction by reaction according to the stoichiometry of the system. As a result, the performance of this novel hybrid approach is explored for a two-species circadian model with computational efficiency gains of about one order of magnitude.« less

  15. Discrete elements method of neutral particle transport

    SciTech Connect

    Mathews, K.A.

    1983-01-01

    A new discrete elements (L/sub N/) transport method is derived and compared to the discrete ordinates S/sub N/ method, theoretically and by numerical experimentation. The discrete elements method is more accurate than discrete ordinates and strongly ameliorates ray effects for the practical problems studied. The discrete elements method is shown to be more cost effective, in terms of execution time with comparable storage to attain the same accuracy, for a one-dimensional test case using linear characteristic spatial quadrature. In a two-dimensional test case, a vacuum duct in a shield, L/sub N/ is more consistently convergent toward a Monte Carlo benchmark solution than S/sub N/, using step characteristic spatial quadrature. An analysis of the interaction of angular and spatial quadrature in xy-geometry indicates the desirability of using linear characteristic spatial quadrature with the L/sub N/ method.

  16. Hybrid discrete choice models: Gained insights versus increasing effort.

    PubMed

    Mariel, Petr; Meyerhoff, Jürgen

    2016-10-15

    Hybrid choice models expand the standard models in discrete choice modelling by incorporating psychological factors as latent variables. They could therefore provide further insights into choice processes and underlying taste heterogeneity but the costs of estimating these models often significantly increase. This paper aims at comparing the results from a hybrid choice model and a classical random parameter logit. Point of departure for this analysis is whether researchers and practitioners should add hybrid choice models to their suite of models routinely estimated. Our comparison reveals, in line with the few prior studies, that hybrid models gain in efficiency by the inclusion of additional information. The use of one of the two proposed approaches, however, depends on the objective of the analysis. If disentangling preference heterogeneity is most important, hybrid model seems to be preferable. If the focus is on predictive power, a standard random parameter logit model might be the better choice. Finally, we give recommendations for an adequate use of hybrid choice models based on known principles of elementary scientific inference. PMID:27310534

  17. Nanorice Particles: Hybrid Plasmonic Nanostructures

    NASA Technical Reports Server (NTRS)

    Wang, Hui (Inventor); Brandl, Daniel (Inventor); Le, Fei (Inventor); Nordlander, Peter (Inventor); Halas, Nancy J. (Inventor)

    2010-01-01

    A new hybrid nanoparticle, i.e., a nanorice particle, which combines the intense local fields of nanorods with the highly tunable plasmon resonances of nanoshells, is described herein. This geometry possesses far greater structural tunability than previous nanoparticle geometries, along with much larger local field enhancements and far greater sensitivity as a surface plasmon resonance (SPR) nanosensor than presently known dielectric-conductive material nanostructures. In an embodiment, a nanoparticle comprises a prolate spheroid-shaped core having a first aspect ratio. The nanoparticle also comprises at least one conductive shell surrounding said prolate spheroid-shaped core. The nanoparticle has a surface plasmon resonance sensitivity of at least 600 nm RIU(sup.-1). Methods of making the disclosed nanorice particles are also described herein.

  18. Nonnegative Anisotropic Group Cross Sections: A Hybrid Monte Carlo-Discrete Elements-Discrete Ordinates Approach

    SciTech Connect

    DelGrande, J. Mark; Mathews, Kirk A.

    2001-09-15

    Conventional discrete ordinates transport calculations often produce negative fluxes due to unphysical negative scattering cross sections and/or as artifacts of spatial differencing schemes such as diamond difference. Inherently nonnegative spatial methods, such as the nonlinear, exponential characteristic spatial quadrature, eliminate negative fluxes while providing excellent accuracy, presuming the group-to-group, ordinate-to-ordinate cross sections are all nonnegative. A hybrid approach is introduced in which the flow from spatial cell to spatial cell uses discrete ordinates spatial quadratures, while anisotropic scattering of flux from one energy-angle bin (energy group and discrete element of solid angle) to another such bin is modeled using a Monte Carlo simulation to evaluate the bin-to-bin cross sections. The directional elements tile the sphere of directions; the ordinates for the spatial quadrature are at the centroids of the elements. The method is developed and contrasted with previous schemes for positive cross sections. An algorithm for evaluating the Monte Carlo (MC)-discrete elements (MC-DE) cross sections is described, and some test cases are presented. Transport calculations using MC-DE cross sections are compared with calculations using conventional cross sections and with MCNP calculations. In this testing, the new method is about as accurate as the conventional approach, and often is more accurate. The exponential characteristic spatial quadrature, using the MC-DE cross sections, is shown to provide useful results where linear characteristic and spherical harmonics provide negative scalar fluxes in every cell in a region.

  19. Controlling seepage in discrete particle simulations of biological systems.

    PubMed

    Gardiner, Bruce S; Joldes, Grand R; Wong, Kelvin K L; Tan, Chin Wee; Smith, David W

    2016-08-01

    It is now commonplace to represent materials in a simulation using assemblies of discrete particles. Sometimes, one wishes to maintain the integrity of boundaries between particle types, for example, when modelling multiple tissue layers. However, as the particle assembly evolves during a simulation, particles may pass across interfaces. This behaviour is referred to as 'seepage'. The aims of this study were (i) to examine the conditions for seepage through a confining particle membrane and (ii) to define some simple rules that can be employed to control seepage. Based on the force-deformation response of spheres with various sizes and stiffness, we develop analytic expressions for the force required to move a 'probe particle' between confining 'membrane particles'. We analyse the influence that particle's size and stiffness have on the maximum force that can act on the probe particle before the onset of seepage. The theoretical results are applied in the simulation of a biological cell under unconfined compression. PMID:26629728

  20. Discrete particle noise in a nonlinearly saturated plasma

    NASA Astrophysics Data System (ADS)

    Jenkins, Thomas; Lee, W. W.

    2006-04-01

    Understanding discrete particle noise in an equilibrium plasma has been an important topic since the early days of particle-in- cell (PIC) simulation [1]. In this paper, particle noise in a nonlinearly saturated system is investigated. We investigate the usefulness of the fluctuation-dissipation theorem (FDT) in a regime where drift instabilities are nonlinearly saturated. We obtain excellent agreement between the simulation results and our theoretical predictions of the noise properties. It is found that discrete particle noise always enhances the particle and thermal transport in the plasma, in agreement with the second law of thermodynamics. [1] C.K. Birdsall and A.B. Langdon, Plasma Physics via Computer Simulation, McGraw-Hill, New York (1985).

  1. Evolutionary design of discrete controllers for hybrid mechatronic systems

    NASA Astrophysics Data System (ADS)

    Dupuis, Jean-Francois; Fan, Zhun; Goodman, Erik

    2015-01-01

    This paper investigates the issue of evolutionary design of controllers for hybrid mechatronic systems. Finite State Automaton (FSA) is selected as the representation for a discrete controller due to its interpretability, fast execution speed and natural extension to a statechart, which is very popular in industrial applications. A case study of a two-tank system is used to demonstrate that the proposed evolutionary approach can lead to a successful design of an FSA controller for the hybrid mechatronic system, represented by a hybrid bond graph. Generalisation of the evolved FSA controller to unknown control targets is also tested. Further, a comparison with another type of controller, a lookahead controller, is conducted, with advantages and disadvantages of each discussed. The comparison sheds light on which type of controller representation is a better choice to use in various stages of the evolutionary design of controllers for hybrid mechatronic systems. Finally, some important future research directions are pointed out, leading to the major work of the succeeding part of the research.

  2. Hybrid Automated Diagnosis of Discrete/Continuous Systems

    NASA Technical Reports Server (NTRS)

    Park, Han; James, Mark; MacKey, Ryan; Cannon, Howard; Bajwa, Anapa; Maul, William

    2007-01-01

    A recently conceived method of automated diagnosis of a complex electromechanical system affords a complete set of capabilities for hybrid diagnosis in the case in which the state of the electromechanical system is characterized by both continuous and discrete values (as represented by analog and digital signals, respectively). The method is an integration of two complementary diagnostic systems: (1) beacon-based exception analysis for multi-missions (BEAM), which is primarily useful in the continuous domain and easily performs diagnoses in the presence of transients; and (2) Livingstone, which is primarily useful in the discrete domain and is typically restricted to quasi-steady conditions. BEAM has been described in several prior NASA Tech Briefs articles: "Software for Autonomous Diagnosis of Complex Systems" (NPO-20803), Vol. 26, No. 3 (March 2002), page 33; "Beacon-Based Exception Analysis for Multimissions" (NPO-20827), Vol. 26, No. 9 (September 2002), page 32; "Wavelet-Based Real-Time Diagnosis of Complex Systems" (NPO-20830), Vol. 27, No. 1 (January 2003), page 67; and "Integrated Formulation of Beacon-Based Exception Analysis for Multimissions" (NPO-21126), Vol. 27, No. 3 (March 2003), page 74. Briefly, BEAM is a complete data-analysis method, implemented in software, for real-time or off-line detection and characterization of faults. The basic premise of BEAM is to characterize a system from all available observations and train the characterization with respect to normal phases of operation. The observations are primarily continuous in nature. BEAM isolates anomalies by analyzing the deviations from nominal for each phase of operation. Livingstone is a model-based reasoner that uses a model of a system, controller commands, and sensor observations to track the system s state, and detect and diagnose faults. Livingstone models a system within the discrete domain. Therefore, continuous sensor readings, as well as time, must be discretized. To reason about

  3. A local adaptive discretization algorithm for Smoothed Particle Hydrodynamics

    NASA Astrophysics Data System (ADS)

    Spreng, Fabian; Schnabel, Dirk; Mueller, Alexandra; Eberhard, Peter

    2014-06-01

    In this paper, an extension to the Smoothed Particle Hydrodynamics (SPH) method is proposed that allows for an adaptation of the discretization level of a simulated continuum at runtime. By combining a local adaptive refinement technique with a newly developed coarsening algorithm, one is able to improve the accuracy of the simulation results while reducing the required computational cost at the same time. For this purpose, the number of particles is, on the one hand, adaptively increased in critical areas of a simulation model. Typically, these are areas that show a relatively low particle density and high gradients in stress or temperature. On the other hand, the number of SPH particles is decreased for domains with a high particle density and low gradients. Besides a brief introduction to the basic principle of the SPH discretization method, the extensions to the original formulation providing such a local adaptive refinement and coarsening of the modeled structure are presented in this paper. After having introduced its theoretical background, the applicability of the enhanced formulation, as well as the benefit gained from the adaptive model discretization, is demonstrated in the context of four different simulation scenarios focusing on solid continua. While presenting the results found for these examples, several properties of the proposed adaptive technique are discussed, e.g. the conservation of momentum as well as the existing correlation between the chosen refinement and coarsening patterns and the observed quality of the results.

  4. Transport and discrete particle noise in gyrokinetic simulations

    NASA Astrophysics Data System (ADS)

    Jenkins, Thomas; Lee, W. W.

    2006-10-01

    We present results from our recent investigations regarding the effects of discrete particle noise on the long-time behavior and transport properties of gyrokinetic particle-in-cell simulations. It is found that the amplitude of nonlinearly saturated drift waves is unaffected by discreteness-induced noise in plasmas whose behavior is dominated by a single mode in the saturated state. We further show that the scaling of this noise amplitude with particle count is correctly predicted by the fluctuation-dissipation theorem, even though the drift waves have driven the plasma from thermal equilibrium. As well, we find that the long-term behavior of the saturated system is unaffected by discreteness-induced noise even when multiple modes are included. Additional work utilizing a code with both total-f and δf capabilities is also presented, as part of our efforts to better understand the long- time balance between entropy production, collisional dissipation, and particle/heat flux in gyrokinetic plasmas.

  5. Determining Trajectory of Triboelectrically Charged Particles, Using Discrete Element Modeling

    NASA Technical Reports Server (NTRS)

    2008-01-01

    The Kennedy Space Center (KSC) Electrostatics and Surface Physics Laboratory is participating in an Innovative Partnership Program (IPP) project with an industry partner to modify a commercial off-the-shelf simulation software product to treat the electrodynamics of particulate systems. Discrete element modeling (DEM) is a numerical technique that can track the dynamics of particle systems. This technique, which was introduced in 1979 for analysis of rock mechanics, was recently refined to include the contact force interaction of particles with arbitrary surfaces and moving machinery. In our work, we endeavor to incorporate electrostatic forces into the DEM calculations to enhance the fidelity of the software and its applicability to (1) particle processes, such as electrophotography, that are greatly affected by electrostatic forces, (2) grain and dust transport, and (3) the study of lunar and Martian regoliths.

  6. Sand Production Modeling Using Superquadric Discrete Elements and Coupling of Fluid Flow and Particle Motion

    SciTech Connect

    Preece, D.S. Perkins, E.D.

    1999-02-10

    Techniques for modeling oil well sand production have been developed using the formulations for superquadric discrete elements and Darcy fluid flow. Discrete element models are generated using the new technique of particle cloning. Discrete element sources and sinks allow simulation of sand production from the initial state through the transition to an equilibrium state where particles are created and removed at the same rate.

  7. Entrainment of coarse grains using a discrete particle model

    SciTech Connect

    Valyrakis, Manousos; Arnold, Roger B. Jr.

    2014-10-06

    Conventional bedload transport models and incipient motion theories relying on a time-averaged boundary shear stress are incapable of accounting for the effects of fluctuating near-bed velocity in turbulent flow and are therefore prone to significant errors. Impulse, the product of an instantaneous force magnitude and its duration, has been recently proposed as an appropriate criterion for quantifying the effects of flow turbulence in removing coarse grains from the bed surface. Here, a discrete particle model (DPM) is used to examine the effects of impulse, representing a single idealized turbulent event, on particle entrainment. The results are classified according to the degree of grain movement into the following categories: motion prior to entrainment, initial dislodgement, and energetic displacement. The results indicate that in all three cases the degree of particle motion depends on both the force magnitude and the duration of its application and suggest that the effects of turbulence must be adequately accounted for in order to develop a more accurate method of determining incipient motion. DPM is capable of simulating the dynamics of grain entrainment and is an appropriate tool for further study of the fundamental mechanisms of sediment transport.

  8. Generation of Random Particle Packings for Discrete Element Models

    NASA Astrophysics Data System (ADS)

    Abe, S.; Weatherley, D.; Ayton, T.

    2012-04-01

    An important step in the setup process of Discrete Element Model (DEM) simulations is the generation of a suitable particle packing. There are quite a number of properties such a granular material specimen should ideally have, such as high coordination number, isotropy, the ability to fill arbitrary bounding volumes and the absence of locked-in stresses. An algorithm which is able to produce specimens fulfilling these requirements is the insertion based sphere packing algorithm originally proposed by Place and Mora, 2001 [2] and extended in this work. The algorithm works in two stages. First a number of "seed" spheres are inserted into the bounding volume. In the second stage the gaps between the "seed" spheres are filled by inserting new spheres in a way so they have D+1 (i.e. 3 in 2D, 4 in 3D) touching contacts with either other spheres or the boundaries of the enclosing volume. Here we present an implementation of the algorithm and a systematic statistical analysis of the generated sphere packings. The analysis of the particle radius distribution shows that they follow a power-law with an exponent ≈ D (i.e. ≈3 for a 3D packing and ≈2 for 2D). Although the algorithm intrinsically guarantees coordination numbers of at least 4 in 3D and 3 in 2D, the coordination numbers realized in the generated packings can be significantly higher, reaching beyond 50 if the range of particle radii is sufficiently large. Even for relatively small ranges of particle sizes (e.g. Rmin = 0.5Rmax) the maximum coordination number may exceed 10. The degree of isotropy of the generated sphere packing is also analysed in both 2D and 3D, by measuring the distribution of orientations of vectors joining the centres of adjacent particles. If the range of particle sizes is small, the packing algorithm yields moderate anisotropy approaching that expected for a face-centred cubic packing of equal-sized particles. However, once Rmin < 0.3Rmax a very high degree of isotropy is demonstrated in

  9. Discrete Particle Noise in Particle-in-Cell Simulations of Plasma Microturbulence

    SciTech Connect

    Nevins, W M; Dimits, A; Hammett, G

    2005-05-24

    Recent gyrokinetic simulations of electron temperature gradient (ETG) turbulence with flux-tube continuum codes vs. the global particle-in-cell (PIC) code GTC yielded different results despite similar plasma parameters. Differences between the simulations results were attributed to insufficient phase-space resolution and novel physics associated with toroidicity and/or global simulations. We have reproduced the results of the global PIC code using the flux-tube PIC code PG3EQ, thereby eliminating global effects as the cause of the discrepancy. We show that the late-time decay of ETG turbulence and the steady-state heat transport observed in these PIC simulations results from discrete particle noise. Discrete particle noise is a numerical artifact, so both these PG3EQ simulations and the previous GTC simulations have nothing to say about steady-state ETG turbulence and the associated anomalous heat transport. In the course of this work we develop three diagnostics which can help to determine if a particular PIC simulation has become dominated by discrete particle noise.

  10. Hybrid Ty virus-like particles.

    PubMed

    Adams, S E; Burns, N R; Layton, G T; Kingsman, A J

    1994-01-01

    Vaccines need to activate antigen presenting cells, overcome genetic restriction in T-cell responses and elicit both T and B memory cells. In order to produce recombinant vaccines which can do this, considerable effort has been put into developing particulate antigen presentation systems to generate polyvalent, high molecular weight antigens which should maximally stimulate the immune system. One such antigen-carrier system is based on the ability of a protein encoded by the yeast retrotransposon, Ty, to self-assemble into virus-like particles (VLPs). Ty-fusion proteins retain this ability to form particles and a range of hybrid VLPs carrying a variety of heterologous antigens have been produced and shown to elicit potent immune responses. Hybrid VLPs carrying human immunodeficiency virus (HIV) antigens stimulate the three main components of the immune system, namely antibody synthesis, T-cell proliferative responses and cytotoxic T-lymphocyte (CTL) responses. PMID:8046274

  11. Discrete elements method of neutral particle transport. Doctoral thesis

    SciTech Connect

    Mathews, K.A.

    1983-10-01

    A new 'discrete elements' (LN) transport method is derived and compared to the discrete ordinates SN method, theoretically and by numerical experimentation. The discrete elements method is more accurate than discrete ordinates and strongly ameliorates ray effects for the practical problems studied. The discrete elements method is shown to be more cost effective in terms of execution time with comparable storage to attain the same accuracy, for a one-dimensional test case using linear characteristic spatial quadrature. In a two-dimensional test case, a vacuum duct in a shield, LN is more consistently convergent toward a Monte Carlo benchmark solution than SN, using step characteristic spatial quadrature. An analysis of the interaction of angular and spatial quadrature in xy-geometry indicates the desirability of using linear characteristic spatial quadrature with the LN method. The discrete elements method is based on discretizing the Boltzmann equation over a set of elements of angle. The zeroth and first angular moments of the directional flux, over each element, are estimated by numerical quadrature and yield a flux-weighted average streaming direction for the element. (Data for this estimation are fluxes in fixed directions calculated as in SN.)

  12. The ESyS_Particle: A New 3-D Discrete Element Model with Single Particle Rotation

    NASA Astrophysics Data System (ADS)

    Wang, Yucang; Mora, Peter

    In this paper, the Discrete Element Model (DEM) is reviewed, and the ESyS_Particle, our new version of DEM, is introduced. We particularly highlight some of the major physical concerns about DEMs and major differences between our model and most current DEMs. In the new model, single particle rotation is introduced and represented by a unit quaternion. For each 3-D particle, six degrees of freedom are employed: three for translational motion, and three for orientation. Six kinds of relative motions are permitted between two neighboring particles, and six interactions are transferred, i.e., radial, two shearing forces, twisting and two bending torques. The relative rotation between two particles is decomposed into two sequence-independent rotations such that all interactions due to the relative motions between interactive rigid bodies can be uniquely determined. This algorithm can give more accurate results because physical principles are obeyed. A theoretical analysis about how to choose the model parameters is presented. Several numerical tests have been carried out, the results indicate that most laboratory tests can be well reproduced using our model.

  13. Dynamic hybrid algorithms for MAP inference in discrete MRFs.

    PubMed

    Alahari, Karteek; Kohli, Pushmeet; Torr, Philip H S

    2010-10-01

    In this paper, we present novel techniques that improve the computational and memory efficiency of algorithms for solving multilabel energy functions arising from discrete mrfs or crfs. These methods are motivated by the observations that the performance of minimization algorithms depends on: 1) the initialization used for the primal and dual variables and 2) the number of primal variables involved in the energy function. Our first method (dynamic alpha-expansion) works by "recycling" results from previous problem instances. The second method simplifies the energy function by "reducing" the number of unknown variables present in the problem. Further, we show that it can also be used to generate a good initialization for the dynamic alpha-expansion algorithm by "reusing" dual variables. We test the performance of our methods on energy functions encountered in the problems of stereo matching and color and object-based segmentation. Experimental results show that our methods achieve a substantial improvement in the performance of alpha-expansion, as well as other popular algorithms such as sequential tree-reweighted message passing and max-product belief propagation. We also demonstrate the applicability of our schemes for certain higher order energy functions, such as the one described in [1], for interactive texture-based image and video segmentation. In most cases, we achieve a 10-15 times speed-up in the computation time. Our modified alpha-expansion algorithm provides similar performance to Fast-PD, but is conceptually much simpler. Both alpha-expansion and Fast-PD can be made orders of magnitude faster when used in conjunction with the "reduce" scheme proposed in this paper. PMID:20724761

  14. Discrete Abstractions of Hybrid Systems: Verification of Safety and Application to User-Interface Design

    NASA Technical Reports Server (NTRS)

    Oishi, Meeko; Tomlin, Claire; Degani, Asaf

    2003-01-01

    Human interaction with complex hybrid systems involves the user, the automation's discrete mode logic, and the underlying continuous dynamics of the physical system. Often the user-interface of such systems displays a reduced set of information about the entire system. In safety-critical systems, how can we identify user-interface designs which do not have adequate information, or which may confuse the user? Here we describe a methodology, based on hybrid system analysis, to verify that a user-interface contains information necessary to safely complete a desired procedure or task. Verification within a hybrid framework allows us to account for the continuous dynamics underlying the simple, discrete representations displayed to the user. We provide two examples: a car traveling through a yellow light at an intersection and an aircraft autopilot in a landing/go-around maneuver. The examples demonstrate the general nature of this methodology, which is applicable to hybrid systems (not fully automated) which have operational constraints we can pose in terms of safety. This methodology differs from existing work in hybrid system verification in that we directly account for the user's interactions with the system.

  15. Addendum to 'A new hybrid algorithm for computing a fast discrete Fourier transform'

    NASA Technical Reports Server (NTRS)

    Reed, I. S.; Truong, T. K.; Benjauthrit, B.

    1981-01-01

    The reported investigation represents a continuation of a study conducted by Reed and Truong (1979), who proposed a hybrid algorithm for computing the discrete Fourier transform (DFT). The proposed technique employs a Winograd-type algorithm in conjunction with the Mersenne prime-number theoretic transform to perform a DFT. The implementation of the technique involves a considerable number of additions. The new investigation shows an approach which can reduce the number of additions significantly. It is proposed to use Winograd's algorithm for computing the Mersenne prime-number theoretic transform in the transform portion of the hybrid algorithm.

  16. Hybrid Raman/fiber Bragg grating sensor for distributed temperature and discrete dynamic strain measurements.

    PubMed

    Toccafondo, Iacopo; Taki, Mohammad; Signorini, Alessandro; Zaidi, Farhan; Nannipieri, Tiziano; Faralli, Stefano; Di Pasquale, Fabrizio

    2012-11-01

    We propose and experimentally demonstrate a hybrid fiber optic sensing technique that effectively combines Raman optical time domain reflectometry and in-line time-division-multiplexing for fiber Bragg grating (FBG) dynamic interrogation. The highly integrated proposed scheme employs broadband apodized low reflectivity FBGs with a single narrowband optical source and a shared receiver block, allowing for simultaneous measurements of distributed static temperature and discrete dynamic strain, over the same sensing fiber. PMID:23114320

  17. Discrete Element Modeling (DEM) of Triboelectrically Charged Particles: Revised Experiments

    NASA Technical Reports Server (NTRS)

    Hogue, Michael D.; Calle, Carlos I.; Curry, D. R.; Weitzman, P. S.

    2008-01-01

    In a previous work, the addition of basic screened Coulombic electrostatic forces to an existing commercial discrete element modeling (DEM) software was reported. Triboelectric experiments were performed to charge glass spheres rolling on inclined planes of various materials. Charge generation constants and the Q/m ratios for the test materials were calculated from the experimental data and compared to the simulation output of the DEM software. In this paper, we will discuss new values of the charge generation constants calculated from improved experimental procedures and data. Also, planned work to include dielectrophoretic, Van der Waals forces, and advanced mechanical forces into the software will be discussed.

  18. Investigation of light scattering as a technique for detecting discrete soot particles in a luminous flame

    NASA Technical Reports Server (NTRS)

    1978-01-01

    The practicability of using a classical light-scattering technique, involving comparison of angular scattering intensity patterns with theoretically determined Mie and Rayleight patterns, to detect discrete soot particles (diameter less than 50 nm) in premixed propane/air and propane/oxygen-helium flames is considered. The experimental apparatus employed in this investigation included a laser light source, a flat-flame burner, specially coated optics, a cooled photomultiplier detector, and a lock-in voltmeter readout. Although large, agglomerated soot particles were detected and sized, it was not possible to detect small, discrete particles. The limiting factor appears to be background scattering by the system's optics.

  19. A hybrid group method of data handling with discrete wavelet transform for GDP forecasting

    NASA Astrophysics Data System (ADS)

    Isa, Nadira Mohamed; Shabri, Ani

    2013-09-01

    This study is proposed the application of hybridization model using Group Method of Data Handling (GMDH) and Discrete Wavelet Transform (DWT) in time series forecasting. The objective of this paper is to examine the flexibility of the hybridization GMDH in time series forecasting by using Gross Domestic Product (GDP). A time series data set is used in this study to demonstrate the effectiveness of the forecasting model. This data are utilized to forecast through an application aimed to handle real life time series. This experiment compares the performances of a hybrid model and a single model of Wavelet-Linear Regression (WR), Artificial Neural Network (ANN), and conventional GMDH. It is shown that the proposed model can provide a promising alternative technique in GDP forecasting.

  20. Fabrication of Discrete Nanosized Cobalt Particles Encapsulated Inside Single-Walled Carbon Nanotubes

    SciTech Connect

    Zoican Loebick, C.; Majewska, M; Ren, F; Haller, G; Pfefferle, L

    2010-01-01

    Single-walled carbon nanotubes (SWNT) with encapsulated nanosized cobalt particles have been synthesized by a facile and scalable method. In this approach, SWNT were filled with a cobalt acetylacetonate solution in dichloromethane by ultrasonication. In a second step, exposure to hydrogen at different temperatures released discrete cobalt particles of controllable size inside the SWNT cavity. The SWNT-Co particles systems were characterized by transmission electron microscopy, X-ray absorption spectroscopy, Raman spectroscopy, and thermal gravimetric analysis.

  1. A hybrid method with deviational particles for spatial inhomogeneous plasma

    NASA Astrophysics Data System (ADS)

    Yan, Bokai

    2016-03-01

    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 [31], a Particle in Cell method and a Macro-Micro decomposition method [3] 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. This method is applicable in all regimes and significantly more efficient compared to a PIC-DSMC method near the fluid regime.

  2. Mesoscale dynamic coupling of finite- and discrete-element methods for fluid-particle interactions.

    PubMed

    Srivastava, S; Yazdchi, K; Luding, S

    2014-08-01

    A new method for two-way fluid-particle coupling on an unstructured mesoscopically coarse mesh is presented. In this approach, we combine a (higher order) finite-element method (FEM) on the moving mesh for the fluid with a soft sphere discrete-element method for the particles. The novel feature of the proposed scheme is that the FEM mesh is a dynamic Delaunay triangulation based on the positions of the moving particles. Thus, the mesh can be multi-purpose: it provides (i) a framework for the discretization of the Navier-Stokes equations, (ii) a simple tool for detecting contacts between moving particles, (iii) a basis for coarse-graining or upscaling, and (iv) coupling with other physical fields (temperature, electromagnetic, etc.). This approach is suitable for a wide range of dilute and dense particulate flows, because the mesh resolution adapts with particle density in a given region. Two-way momentum exchange is implemented using semi-empirical drag laws akin to other popular approaches; for example, the discrete particle method, where a finite-volume solver on a coarser, fixed grid is used. We validate the methodology with several basic test cases, including single- and double-particle settling with analytical and empirical expectations, and flow through ordered and random porous media, when compared against finely resolved FEM simulations of flow through fixed arrays of particles. PMID:24982251

  3. Ionospheric convection associated with discrete levels of particle precipitation

    SciTech Connect

    Foster, J.C.; Holt, J.M.; Musgrove, R.G.; Evans, D.S.

    1986-07-01

    A precipitation index is described which quantifies the intensity and spatial extent of high-latitude particle precipitation based on observations made along individual satellite passes. By sorting plasma-convection data according to this index, average patterns of the ionospheric convection electric field were derived from a data set consisting of five years' observations by the Millstone Hill radar. Reference to the instantaneous precipitation index, and the average patterns keyed to it, provides a means of characterizing the global precipitation and convection patterns throughout an event.

  4. Novel Discrete Element Method for 3D non-spherical granular particles.

    NASA Astrophysics Data System (ADS)

    Seelen, Luuk; Padding, Johan; Kuipers, Hans

    2015-11-01

    Granular materials are common in many industries and nature. The different properties from solid behavior to fluid like behavior are well known but less well understood. The main aim of our work is to develop a discrete element method (DEM) to simulate non-spherical granular particles. The non-spherical shape of particles is important, as it controls the behavior of the granular materials in many situations, such as static systems of packed particles. In such systems the packing fraction is determined by the particle shape. We developed a novel 3D discrete element method that simulates the particle-particle interactions for a wide variety of shapes. The model can simulate quadratic shapes such as spheres, ellipsoids, cylinders. More importantly, any convex polyhedron can be used as a granular particle shape. These polyhedrons are very well suited to represent non-rounded sand particles. The main difficulty of any non-spherical DEM is the determination of particle-particle overlap. Our model uses two iterative geometric algorithms to determine the overlap. The algorithms are robust and can also determine multiple contact points which can occur for these shapes. With this method we are able to study different applications such as the discharging of a hopper or silo. Another application the creation of a random close packing, to determine the solid volume fraction as a function of the particle shape.

  5. Development of a coupled discrete element (DEM)-smoothed particle hydrodynamics (SPH) simulation method for polyhedral particles

    NASA Astrophysics Data System (ADS)

    Nassauer, Benjamin; Liedke, Thomas; Kuna, Meinhard

    2016-03-01

    In the present paper, the direct coupling of a discrete element method (DEM) with polyhedral particles and smoothed particle hydrodynamics (SPH) is presented. The two simulation techniques are fully coupled in both ways through interaction forces between the solid DEM particles and the fluid SPH particles. Thus this simulation method provides the possibility to simulate the individual movement of polyhedral, sharp-edged particles as well as the flow field around these particles in fluid-saturated granular matter which occurs in many technical processes e.g. wire sawing, grinding or lapping. The coupled method is exemplified and validated by the simulation of a particle in a shear flow, which shows good agreement with analytical solutions.

  6. The Discrete Multi-Hybrid System for the Simulation of Solid-Liquid Flows

    PubMed Central

    Alexiadis, Alessio

    2015-01-01

    This study proposes a model based on the combination of Smoothed Particle Hydrodynamics, Coarse Grained Molecular Dynamics and the Discrete Element Method for the simulation of dispersed solid-liquid flows. The model can deal with a large variety of particle types (non-spherical, elastic, breakable, melting, solidifying, swelling), flow conditions (confined, free-surface, microscopic), and scales (from microns to meters). Various examples, ranging from biological fluids to lava flows, are simulated and discussed. In all cases, the model captures the most important features of the flow. PMID:25961561

  7. Preliminary discrete element modeling of a falling particle curtain for CSP central tower receivers

    NASA Astrophysics Data System (ADS)

    Zanino, R.; Ho, C. K.; Romano, D.; Savoldi, L.

    2016-05-01

    Current methods used to simulate the curtain thickness in a falling particle receiver lead to a poor agreement with the experiments. Here the Discrete Element Method (DEM) is proposed to address the problem, including both the top hopper and the interactions between particles in the model. Some first promising results are presented, showing an acceptable agreement between simulation and experiment for an ad-hoc set of input parameters. A sensitivity study provides a first assessment of the effects of the main input parameters of the model (boundary conditions at the release, particle Young's modulus, restitution coefficients and effective particle diameter) on the predicted curtain thickness.

  8. Particle models for discrete element modeling of bulk grain properties of wheat kernels

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Recent research has shown the potential of discrete element method (DEM) in simulating grain flow in bulk handling systems. Research has also revealed that simulation of grain flow with DEM requires establishment of appropriate particle models for each grain type. This research completes the three-p...

  9. Combining Particle Filters and Consistency-Based Approaches for Monitoring and Diagnosis of Stochastic Hybrid Systems

    NASA Technical Reports Server (NTRS)

    Narasimhan, Sriram; Dearden, Richard; Benazera, Emmanuel

    2004-01-01

    Fault detection and isolation are critical tasks to ensure correct operation of systems. When we consider stochastic hybrid systems, diagnosis algorithms need to track both the discrete mode and the continuous state of the system in the presence of noise. Deterministic techniques like Livingstone cannot deal with the stochasticity in the system and models. Conversely Bayesian belief update techniques such as particle filters may require many computational resources to get a good approximation of the true belief state. In this paper we propose a fault detection and isolation architecture for stochastic hybrid systems that combines look-ahead Rao-Blackwellized Particle Filters (RBPF) with the Livingstone 3 (L3) diagnosis engine. In this approach RBPF is used to track the nominal behavior, a novel n-step prediction scheme is used for fault detection and L3 is used to generate a set of candidates that are consistent with the discrepant observations which then continue to be tracked by the RBPF scheme.

  10. Implementing Molecular Dynamics on Hybrid High Performance Computers - Particle-Particle Particle-Mesh

    SciTech Connect

    Brown, W Michael; Kohlmeyer, Axel; Plimpton, Steven J; Tharrington, Arnold N

    2012-01-01

    The use of accelerators such as graphics processing units (GPUs) has become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybrid high-performance computers, machines with nodes containing more than one type of floating-point processor (e.g. CPU and GPU), are now becoming more prevalent due to these advantages. In this paper, we present a continuation of previous work implementing algorithms for using accelerators into the LAMMPS molecular dynamics software for distributed memory parallel hybrid machines. In our previous work, we focused on acceleration for short-range models with an approach intended to harness the processing power of both the accelerator and (multi-core) CPUs. To augment the existing implementations, we present an efficient implementation of long-range electrostatic force calculation for molecular dynamics. Specifically, we present an implementation of the particle-particle particle-mesh method based on the work by Harvey and De Fabritiis. We present benchmark results on the Keeneland InfiniBand GPU cluster. We provide a performance comparison of the same kernels compiled with both CUDA and OpenCL. We discuss limitations to parallel efficiency and future directions for improving performance on hybrid or heterogeneous computers.

  11. Implementing molecular dynamics on hybrid high performance computers - Particle-particle particle-mesh

    NASA Astrophysics Data System (ADS)

    Brown, W. Michael; Kohlmeyer, Axel; Plimpton, Steven J.; Tharrington, Arnold N.

    2012-03-01

    The use of accelerators such as graphics processing units (GPUs) has become popular in scientific computing applications due to their low cost, impressive floating-point capabilities, high memory bandwidth, and low electrical power requirements. Hybrid high-performance computers, machines with nodes containing more than one type of floating-point processor (e.g. CPU and GPU), are now becoming more prevalent due to these advantages. In this paper, we present a continuation of previous work implementing algorithms for using accelerators into the LAMMPS molecular dynamics software for distributed memory parallel hybrid machines. In our previous work, we focused on acceleration for short-range models with an approach intended to harness the processing power of both the accelerator and (multi-core) CPUs. To augment the existing implementations, we present an efficient implementation of long-range electrostatic force calculation for molecular dynamics. Specifically, we present an implementation of the particle-particle particle-mesh method based on the work by Harvey and De Fabritiis. We present benchmark results on the Keeneland InfiniBand GPU cluster. We provide a performance comparison of the same kernels compiled with both CUDA and OpenCL. We discuss limitations to parallel efficiency and future directions for improving performance on hybrid or heterogeneous computers.

  12. Discrete element method modeling of the triboelectric charging of polyethylene particles: Can particle size distribution and segregation reduce the charging?

    NASA Astrophysics Data System (ADS)

    Konopka, Ladislav; Kosek, Juraj

    2015-10-01

    Polyethylene particles of various sizes are present in industrial gas-dispersion reactors and downstream processing units. The contact of the particles with a device wall as well as the mutual particle collisions cause electrons on the particle surface to redistribute in the system. The undesirable triboelectric charging results in several operational problems and safety risks in industrial systems, for example in the fluidized-bed polymerization reactor. We studied the charging of polyethylene particles caused by the particle-particle interactions in gas. Our model employs the Discrete Element Method (DEM) describing the particle dynamics and incorporates the ‘Trapped Electron Approach’ as the physical basis for the considered charging mechanism. The model predicts the particle charge distribution for systems with various particle size distributions and various level of segregation. Simulation results are in a qualitative agreement with experimental observations of similar particulate systems specifically in two aspects: 1) Big particles tend to gain positive charge and small particles the negative one. 2) The wider the particle size distribution is, the more pronounced is the charging process. Our results suggest that not only the size distribution, but also the effect of the spatial segregation of the polyethylene particles significantly influence the resulting charge distribution ‘generated’ in the system. The level of particle segregation as well as the particle size distribution of polyethylene particles can be in practice adjusted by the choice of supported catalysts, by the conditions in the fluidized-bed polymerization reactor and by the fluid dynamics. We also attempt to predict how the reactor temperature affects the triboelectric charging of particles.

  13. Discrete Particle Swarm Optimization Routing Protocol for Wireless Sensor Networks with Multiple Mobile Sinks.

    PubMed

    Yang, Jin; Liu, Fagui; Cao, Jianneng; Wang, Liangming

    2016-01-01

    Mobile sinks can achieve load-balancing and energy-consumption balancing across the wireless sensor networks (WSNs). However, the frequent change of the paths between source nodes and the sinks caused by sink mobility introduces significant overhead in terms of energy and packet delays. To enhance network performance of WSNs with mobile sinks (MWSNs), we present an efficient routing strategy, which is formulated as an optimization problem and employs the particle swarm optimization algorithm (PSO) to build the optimal routing paths. However, the conventional PSO is insufficient to solve discrete routing optimization problems. Therefore, a novel greedy discrete particle swarm optimization with memory (GMDPSO) is put forward to address this problem. In the GMDPSO, particle's position and velocity of traditional PSO are redefined under discrete MWSNs scenario. Particle updating rule is also reconsidered based on the subnetwork topology of MWSNs. Besides, by improving the greedy forwarding routing, a greedy search strategy is designed to drive particles to find a better position quickly. Furthermore, searching history is memorized to accelerate convergence. Simulation results demonstrate that our new protocol significantly improves the robustness and adapts to rapid topological changes with multiple mobile sinks, while efficiently reducing the communication overhead and the energy consumption. PMID:27428971

  14. Discrete particle swarm optimization for identifying community structures in signed social networks.

    PubMed

    Cai, Qing; Gong, Maoguo; Shen, Bo; Ma, Lijia; Jiao, Licheng

    2014-10-01

    Modern science of networks has facilitated us with enormous convenience to the understanding of complex systems. Community structure is believed to be one of the notable features of complex networks representing real complicated systems. Very often, uncovering community structures in networks can be regarded as an optimization problem, thus, many evolutionary algorithms based approaches have been put forward. Particle swarm optimization (PSO) is an artificial intelligent algorithm originated from social behavior such as birds flocking and fish schooling. PSO has been proved to be an effective optimization technique. However, PSO was originally designed for continuous optimization which confounds its applications to discrete contexts. In this paper, a novel discrete PSO algorithm is suggested for identifying community structures in signed networks. In the suggested method, particles' status has been redesigned in discrete form so as to make PSO proper for discrete scenarios, and particles' updating rules have been reformulated by making use of the topology of the signed network. Extensive experiments compared with three state-of-the-art approaches on both synthetic and real-world signed networks demonstrate that the proposed method is effective and promising. PMID:24856248

  15. Damping of rotating beams with particle dampers: Discrete element method analysis

    NASA Astrophysics Data System (ADS)

    Els, D. N. J.

    2013-06-01

    The performance of particle dampers (PDs) under centrifugal loads was investigated. A test bench consisting of a rotating cantilever beam with a particle damper at the tip was developed (D. N. J. Els, AIAA Journal 49, 2228-2238 (2011)). Equal mass containers with different depths, filled with a range of uniform-sized steel ball bearings, were used as particle dampers. The experiments were duplicated numerically with a discrete element method (DEM) model, calibrated against the experimental data. The DEM model of the rotating beam with a PD at the tip captured the performance of the PD very well over a wide range of tests with different configurations and rotation velocities.

  16. A Review of Discrete Element Method (DEM) Particle Shapes and Size Distributions for Lunar Soil

    NASA Technical Reports Server (NTRS)

    Lane, John E.; Metzger, Philip T.; Wilkinson, R. Allen

    2010-01-01

    As part of ongoing efforts to develop models of lunar soil mechanics, this report reviews two topics that are important to discrete element method (DEM) modeling the behavior of soils (such as lunar soils): (1) methods of modeling particle shapes and (2) analytical representations of particle size distribution. The choice of particle shape complexity is driven primarily by opposing tradeoffs with total number of particles, computer memory, and total simulation computer processing time. The choice is also dependent on available DEM software capabilities. For example, PFC2D/PFC3D and EDEM support clustering of spheres; MIMES incorporates superquadric particle shapes; and BLOKS3D provides polyhedra shapes. Most commercial and custom DEM software supports some type of complex particle shape beyond the standard sphere. Convex polyhedra, clusters of spheres and single parametric particle shapes such as the ellipsoid, polyellipsoid, and superquadric, are all motivated by the desire to introduce asymmetry into the particle shape, as well as edges and corners, in order to better simulate actual granular particle shapes and behavior. An empirical particle size distribution (PSD) formula is shown to fit desert sand data from Bagnold. Particle size data of JSC-1a obtained from a fine particle analyzer at the NASA Kennedy Space Center is also fitted to a similar empirical PSD function.

  17. Discrete Particle Swarm Optimization Routing Protocol for Wireless Sensor Networks with Multiple Mobile Sinks

    PubMed Central

    Yang, Jin; Liu, Fagui; Cao, Jianneng; Wang, Liangming

    2016-01-01

    Mobile sinks can achieve load-balancing and energy-consumption balancing across the wireless sensor networks (WSNs). However, the frequent change of the paths between source nodes and the sinks caused by sink mobility introduces significant overhead in terms of energy and packet delays. To enhance network performance of WSNs with mobile sinks (MWSNs), we present an efficient routing strategy, which is formulated as an optimization problem and employs the particle swarm optimization algorithm (PSO) to build the optimal routing paths. However, the conventional PSO is insufficient to solve discrete routing optimization problems. Therefore, a novel greedy discrete particle swarm optimization with memory (GMDPSO) is put forward to address this problem. In the GMDPSO, particle’s position and velocity of traditional PSO are redefined under discrete MWSNs scenario. Particle updating rule is also reconsidered based on the subnetwork topology of MWSNs. Besides, by improving the greedy forwarding routing, a greedy search strategy is designed to drive particles to find a better position quickly. Furthermore, searching history is memorized to accelerate convergence. Simulation results demonstrate that our new protocol significantly improves the robustness and adapts to rapid topological changes with multiple mobile sinks, while efficiently reducing the communication overhead and the energy consumption. PMID:27428971

  18. Novel hybrid classified vector quantization using discrete cosine transform for image compression

    NASA Astrophysics Data System (ADS)

    Al-Fayadh, Ali; Hussain, Abir Jaafar; Lisboa, Paulo; Al-Jumeily, Dhiya

    2009-04-01

    We present a novel image compression technique using a classified vector Quantizer and singular value decomposition for the efficient representation of still images. The proposed method is called hybrid classified vector quantization. It involves a simple but efficient classifier-based gradient method in the spatial domain, which employs only one threshold to determine the class of the input image block, and uses three AC coefficients of discrete cosine transform coefficients to determine the orientation of the block without employing any threshold. The proposed technique is benchmarked with each of the standard vector quantizers generated using the k-means algorithm, standard classified vector quantizer schemes, and JPEG-2000. Simulation results indicate that the proposed approach alleviates edge degradation and can reconstruct good visual quality images with higher peak signal-to-noise ratio than the benchmarked techniques, or be competitive with them.

  19. Optimal design of sewer networks using cellular automata-based hybrid methods: Discrete and continuous approaches

    NASA Astrophysics Data System (ADS)

    Afshar, M. H.; Rohani, M.

    2012-01-01

    In this article, cellular automata based hybrid methods are proposed for the optimal design of sewer networks and their performance is compared with some of the common heuristic search methods. The problem of optimal design of sewer networks is first decomposed into two sub-optimization problems which are solved iteratively in a two stage manner. In the first stage, the pipe diameters of the network are assumed fixed and the nodal cover depths of the network are determined by solving a nonlinear sub-optimization problem. A cellular automata (CA) method is used for the solution of the optimization problem with the network nodes considered as the cells and their cover depths as the cell states. In the second stage, the nodal cover depths calculated from the first stage are fixed and the pipe diameters are calculated by solving a second nonlinear sub-optimization problem. Once again a CA method is used to solve the optimization problem of the second stage with the pipes considered as the CA cells and their corresponding diameters as the cell states. Two different updating rules are derived and used for the CA of the second stage depending on the treatment of the pipe diameters. In the continuous approach, the pipe diameters are considered as continuous variables and the corresponding updating rule is derived mathematically from the original objective function of the problem. In the discrete approach, however, an adhoc updating rule is derived and used taking into account the discrete nature of the pipe diameters. The proposed methods are used to optimally solve two sewer network problems and the results are presented and compared with those obtained by other methods. The results show that the proposed CA based hybrid methods are more efficient and effective than the most powerful search methods considered in this work.

  20. Improved discrete ordinates calculations for an approximate model of neutral particle transport in ducts

    SciTech Connect

    Garcia, R.D.M.; Ono, S.

    1999-09-01

    An improved implementation of the discrete ordinates method for computing neutral particle transport in ducts is presented. The considered one-dimensional model makes use of two basic functions to represent the transverse and azimuthal dependencies of the particle angular flux in the duct. It is shown that if the problem is decomposed into uncollided and collided problems prior to using the discrete ordinates approximation, the number of ordinates necessary to achieve a desired degree of accuracy in the solution can be greatly reduced, especially for long ducts with significant wall absorption. Further savings in computer time can be attained by employing a composite quadrature based on a (nonstandard) half-range quadrature that can be generated in an effective and efficient way with one of the classical methods in the constructive theory of orthogonal polynomials.

  1. The three-dimensional, discrete ordinates neutral particle transport code TORT: An overview

    SciTech Connect

    Azmy, Y.Y.

    1996-12-31

    The centerpiece of the Discrete Ordinates Oak Ridge System (DOORS), the three-dimensional neutral particle transport code TORT is reviewed. Its most prominent features pertaining to large applications, such as adjustable problem parameters, memory management, and coarse mesh methods, are described. Advanced, state-of-the-art capabilities including acceleration and multiprocessing are summarized here. Future enhancement of existing graphics and visualization tools is briefly presented.

  2. Discrete-element modelling and smoothed particle hydrodynamics: potential in the environmental sciences.

    PubMed

    Cleary, Paul W; Prakash, Mahesh

    2004-09-15

    Particle-based simulation methods, such as the discrete-element method and smoothed particle hydrodynamics, have specific advantages in modelling complex three-dimensional (3D) environmental fluid and particulate flows. The theory of both these methods and their relative advantages compared with traditional methods will be discussed. Examples of 3D flows on realistic topography illustrate the environmental application of these methods. These include the flooding of a river valley as a result of a dam collapse, coastal inundation by a tsunami, volcanic lava flow and landslides. Issues related to validation and quality data availability are also discussed. PMID:15306427

  3. Hybrid Gaussian-discrete variable representation for continuum electrons in molecules

    NASA Astrophysics Data System (ADS)

    Yip, Frank L.; McCurdy, C. William; Rescigno, Thomas N.

    2015-05-01

    A combined basis of analytic Gaussian functions and grid-based finite element discrete variable representation (FEM-DVR) with spherical harmonic expansion is specialized for description of continuum electron dynamics in the presence of electrons held fixed in core molecular orbitals. The applicability of this hybrid representation designed for general problems involving accurate determination of molecular continua wave functions is illustrated for photoionization of a second-row diatomic molecule, nitric oxide, NO. Accurate descriptions of such electron continuum dynamics are a necessary step towards analyzing correlated double continua photoejections. Examination of this hybrid method in comparison to a more computationally expensive pure grid-based single center expansion reveals several key advantages that by design make it attractive for describing processes involving one or more electrons moved to the continuum. Work supported by supported by the U.S. Dept of Energy, Office of Science, Division of Chemical Sciences of the Office of Basic Energy Sciences under Contract DE-AC02-05CH11231.

  4. Discrete particle model for bedload sediment transport in the surf zone

    NASA Astrophysics Data System (ADS)

    Calantoni, Joseph

    2002-04-01

    Predicting the evolution of nearshore bathymetry from the highest uprush of the swash offshore to the location of wave breaking is a difficult problem of significant importance, with economic, legal, engineering, scientific, and military implications for coastal environments. Despite the apparent accessibility of the phenomena of interest, namely, the motion of sand under the forcing of waves and currents, the predictive capability of existing models for nearshore evolution is poor. A detailed study of the forces exerted on individual sand grains is undertaken in an effort to elucidate sediment transport mechanisms in the surf zone. New results indicate that fluid acceleration is a particularly important feature of surf zone transport; likewise, the processes of particle size segregation and the role of particle shape are newly explored. The study methodology employs computer simulations that describe the collective and individual motions of discrete particles immersed in a Newtonian fluid having essentially arbitrary density and viscosity. In this study all particle properties are those of quartz sand, and the fluid properties correspond to saltwater at 20°C. Such discrete-particle models, having a basis in molecular dynamics studies, have a broad range of applications in addition to the sedimentological one of interest here; for example, similar methodologies have been applied to traffic flow, schooling fish, crowd control, and other problems in which the particulate nature of the phenomenon is of critical importance.

  5. 3D Discrete Element Model with 1 Million Particles: an Example of Hydro-fracturing

    NASA Astrophysics Data System (ADS)

    Liu, C.; Pollard, D. D.

    2013-12-01

    The Discrete Element Method (DEM) permits large relative motion and breakage of elements, and does not require re-meshing, for example as would the Finite Element Method. DEM has a wide range of applications in the fields of solid-earth geophysics, geomechanics, mining engineering, and structural geology. However, due to the computational cost, particle numbers of discrete element models are generally less than a few tens of thousands, which limits the applications. A new 3D DEM system 'MatDEM' can complete dynamic simulations of one million particles. The conversion formulas between particle parameters and model mechanical properties were derived, and the conversion of energy in DEM can be simulated. In a recent paper (Liu et al., 2013, JGR), the analytical solutions of elastic properties and failure modes of a 2D close-packed discrete element model were proposed. Based on these theoretical results, it is easy to create materials using DEM, which have similar mechanical properties to rock. Given the mechanical properties and state of stress, geologists and engineers can investigate the characteristics of rock deformation and failure under different conditions. MatDEM provides an alternative way to study the micro-macro relationships of rock and soil, and the evolution of geologic structures. As an example, MatDEM was used to investigate the generation and development of fluid driven fractures around a micro pore. The simulation result of fractures of an anisotropic 3D model, which includes 1 million particles, is demonstrated. Via parallel computing technology, MatDEM may handle tens of millions of particles in near future. Left: Fluid pressure is applied in the pore to generate fractures. Right: Simulation results (black segments represent fractures).

  6. Silicon PIN diode array hybrids for charged particle detection

    SciTech Connect

    Shapiro, S.L.; Dunwoodie, W.M.; Arens, J.F.; Jernigan, J.G.; Gaalema, S.

    1988-09-01

    We report on the design of silicon PIN diode array hybrids for use as charged particle detectors. A brief summary of the need for vertex detectors is presented. Circuitry, block diagrams and device specifications are included. 8 refs., 7 figs., 1 tab.

  7. Generation of discrete scattering cross sections and demonstration of Monte Carlo charged particle transport in the Milagro IMC code package

    SciTech Connect

    Walsh, J. A.; Palmer, T. S.; Urbatsch, T. J.

    2013-07-01

    A new method for generating discrete scattering cross sections to be used in charged particle transport calculations is investigated. The method of data generation is presented and compared to current methods for obtaining discrete cross sections. The new, more generalized approach allows greater flexibility in choosing a cross section model from which to derive discrete values. Cross section data generated with the new method is verified through a comparison with discrete data obtained with an existing method. Additionally, a charged particle transport capability is demonstrated in the time-dependent Implicit Monte Carlo radiative transfer code package, Milagro. The implementation of this capability is verified using test problems with analytic solutions as well as a comparison of electron dose-depth profiles calculated with Milagro and an already-established electron transport code. An initial investigation of a preliminary integration of the discrete cross section generation method with the new charged particle transport capability in Milagro is also presented. (authors)

  8. DNS with Discrete Element Modeling of Suspended Sediment Particles in an Open Channel Flow

    NASA Astrophysics Data System (ADS)

    Paksereht, Pedram; Apte, Sourabh; Finn, Justin

    2015-11-01

    Interactions of glass particles in water in a turbulent open channel flow over a smooth bed with gravity perpendicular to the mean flow is examined using direct numerical simulation (DNS) together with Lagrangian Discrete-Element-Model (DEM) for particles. The turbulent Reynolds number (Reτ) is 710 corresponding to the experimental observations of Righetti & Romano (JFM, 2004). Particles of size 200 microns with volume loading on the order of 10-3 are simulated using four-way coupling with standard models for drag, added mass, lift, pressure, and inter-particle collision forces. The presence of particles affect the outer as well as inner region of the wall layer where particle inertia and concentration are higher. The DNS-DEM is able to capture the fluid-particle interactions in the outer layer accurately. However, in the inner layer, an increase in mean as well as rms fluid velocity, as observed in the experiments, is not predicted by the DNS-DEM model. It is conjectured that particles slide and roll on the bottom wall, creating slip-like condition. Predictions using different models for drag and lift forces, as well as strong torque coupling are explored and compared with experimental data. Funding: NSF project #1133363, Sediment-Bed-Turbulence Coupling in Oscillatory Flows.

  9. Asymptotics of a Discrete-Time Particle System Near a Reflecting Boundary

    NASA Astrophysics Data System (ADS)

    Kuan, Jeffrey

    2013-01-01

    We examine a discrete-time Markovian particle system on ℕ×ℤ+ introduced in Defosseux (arXiv: 1012.0117v1 ). The boundary {0}×ℤ+ acts as a reflecting wall. The particle system lies in the Anisotropic Kardar-Parisi-Zhang with a wall universality class. After projecting to a single horizontal level, we take the long-time asymptotics and obtain the discrete Jacobi and symmetric Pearcey kernels. This is achieved by showing that the particle system is identical to a Markov chain arising from representations of O(∞) (introduced in Borodin and Kuan (Commun. Pure. Appl. Math. 63(7):831-894, 2010, arXiv: 0904.2607 )). The fixed-time marginals of this Markov chain are known to be determinantal point processes, allowing us to take the limit of the correlation kernel. We also give a simple example which shows that in the multi-level case, the particle system and the Markov chain evolve differently.

  10. A discrete mesoscopic particle model of the mechanics of a multi-constituent arterial wall.

    PubMed

    Witthoft, Alexandra; Yazdani, Alireza; Peng, Zhangli; Bellini, Chiara; Humphrey, Jay D; Karniadakis, George Em

    2016-01-01

    Blood vessels have unique properties that allow them to function together within a complex, self-regulating network. The contractile capacity of the wall combined with complex mechanical properties of the extracellular matrix enables vessels to adapt to changes in haemodynamic loading. Homogenized phenomenological and multi-constituent, structurally motivated continuum models have successfully captured these mechanical properties, but truly describing intricate microstructural details of the arterial wall may require a discrete framework. Such an approach would facilitate modelling interactions between or the separation of layers of the wall and would offer the advantage of seamless integration with discrete models of complex blood flow. We present a discrete particle model of a multi-constituent, nonlinearly elastic, anisotropic arterial wall, which we develop using the dissipative particle dynamics method. Mimicking basic features of the microstructure of the arterial wall, the model comprises an elastin matrix having isotropic nonlinear elastic properties plus anisotropic fibre reinforcement that represents the stiffer collagen fibres of the wall. These collagen fibres are distributed evenly and are oriented in four directions, symmetric to the vessel axis. Experimental results from biaxial mechanical tests of an artery are used for model validation, and a delamination test is simulated to demonstrate the new capabilities of the model. PMID:26790998

  11. A suspended-particle rosette multi-sampler for discrete biogeochemical sampling in low-particle-density waters

    SciTech Connect

    Breier, J. A.; Rauch, C. G.; McCartney, K.; Toner, B. M.; Fakra, S. C.; White, S. N.; German, C. R.

    2010-06-22

    To enable detailed investigations of early stage hydrothermal plume formation and abiotic and biotic plume processes we developed a new oceanographic tool. The Suspended Particulate Rosette sampling system has been designed to collect geochemical and microbial samples from the rising portion of deep-sea hydrothermal plumes. It can be deployed on a remotely operated vehicle for sampling rising plumes, on a wire-deployed water rosette for spatially discrete sampling of non-buoyant hydrothermal plumes, or on a fixed mooring in a hydrothermal vent field for time series sampling. It has performed successfully during both its first mooring deployment at the East Pacific Rise and its first remotely-operated vehicle deployments along the Mid-Atlantic Ridge. It is currently capable of rapidly filtering 24 discrete large-water-volume samples (30-100 L per sample) for suspended particles during a single deployment (e.g. >90 L per sample at 4-7 L per minute through 1 {mu}m pore diameter polycarbonate filters). The Suspended Particulate Rosette sampler has been designed with a long-term goal of seafloor observatory deployments, where it can be used to collect samples in response to tectonic or other events. It is compatible with in situ optical sensors, such as laser Raman or visible reflectance spectroscopy systems, enabling in situ particle analysis immediately after sample collection and before the particles alter or degrade.

  12. Pressure calculation in hybrid particle-field simulations.

    PubMed

    Milano, Giuseppe; Kawakatsu, Toshihiro

    2010-12-01

    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. PMID:21142296

  13. Simulation of the dynamic packing behavior of preparative chromatography columns via discrete particle modeling.

    PubMed

    Dorn, Martin; Hekmat, Dariusch

    2016-03-01

    Preparative packed-bed chromatography using polymer-based, compressible, porous resins is a powerful method for purification of macromolecular bioproducts. During operation, a complex, hysteretic, thus, history-dependent packed bed behavior is often observed but theoretical understanding of the causes is limited. Therefore, a rigorous modeling approach of the chromatography column on the particle scale has been made which takes into account interparticle micromechanics and fluid-particle interactions for the first time. A three-dimensional deterministic model was created by applying Computational Fluid Dynamics (CFD) coupled with the Discrete Element Method (DEM). The column packing behavior during either flow or mechanical compression was investigated in-silico and in laboratory experiments. A pronounced axial compression-relaxation profile was identified that differed for both compression strategies. Void spaces were clearly visible in the packed bed after compression. It was assumed that the observed bed inhomogeneity was because of a force-chain network at the particle scale. The simulation satisfactorily reproduced the measured behavior regarding packing compression as well as pressure-flow dependency. Furthermore, the particle Young's modulus and particle-wall friction as well as interparticle friction were identified as crucial parameters affecting packing dynamics. It was concluded that compaction of the chromatographic bed is rather because of particle rearrangement than particle deformation. © 2015 American Institute of Chemical Engineers Biotechnol. Prog., 32:363-371, 2016. PMID:26588806

  14. Intersecting dilated convex polyhedra method for modeling complex particles in discrete element method

    PubMed Central

    Nye, Ben; Kulchitsky, Anton V; Johnson, Jerome B

    2014-01-01

    This paper describes a new method for representing concave polyhedral particles in a discrete element method as unions of convex dilated polyhedra. This method offers an efficient way to simulate systems with a large number of (generally concave) polyhedral particles. The method also allows spheres, capsules, and dilated triangles to be combined with polyhedra using the same approach. The computational efficiency of the method is tested in two different simulation setups using different efficiency metrics for seven particle types: spheres, clusters of three spheres, clusters of four spheres, tetrahedra, cubes, unions of two octahedra (concave), and a model of a computer tomography scan of a lunar simulant GRC-3 particle. It is shown that the computational efficiency of the simulations degrades much slower than the increase in complexity of the particles in the system. The efficiency of the method is based on the time coherence of the system, and an efficient and robust distance computation method between polyhedra as particles never intersect for dilated particles. PMID:26300584

  15. Digital atom interferometer with single particle control on a discretized space-time geometry

    PubMed Central

    Steffen, Andreas; Alberti, Andrea; Alt, Wolfgang; Belmechri, Noomen; Hild, Sebastian; Karski, Michał; Widera, Artur; Meschede, Dieter

    2012-01-01

    Engineering quantum particle systems, such as quantum simulators and quantum cellular automata, relies on full coherent control of quantum paths at the single particle level. Here we present an atom interferometer operating with single trapped atoms, where single particle wave packets are controlled through spin-dependent potentials. The interferometer is constructed from a sequence of discrete operations based on a set of elementary building blocks, which permit composing arbitrary interferometer geometries in a digital manner. We use this modularity to devise a space-time analogue of the well-known spin echo technique, yielding insight into decoherence mechanisms. We also demonstrate mesoscopic delocalization of single atoms with a separation-to-localization ratio exceeding 500; this result suggests their utilization beyond quantum logic applications as nano-resolution quantum probes in precision measurements, being able to measure potential gradients with precision 5 × 10-4 in units of gravitational acceleration g. PMID:22665771

  16. Particle tracking approach for transport in three-dimensional discrete fracture networks: Particle tracking in 3-D DFNs

    SciTech Connect

    Makedonska, Nataliia; Painter, Scott L.; Bui, Quan M.; Gable, Carl W.; Karra, Satish

    2015-09-16

    The discrete fracture network (DFN) model is a method to mimic discrete pathways for fluid flow through a fractured low-permeable rock mass, and may be combined with particle tracking simulations to address solute transport. However, experience has shown that it is challenging to obtain accurate transport results in three-dimensional DFNs because of the high computational burden and difficulty in constructing a high-quality unstructured computational mesh on simulated fractures. We present a new particle tracking capability, which is adapted to control volume (Voronoi polygons) flow solutions on unstructured grids (Delaunay triangulations) on three-dimensional DFNs. The locally mass-conserving finite-volume approach eliminates mass balance-related problems during particle tracking. The scalar fluxes calculated for each control volume face by the flow solver are used to reconstruct a Darcy velocity at each control volume centroid. The groundwater velocities can then be continuously interpolated to any point in the domain of interest. The control volumes at fracture intersections are split into four pieces, and the velocity is reconstructed independently on each piece, which results in multiple groundwater velocities at the intersection, one for each fracture on each side of the intersection line. This technique enables detailed particle transport representation through a complex DFN structure. Verified for small DFNs, the new simulation capability enables numerical experiments on advective transport in large DFNs to be performed. As a result, we demonstrate this particle transport approach on a DFN model using parameters similar to those of crystalline rock at a proposed geologic repository for spent nuclear fuel in Forsmark, Sweden.

  17. Particle tracking approach for transport in three-dimensional discrete fracture networks: Particle tracking in 3-D DFNs

    DOE PAGESBeta

    Makedonska, Nataliia; Painter, Scott L.; Bui, Quan M.; Gable, Carl W.; Karra, Satish

    2015-09-16

    The discrete fracture network (DFN) model is a method to mimic discrete pathways for fluid flow through a fractured low-permeable rock mass, and may be combined with particle tracking simulations to address solute transport. However, experience has shown that it is challenging to obtain accurate transport results in three-dimensional DFNs because of the high computational burden and difficulty in constructing a high-quality unstructured computational mesh on simulated fractures. We present a new particle tracking capability, which is adapted to control volume (Voronoi polygons) flow solutions on unstructured grids (Delaunay triangulations) on three-dimensional DFNs. The locally mass-conserving finite-volume approach eliminates massmore » balance-related problems during particle tracking. The scalar fluxes calculated for each control volume face by the flow solver are used to reconstruct a Darcy velocity at each control volume centroid. The groundwater velocities can then be continuously interpolated to any point in the domain of interest. The control volumes at fracture intersections are split into four pieces, and the velocity is reconstructed independently on each piece, which results in multiple groundwater velocities at the intersection, one for each fracture on each side of the intersection line. This technique enables detailed particle transport representation through a complex DFN structure. Verified for small DFNs, the new simulation capability enables numerical experiments on advective transport in large DFNs to be performed. As a result, we demonstrate this particle transport approach on a DFN model using parameters similar to those of crystalline rock at a proposed geologic repository for spent nuclear fuel in Forsmark, Sweden.« less

  18. Discrete Particle Simulation Techniques for the Analysis of Colliding and Flowing Particulate Media

    NASA Astrophysics Data System (ADS)

    Mukherjee, Debanjan

    Flowing particulate media are ubiquitous in a wide spectrum of applications that include transport systems, fluidized beds, manufacturing and materials processing technologies, energy conversion and propulsion technologies, sprays, jets, slurry flows, and biological flows. The discrete nature of the media, along with their underlying coupled multi-physical interactions can lead to a variety of interesting phenomena, many of which are unique to such media - for example, turbulent diffusion and preferential concentration in particle laden flows, and soliton like excitation patterns in a vibrated pile of granular material. This dissertation explores the utility of numerical simulations based on the discrete element method and collision driven particle dynamics methods for analyzing flowing particulate media. Such methods are well-suited to handle phenomena involving particulate, granular, and discontinuous materials, and often provide abilities to tackle complicated physical phenomena, for which pursuing continuum based approaches might be difficult or sometimes insufficient. A detailed discussion on hierarchically representing coupled, multi-physical phenomena through simple models for underlying physical interactions is presented. Appropriate physical models for mechanical contact, conductive and convective heat exchange, fluid-particle interactions, adhesive and near-field effects, and interaction with applied electromagnetic fields are presented. Algorithmic details on assembling the interaction models into a large-scale simulation framework have been elaborated with illustrations. The assembled frameworks were used to develop a computer simulation library (named `Software Library for Discrete Element Simulations' (SLIDES) for the sake of reference and continued future development efforts) and aspects of the architecture and development of this library have also been addressed. This is an object-oriented discrete particle simulation library developed in Fortran

  19. Coupled discrete element and smoothed particle hydrodynamics simulations of the die filling process

    NASA Astrophysics Data System (ADS)

    Breinlinger, Thomas; Kraft, Torsten

    2015-08-01

    Die filling is an important part of the powder compaction process chain, where defects in the final part can be introduced—or prevented. Simulation of this process is therefore a goal for many part producers and has been studied by some researchers already. In this work, we focus on the influence of the surrounding air on the powder flow. We demonstrate the implementing and coupling of the discrete element method for the granular powder and the smoothed particle hydrodynamics method for the gas flow. Application of the method to the die filling process is demonstrated.

  20. Atomic filtering for hybrid continuous-variable/discrete-variable quantum optics.

    PubMed

    Zielińska, Joanna A; Beduini, Federica A; Lucivero, Vito Giovanni; Mitchell, Morgan W

    2014-10-20

    We demonstrate atomic filtering of frequency-degenerate photon pairs from a sub-threshold optical parametric oscillator (OPO). The filter, a modified Faraday anomalous dispersion optical filter (FADOF), achieves 70% peak transmission simultaneous with 57 dB out-of-band rejection and a 445 MHz transmission bandwidth. When applied to the OPO output, only the degenerate mode, containing one-mode squeezed vacuum, falls in the filter pass-band; all other modes are strongly suppressed. The high transmission preserves non-classical continuous-variable features, e.g. squeezing or non-gaussianity, while the high spectral purity allows reliable discrete-variable detection and heralding. Correlation and atomic absorption measurements indicate a spectral purity of 96% for the individual photons, and 98% for the photon pairs. These capabilities will enable generation of atom-resonant hybrid states, e.g. "Schrödinger kittens" obtained by photon subtraction from squeezed vacuum, making these exotic states available for quantum networking and atomic quantum metrology applications. PMID:25401564

  1. Particle tracking approach for transport in three-dimensional discrete fracture networks

    DOE PAGESBeta

    Makedonska, Nataliia; Painter, Scott L; Bui, Quan M; Gable, Carl; Karra, Satish

    2015-01-01

    The discrete fracture network (DFN) model is a method to mimic discrete pathways for fluid flow through a fractured low-permeable rock mass, and may be combined with particle tracking simulations to address solute transport. However, experience has shown that it is challenging to obtain accurate transport results in three-dimensional DFNs because of the high computational burden and difficulty in constructing a high-quality unstructured computational mesh on simulated fractures. We present a new particle tracking capability, which is adapted to control volume (Voronoi polygons) flow solutions on unstructured grids (Delaunay triangulations) on three-dimensional DFNs. The locally mass-conserving finite-volume approach eliminates massmore » balance related problems during particle tracking. The scalar fluxes calculated for each control volume face by the flow solver are used to reconstruct a Darcy velocity at each control volume centroid. The groundwater velocities can then be continuously interpolated to any point in the domain of interest. The control volumes at fracture intersections are split into four pieces and the velocity is reconstructed independently on each piece, which results in multiple groundwater velocities at the intersection, one for each fracture on each side of the intersection line. This technique enables detailed particle transport representation through a complex DFN structure. Verified for small DFNs, the new simulation capability enables numerical experiments on advective transport in large DFNs to be performed. We demonstrate this particle transport approach on a DFN model using parameters similar to those of crystalline rock at a proposed geologic repository for spent nuclear fuel in Forsmark, Sweden.« less

  2. Particle tracking approach for transport in three-dimensional discrete fracture networks

    SciTech Connect

    Makedonska, Nataliia; Painter, Scott L; Bui, Quan M; Gable, Carl; Karra, Satish

    2015-01-01

    The discrete fracture network (DFN) model is a method to mimic discrete pathways for fluid flow through a fractured low-permeable rock mass, and may be combined with particle tracking simulations to address solute transport. However, experience has shown that it is challenging to obtain accurate transport results in three-dimensional DFNs because of the high computational burden and difficulty in constructing a high-quality unstructured computational mesh on simulated fractures. We present a new particle tracking capability, which is adapted to control volume (Voronoi polygons) flow solutions on unstructured grids (Delaunay triangulations) on three-dimensional DFNs. The locally mass-conserving finite-volume approach eliminates mass balance related problems during particle tracking. The scalar fluxes calculated for each control volume face by the flow solver are used to reconstruct a Darcy velocity at each control volume centroid. The groundwater velocities can then be continuously interpolated to any point in the domain of interest. The control volumes at fracture intersections are split into four pieces and the velocity is reconstructed independently on each piece, which results in multiple groundwater velocities at the intersection, one for each fracture on each side of the intersection line. This technique enables detailed particle transport representation through a complex DFN structure. Verified for small DFNs, the new simulation capability enables numerical experiments on advective transport in large DFNs to be performed. We demonstrate this particle transport approach on a DFN model using parameters similar to those of crystalline rock at a proposed geologic repository for spent nuclear fuel in Forsmark, Sweden.

  3. Hybrid upwind discretization of nonlinear two-phase flow with gravity

    NASA Astrophysics Data System (ADS)

    Lee, S. H.; Efendiev, Y.; Tchelepi, H. A.

    2015-08-01

    Multiphase flow in porous media is described by coupled nonlinear mass conservation laws. For immiscible Darcy flow of multiple fluid phases, whereby capillary effects are negligible, the transport equations in the presence of viscous and buoyancy forces are highly nonlinear and hyperbolic. Numerical simulation of multiphase flow processes in heterogeneous formations requires the development of discretization and solution schemes that are able to handle the complex nonlinear dynamics, especially of the saturation evolution, in a reliable and computationally efficient manner. In reservoir simulation practice, single-point upwinding of the flux across an interface between two control volumes (cells) is performed for each fluid phase, whereby the upstream direction is based on the gradient of the phase-potential (pressure plus gravity head). This upwinding scheme, which we refer to as Phase-Potential Upwinding (PPU), is combined with implicit (backward-Euler) time discretization to obtain a Fully Implicit Method (FIM). Even though FIM suffers from numerical dispersion effects, it is widely used in practice. This is because of its unconditional stability and because it yields conservative, monotone numerical solutions. However, FIM is not unconditionally convergent. The convergence difficulties are particularly pronounced when the different immiscible fluid phases switch between co-current and counter-current states as a function of time, or (Newton) iteration. Whether the multiphase flow across an interface (between two control-volumes) is co-current, or counter-current, depends on the local balance between the viscous and buoyancy forces, and how the balance evolves in time. The sensitivity of PPU to small changes in the (local) pressure distribution exacerbates the problem. The common strategy to deal with these difficulties is to cut the timestep and try again. Here, we propose a Hybrid-Upwinding (HU) scheme for the phase fluxes, then HU is combined with implicit

  4. Discrete Particle Model for Porous Media Flow using OpenFOAM at Intel Xeon Phi Coprocessors

    NASA Astrophysics Data System (ADS)

    Shang, Zhi; Nandakumar, Krishnaswamy; Liu, Honggao; Tyagi, Mayank; Lupo, James A.; Thompson, Karten

    2015-11-01

    The discrete particle model (DPM) in OpenFOAM was used to study the turbulent solid particle suspension flows through the porous media of a natural dual-permeability rock. The 2D and 3D pore geometries of the porous media were generated by sphere packing with the radius ratio of 3. The porosity is about 38% same as the natural dual-permeability rock. In the 2D case, the mesh cells reach 5 million with 1 million solid particles and in the 3D case, the mesh cells are above 10 million with 5 million solid particles. The solid particles are distributed by Gaussian distribution from 20 μm to 180 μm with expectation as 100 μm. Through the numerical simulations, not only was the HPC studied using Intel Xeon Phi Coprocessors but also the flow behaviors of large scale solid suspension flows in porous media were studied. The authors would like to thank the support by IPCC@LSU-Intel Parallel Computing Center (LSU # Y1SY1-1) and the HPC resources at Louisiana State University (http://www.hpc.lsu.edu).

  5. Discharge flow of a bidisperse granular media from a silo: Discrete particle simulations.

    PubMed

    Zhou, Y; Ruyer, P; Aussillous, P

    2015-12-01

    Discrete particle simulations are used to study two-dimensional discharge flow from a silo using both monodisperse and bidisperse mixtures. The density and the velocity profiles through the aperture are measured. In the monodisperse case, two particles' diameters are studied for different outlet diameters. In the bidisperse case, we varied the fine mass fraction of the mixture. In all cases, the density and the velocity profiles are found to follow the same self-similar law. Based on these observations and the previous work of Benyamine et al., a physical model is proposed to describe the flow of bidisperse mixtures giving an explicit expression for the flow rate that is in good agreement with the results. PMID:26764679

  6. Development of perturbation Monte Carlo methods for polarized light transport in a discrete particle scattering model

    PubMed Central

    Nguyen, Jennifer; Hayakawa, Carole K.; Mourant, Judith R.; Venugopalan, Vasan; Spanier, Jerome

    2016-01-01

    We present a polarization-sensitive, transport-rigorous perturbation Monte Carlo (pMC) method to model the impact of optical property changes on reflectance measurements within a discrete particle scattering model. The model consists of three log-normally distributed populations of Mie scatterers that approximate biologically relevant cervical tissue properties. Our method provides reflectance estimates for perturbations across wavelength and/or scattering model parameters. We test our pMC model performance by perturbing across number densities and mean particle radii, and compare pMC reflectance estimates with those obtained from conventional Monte Carlo simulations. These tests allow us to explore different factors that control pMC performance and to evaluate the gains in computational efficiency that our pMC method provides. PMID:27231642

  7. Development of perturbation Monte Carlo methods for polarized light transport in a discrete particle scattering model.

    PubMed

    Nguyen, Jennifer; Hayakawa, Carole K; Mourant, Judith R; Venugopalan, Vasan; Spanier, Jerome

    2016-05-01

    We present a polarization-sensitive, transport-rigorous perturbation Monte Carlo (pMC) method to model the impact of optical property changes on reflectance measurements within a discrete particle scattering model. The model consists of three log-normally distributed populations of Mie scatterers that approximate biologically relevant cervical tissue properties. Our method provides reflectance estimates for perturbations across wavelength and/or scattering model parameters. We test our pMC model performance by perturbing across number densities and mean particle radii, and compare pMC reflectance estimates with those obtained from conventional Monte Carlo simulations. These tests allow us to explore different factors that control pMC performance and to evaluate the gains in computational efficiency that our pMC method provides. PMID:27231642

  8. GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method

    SciTech Connect

    Gong Chunye; Liu Jie; Chi Lihua; Huang Haowei; Fang Jingyue; Gong Zhenghu

    2011-07-01

    Graphics Processing Unit (GPU), originally developed for real-time, high-definition 3D graphics in computer games, now provides great faculty in solving scientific applications. The basis of particle transport simulation is the time-dependent, multi-group, inhomogeneous Boltzmann transport equation. The numerical solution to the Boltzmann equation involves the discrete ordinates (S{sub n}) method and the procedure of source iteration. In this paper, we present a GPU accelerated simulation of one energy group time-independent deterministic discrete ordinates particle transport in 3D Cartesian geometry (Sweep3D). The performance of the GPU simulations are reported with the simulations of vacuum boundary condition. The discussion of the relative advantages and disadvantages of the GPU implementation, the simulation on multi GPUs, the programming effort and code portability are also reported. The results show that the overall performance speedup of one NVIDIA Tesla M2050 GPU ranges from 2.56 compared with one Intel Xeon X5670 chip to 8.14 compared with one Intel Core Q6600 chip for no flux fixup. The simulation with flux fixup on one M2050 is 1.23 times faster than on one X5670.

  9. GPU accelerated simulations of 3D deterministic particle transport using discrete ordinates method

    NASA Astrophysics Data System (ADS)

    Gong, Chunye; Liu, Jie; Chi, Lihua; Huang, Haowei; Fang, Jingyue; Gong, Zhenghu

    2011-07-01

    Graphics Processing Unit (GPU), originally developed for real-time, high-definition 3D graphics in computer games, now provides great faculty in solving scientific applications. The basis of particle transport simulation is the time-dependent, multi-group, inhomogeneous Boltzmann transport equation. The numerical solution to the Boltzmann equation involves the discrete ordinates ( Sn) method and the procedure of source iteration. In this paper, we present a GPU accelerated simulation of one energy group time-independent deterministic discrete ordinates particle transport in 3D Cartesian geometry (Sweep3D). The performance of the GPU simulations are reported with the simulations of vacuum boundary condition. The discussion of the relative advantages and disadvantages of the GPU implementation, the simulation on multi GPUs, the programming effort and code portability are also reported. The results show that the overall performance speedup of one NVIDIA Tesla M2050 GPU ranges from 2.56 compared with one Intel Xeon X5670 chip to 8.14 compared with one Intel Core Q6600 chip for no flux fixup. The simulation with flux fixup on one M2050 is 1.23 times faster than on one X5670.

  10. Parallel machine scheduling with step-deteriorating jobs and setup times by a hybrid discrete cuckoo search algorithm

    NASA Astrophysics Data System (ADS)

    Guo, Peng; Cheng, Wenming; Wang, Yi

    2015-11-01

    This article considers the parallel machine scheduling problem with step-deteriorating jobs and sequence-dependent setup times. The objective is to minimize the total tardiness by determining the allocation and sequence of jobs on identical parallel machines. In this problem, the processing time of each job is a step function dependent upon its starting time. An individual extended time is penalized when the starting time of a job is later than a specific deterioration date. The possibility of deterioration of a job makes the parallel machine scheduling problem more challenging than ordinary ones. A mixed integer programming model for the optimal solution is derived. Due to its NP-hard nature, a hybrid discrete cuckoo search algorithm is proposed to solve this problem. In order to generate a good initial swarm, a modified Biskup-Hermann-Gupta (BHG) heuristic called MBHG is incorporated into the population initialization. Several discrete operators are proposed in the random walk of Lévy flights and the crossover search. Moreover, a local search procedure based on variable neighbourhood descent is integrated into the algorithm as a hybrid strategy in order to improve the quality of elite solutions. Computational experiments are executed on two sets of randomly generated test instances. The results show that the proposed hybrid algorithm can yield better solutions in comparison with the commercial solver CPLEX® with a one hour time limit, the discrete cuckoo search algorithm and the existing variable neighbourhood search algorithm.

  11. Numerical sedimentation particle-size analysis using the Discrete Element Method

    NASA Astrophysics Data System (ADS)

    Bravo, R.; Pérez-Aparicio, J. L.; Gómez-Hernández, J. J.

    2015-12-01

    Sedimentation tests are widely used to determine the particle size distribution of a granular sample. In this work, the Discrete Element Method interacts with the simulation of flow using the well known one-way-coupling method, a computationally affordable approach for the time-consuming numerical simulation of the hydrometer, buoyancy and pipette sedimentation tests. These tests are used in the laboratory to determine the particle-size distribution of fine-grained aggregates. Five samples with different particle-size distributions are modeled by about six million rigid spheres projected on two-dimensions, with diameters ranging from 2.5 ×10-6 m to 70 ×10-6 m, forming a water suspension in a sedimentation cylinder. DEM simulates the particle's movement considering laminar flow interactions of buoyant, drag and lubrication forces. The simulation provides the temporal/spatial distributions of densities and concentrations of the suspension. The numerical simulations cannot replace the laboratory tests since they need the final granulometry as initial data, but, as the results show, these simulations can identify the strong and weak points of each method and eventually recommend useful variations and draw conclusions on their validity, aspects very difficult to achieve in the laboratory.

  12. A two-dimensional discrete particle model of gravel bed river systems

    NASA Astrophysics Data System (ADS)

    MacVicar, B. J.; Parrott, L.; Roy, A. G.

    2006-09-01

    The formation of bed forms in gravel bed rivers acts as a control on stream ecology and the response of rivers to floods. Available models do not reproduce the range of observed bed forms and do not consider interactions between the bed and flow hydraulics. The model presented here considers a gravel bed river as a complex system in which sediment clasts are represented as discrete elements. Simple and local rules describe the sediment and flow dynamics. Using a trimodal sediment distribution, irregular forms that scale with particle diameter develop without explicit feedback mechanisms because of the tendency of large particles to roll along the bed surface and collect into chains. Feedback mechanisms such as imbrication increase the effective entrainment threshold of groups of large particles and increase the stability of these imbricate forms. A second type of bed form is associated with saltating grains and emerges where particles are transported at a preferred distance. The development and maintenance of larger-scale bed forms require feedback between the bed and flow properties. By allowing mean velocity to adjust to bed morphology and considering the effect of acceleration on turbulence generation and mean velocity profiles we demonstrate the emergence of forms similar in morphology to gravel sheets, dunes, and riffle pools. The model is best used to complement field-based studies and is suitable for testing hypotheses of streambed behavior.

  13. Structural optimization of Pt-Pd alloy nanoparticles using an improved discrete particle swarm optimization algorithm

    NASA Astrophysics Data System (ADS)

    Shao, Gui-Fang; Wang, Ting-Na; Liu, Tun-Dong; Chen, Jun-Ren; Zheng, Ji-Wen; Wen, Yu-Hua

    2015-01-01

    Pt-Pd alloy nanoparticles, as potential catalyst candidates for new-energy resources such as fuel cells and lithium ion batteries owing to their excellent reactivity and selectivity, have aroused growing attention in the past years. Since structure determines physical and chemical properties of nanoparticles, the development of a reliable method for searching the stable structures of Pt-Pd alloy nanoparticles has become of increasing importance to exploring the origination of their properties. In this article, we have employed the particle swarm optimization algorithm to investigate the stable structures of alloy nanoparticles with fixed shape and atomic proportion. An improved discrete particle swarm optimization algorithm has been proposed and the corresponding scheme has been presented. Subsequently, the swap operator and swap sequence have been applied to reduce the probability of premature convergence to the local optima. Furthermore, the parameters of the exchange probability and the 'particle' size have also been considered in this article. Finally, tetrahexahedral Pt-Pd alloy nanoparticles has been used to test the effectiveness of the proposed method. The calculated results verify that the improved particle swarm optimization algorithm has superior convergence and stability compared with the traditional one.

  14. Hybrid mesh/particle meshless method for modeling geological flows with discontinuous transport properties

    NASA Astrophysics Data System (ADS)

    Bourantas, Georgios; Lavier, Luc; Claus, Susanne; Van Dam, Tonie; Bordas, Stephane

    2015-04-01

    meshless point collocation Eulerian method, while energy equation are solved using a set of particles, distributed over the spatial domain, with the solution interpolated back to the Eulerian grid at every time step. This hybrid approach allows for the accurate calculation of fine thermal structures, through the ease of adaptivity offered by the flexibility of the particle method. The approximation space is constructed using the Discretization Correction Particle Strength Exchange (DC PSE) method. The proposed scheme gives the capability of solving flow equations (Stokes flow) in fully irregular geometries while particles, "sprinkled" in the spatial domain, are used to solve convection-diffusion problems avoiding the oscillation produced in the Eulerian approach. The resulting algebraic linear systems were solved using direct solvers. Our hybrid approach can capture sharp variations of stresses and thermal gradients in problems with a strongly variable viscosity and thermal conductivity as demonstrated through various benchmarking test cases such as the development of Rayleigh-Taylor instabilities, viscous heating and flows with non-Newtonian rheology.

  15. Hybrid finite element and Brownian dynamics method for charged particles

    NASA Astrophysics Data System (ADS)

    Huber, Gary A.; Miao, Yinglong; Zhou, Shenggao; Li, Bo; McCammon, J. Andrew

    2016-04-01

    Diffusion is often the rate-determining step in many biological processes. Currently, the two main computational methods for studying diffusion are stochastic methods, such as Brownian dynamics, and continuum methods, such as the finite element method. A previous study introduced a new hybrid diffusion method that couples the strengths of each of these two methods, but was limited by the lack of interactions among the particles; the force on each particle had to be from an external field. This study further develops the method to allow charged particles. The method is derived for a general multidimensional system and is presented using a basic test case for a one-dimensional linear system with one charged species and a radially symmetric system with three charged species.

  16. Hybrid Modeling Method for a DEP Based Particle Manipulation

    PubMed Central

    Miled, Mohamed Amine; Gagne, Antoine; Sawan, Mohamad

    2013-01-01

    In this paper, a new modeling approach for Dielectrophoresis (DEP) based particle manipulation is presented. The proposed method fulfills missing links in finite element modeling between the multiphysic simulation and the biological behavior. This technique is amongst the first steps to develop a more complex platform covering several types of manipulations such as magnetophoresis and optics. The modeling approach is based on a hybrid interface using both ANSYS and MATLAB to link the propagation of the electrical field in the micro-channel to the particle motion. ANSYS is used to simulate the electrical propagation while MATLAB interprets the results to calculate cell displacement and send the new information to ANSYS for another turn. The beta version of the proposed technique takes into account particle shape, weight and its electrical properties. First obtained results are coherent with experimental results. PMID:23364197

  17. Modeling the influence of particle morphology on the fracture behavior of silica sand using a 3D discrete element method

    NASA Astrophysics Data System (ADS)

    Cil, Mehmet B.; Alshibli, Khalid A.

    2015-02-01

    The constitutive behavior and deformation characteristics of uncemented granular materials are to a large extent derived from the fabric or geometry of the particle structure and the interparticle friction resulting from normal forces acting on particles or groups of particles. Granular materials consist of discrete particles with a fabric (microstructure) that changes under loading. Synchrotron micro-computed tomography (SMT) has emerged as a powerful non-destructive 3D scanning technique to study geomaterials. In this paper, SMT was used to acquire in situ scans of the oedometry test of a column of three silica sand particles. The sand is known as ASTM 20-30 Ottawa sand, and has a grain size between US sieves #20 (0.841 mm) and #30 (0.595 mm). The characteristics and evolution of particle fracture in sand were examined using SMT images, and a 3D discrete element method (DEM) was used to model the fracture behavior of sand particles. It adopts the bonded particle model to generate a crushable agglomerate that consists of a large number of small spherical sub-particles. The agglomerate shape matches the 3D physical shape of the tested sand particles by mapping the particle morphology from the SMT images. The paper investigates and discusses the influence of agglomerate packing (i.e., the number and size distribution of spherical sub-particles that constitute the agglomerate) and agglomerate shape on the fracture behavior of crushable particles.

  18. Effects of small particle numbers on long-term behaviour in discrete biochemical systems

    PubMed Central

    Ibrahim, Bashar; Dittrich, Peter

    2014-01-01

    Motivation: The functioning of many biological processes depends on the appearance of only a small number of a single molecular species. Additionally, the observation of molecular crowding leads to the insight that even a high number of copies of species do not guarantee their interaction. How single particles contribute to stabilizing biological systems is not well understood yet. Hence, we aim at determining the influence of single molecules on the long-term behaviour of biological systems, i.e. whether they can reach a steady state. Results: We provide theoretical considerations and a tool to analyse Systems Biology Markup Language models for the possibility to stabilize because of the described effects. The theory is an extension of chemical organization theory, which we called discrete chemical organization theory. Furthermore we scanned the BioModels Database for the occurrence of discrete chemical organizations. To exemplify our method, we describe an application to the Template model of the mitotic spindle assembly checkpoint mechanism. Availability and implementation: http://www.biosys.uni-jena.de/Services.html. Contact: bashar.ibrahim@uni-jena.de or dittrich@minet.uni-jena.de Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25161236

  19. Vertical Modes and Discrete Instabilities in Two-Dimensional Dust Particle Clusters

    NASA Astrophysics Data System (ADS)

    Qiao, Ke; Carmona-Reyes, Jorge; Kong, Jie; Matthews, Lorin; Hyde, Truell

    2013-10-01

    The coupling observed between horizontal and vertical wave modes in large plasma crystals and their resulting instability formation are current topics of interest, both theoretically and experimentally. Similarly, horizontal and vertical normal modes in finite dust clusters have been examined theoretically but to date, only horizontal modes have been experimentally observed. In this research, dust clusters are formed within a modified GEC rf reference cell, using a glass box placed on the lower powered electrode to provide horizontal confinement. The resulting thermal motion of the dust particles is tracked and analyzed. Using the power spectra obtained, both horizontal and vertical normal modes are identified and discrete instabilities as predicted theoretically are shown to be induced due to the coupling between the horizontal and vertical modes.

  20. Particle swarm optimization for discrete-time inverse optimal control of a doubly fed induction generator.

    PubMed

    Ruiz-Cruz, Riemann; Sanchez, Edgar N; Ornelas-Tellez, Fernando; Loukianov, Alexander G; Harley, Ronald G

    2013-12-01

    In this paper, the authors propose a particle swarm optimization (PSO) for a discrete-time inverse optimal control scheme of a doubly fed induction generator (DFIG). For the inverse optimal scheme, a control Lyapunov function (CLF) is proposed to obtain an inverse optimal control law in order to achieve trajectory tracking. A posteriori, it is established that this control law minimizes a meaningful cost function. The CLFs depend on matrix selection in order to achieve the control objectives; this matrix is determined by two mechanisms: initially, fixed parameters are proposed for this matrix by a trial-and-error method and then by using the PSO algorithm. The inverse optimal control scheme is illustrated via simulations for the DFIG, including the comparison between both mechanisms. PMID:24273145

  1. Transmission Expansion Planning - A Multiyear Dynamic Approach Using a Discrete Evolutionary Particle Swarm Optimization Algorithm

    NASA Astrophysics Data System (ADS)

    Rocha, M. C.; Saraiva, J. T.

    2012-10-01

    The basic objective of Transmission Expansion Planning (TEP) is to schedule a number of transmission projects along an extended planning horizon minimizing the network construction and operational costs while satisfying the requirement of delivering power safely and reliably to load centres along the horizon. This principle is quite simple, but the complexity of the problem and the impact on society transforms TEP on a challenging issue. This paper describes a new approach to solve the dynamic TEP problem, based on an improved discrete integer version of the Evolutionary Particle Swarm Optimization (EPSO) meta-heuristic algorithm. The paper includes sections describing in detail the EPSO enhanced approach, the mathematical formulation of the TEP problem, including the objective function and the constraints, and a section devoted to the application of the developed approach to this problem. Finally, the use of the developed approach is illustrated using a case study based on the IEEE 24 bus 38 branch test system.

  2. Study of discrete-particle effects in a one-dimensional plasma simulation with the Krook type collision model

    NASA Astrophysics Data System (ADS)

    Lai, Po-Yen; Chen, Liu; Lin-Liu, Y. R.; Chen, Shih-Hung

    2015-09-01

    The thermal relaxation time of a one-dimensional plasma has been demonstrated to scale with ND2 due to discrete particle effects by collisionless particle-in-cell (PIC) simulations, where ND is the particle number in a Debye length. The ND2 scaling is consistent with the theoretical analysis based on the Balescu-Lenard-Landau kinetic equation. However, it was found that the thermal relaxation time is anomalously shortened to scale with ND while externally introducing the Krook type collision model in the one-dimensional electrostatic PIC simulation. In order to understand the discrete particle effects enhanced by the Krook type collision model, the superposition principle of dressed test particles was applied to derive the modified Balescu-Lenard-Landau kinetic equation. The theoretical results are shown to be in good agreement with the simulation results when the collisional effects dominate the plasma system.

  3. The impact of sand slugs against beams and plates: Coupled discrete particle/finite element simulations

    NASA Astrophysics Data System (ADS)

    Liu, T.; Fleck, N. A.; Wadley, H. N. G.; Deshpande, V. S.

    2013-08-01

    The impact of a slug of dry sand particles against a metallic sandwich beam or circular sandwich plate is analysed in order to aid the design of sandwich panels for shock mitigation. The sand particles interact via a combined linear-spring-and-dashpot law whereas the face sheets and compressible core of the sandwich beam and plate are treated as rate-sensitive, elastic-plastic solids. The majority of the calculations are performed in two dimensions and entail the transverse impact of end-clamped monolithic and sandwich beams, with plane strain conditions imposed. The sand slug is of rectangular shape and comprises a random loose packing of identical, circular cylindrical particles. These calculations reveal that loading due to the sand is primarily inertial in nature with negligible fluid-structure interaction: the momentum transmitted to the beam is approximately equal to that of the incoming sand slug. For a slug of given incoming momentum, the dynamic deflection of the beam increases with decreasing duration of sand-loading until the impulsive limit is attained. Sandwich beams with thick, strong cores significantly outperform monolithic beams of equal areal mass. This performance enhancement is traced to the "sandwich effect" whereby the sandwich beams have a higher bending strength than that of the monolithic beams. Three-dimensional (3D) calculations are also performed such that the sand slug has the shape of a circular cylindrical column of finite height, and contains spherical sand particles. The 3D slug impacts a circular monolithic plate or sandwich plate and we show that sandwich plates with thick strong cores again outperform monolithic plates of equal areal mass. Finally, we demonstrate that impact by sand particles is equivalent to impact by a crushable foam projectile. The calculations on the equivalent projectile are significantly less intensive computationally, yet give predictions to within 5% of the full discrete particle calculations for the

  4. Particle/Continuum Hybrid Simulation in a Parallel Computing Environment

    NASA Technical Reports Server (NTRS)

    Baganoff, Donald

    1996-01-01

    The objective of this study was to modify an existing parallel particle code based on the direct simulation Monte Carlo (DSMC) method to include a Navier-Stokes (NS) calculation so that a hybrid solution could be developed. In carrying out this work, it was determined that the following five issues had to be addressed before extensive program development of a three dimensional capability was pursued: (1) find a set of one-sided kinetic fluxes that are fully compatible with the DSMC method, (2) develop a finite volume scheme to make use of these one-sided kinetic fluxes, (3) make use of the one-sided kinetic fluxes together with DSMC type boundary conditions at a material surface so that velocity slip and temperature slip arise naturally for near-continuum conditions, (4) find a suitable sampling scheme so that the values of the one-sided fluxes predicted by the NS solution at an interface between the two domains can be converted into the correct distribution of particles to be introduced into the DSMC domain, (5) carry out a suitable number of tests to confirm that the developed concepts are valid, individually and in concert for a hybrid scheme.

  5. Assembly of Hybrid Bacteriophage Qβ Virus-Like Particles

    PubMed Central

    Brown, Steven D.; Fiedler, Jason D.; Finn, M.G.

    2009-01-01

    Bacteriophage Qβ coat protein forms uniform virus-like particles when expressed recombinantly in a variety of organisms. We have inserted the IgG-binding Z domain at the carboxy terminus of the coat protein and coexpressed this chimeric subunit with native coat protein to create hybrid, IgG-binding virus-like particles. Extracellular osmolytes were found to have an effect on the incorporation efficiency of fusion proteins into VLPs in E. coli when a carbenicillin, but not a kanamycin, selection marker was used. The addition of sucrose to the growth media decreased incorporation efficiency; the osmoprotectant glycine betaine eliminated this effect. The decrease in efficiency was not observed when carbenicillin was omitted from the final expression culture. The addition of sodium chloride instead of sucrose gave rise to particles with a larger number of fusion proteins than the standard conditions. These results illustrate that cellular conditions should be taken into account even in apparently simple systems when natural or engineered protein nanoparticles are made. PMID:19848414

  6. Discrete Particle Model for Deformation of Assemblies of Steel Balls Under Extension: Application to Sandbox Models

    NASA Astrophysics Data System (ADS)

    Bibee, M. A.; Calantoni, J.; Sclater, J. G.

    2005-05-01

    Experiments on sandboxes provide a useful tool for understanding the deformation of both sedimentary sequences and the continental crust. Boerner and Sclater (1992) have shown that the deformation under extension of assemblies of steel balls can reproduce many of the basic features of these experiments. We use a discrete particle model (DPM) to simulate previously performed physical experiments, which consisted of extending close-packed assemblies of steel balls placed on a rubber sheet attached to moveable boundaries. Steel balls are modeled with spherical elements in the DPM where normal and tangential forces generated at contact points are modeled with springs and friction, respectively. The simulations allow for a quantitative examination of the displacement and rotation of each steel ball as well as provide estimates of the contact forces between them. We perform a suite of simulations to explore the behavior of the model due to variations in the material properties of the balls and rate of extension of the assembly. Qualitative visual analysis shows that the simulations reproduce the qualitative features from the physical experiments such as dilation, rotation, and fault formation. Our success in matching most of the major features of the experiment indicates that the DPM may have a real future in improving our understanding of the deformation of both sedimentary sequences and the continental crust.

  7. Understanding the mechanisms of sickle cell disease by simulations with a discrete particle model

    NASA Astrophysics Data System (ADS)

    Hui, Katrina; Lin, Guang; Pan, Wenxiao

    2013-01-01

    Sickle cell disease (SCD) is an inherited blood disorder characterized by rigid, sickle-shaped red blood cells (RBCs). Because of their rigidity and shape, sickle cells can get stuck in smaller blood vessels, causing blockages and depriving oxygen to tissues. This study develops and applies mathematical models to better understand the mechanism of SCD. Two-dimensional models of RBCs and blood vessels have been constructed by representing them as discrete particles interacting with different forces. The nonlinear, elastic property of healthy RBCs could be adequately reproduced using a cosine angle bending force and a worm-like chain spring force. With the ability to deform, RBCs can squeeze through narrow blood vessels. In modeling sickle cells as rigid bodies and applying repelling and friction forces from the blood vessel, this study shows that geometrical factors (dimensions of the sickle cell and blood vessels) as well as rigidity and adhesiveness of the sickle cell all play an important role in determining how, and if, sickle cells become trapped within narrow blood capillaries. With lack of data to validate the model, this study primarily provides a sensitivity analysis of factors influencing sickle cell occlusion and identified critical data to support future modeling.

  8. Robust Tracking Using Particle Filter with a Hybrid Feature

    NASA Astrophysics Data System (ADS)

    Zhao, Xinyue; Satoh, Yutaka; Takauji, Hidenori; Kaneko, Shun'ichi

    This paper presents a novel method for robust object tracking in video sequences using a hybrid feature-based observation model in a particle filtering framework. An ideal observation model should have both high ability to accurately distinguish objects from the background and high reliability to identify the detected objects. Traditional features are better at solving the former problem but weak in solving the latter one. To overcome that, we adopt a robust and dynamic feature called Grayscale Arranging Pairs (GAP), which has high discriminative ability even under conditions of severe illumination variation and dynamic background elements. Together with the GAP feature, we also adopt the color histogram feature in order to take advantage of traditional features in resolving the first problem. At the same time, an efficient and simple integration method is used to combine the GAP feature with color information. Comparative experiments demonstrate that object tracking with our integrated features performs well even when objects go across complex backgrounds.

  9. Collective behavior of self-propelling particles with kinematic constraints: The relation between the discrete and the continuous description

    NASA Astrophysics Data System (ADS)

    Ratushnaya, V. I.; Bedeaux, D.; Kulinskii, V. L.; Zvelindovsky, A. V.

    2007-07-01

    In two papers we proposed a continuum model for the dynamics of systems of self propelling particles with kinematic constraints on the velocities and discussed some of its properties. The model aims to be analogous to a discrete algorithm used in works by T. Vicsek et al. In this paper we derive the continuous hydrodynamic model from the discrete description. The similarities and differences between the resulting model and the hydrodynamic model postulated in our previous papers are discussed. The results clarify the assumptions used to obtain a continuous description.

  10. Electromagnetic excitation of particle suspensions in hydraulic fractures using a coupled lattice Boltzmann-discrete element model

    NASA Astrophysics Data System (ADS)

    Leonardi, Christopher R.; McCullough, Jon W. S.; Jones, Bruce D.; Williams, John R.

    2016-04-01

    This paper describes the development of a computational framework that can be used to describe the electromagnetic excitation of rigid, spherical particles in suspension. In this model the mechanical interaction and kinematic behaviour of the particles is modelled using the discrete element method, while the surrounding fluid mechanics is modelled using the lattice Boltzmann method. Electromagnetic effects are applied to the particles as an additional set of discrete element forces, and the implementation of these effects was validated by comparison to the theoretical equations of point charges for Coulomb's law and the Lorentz force equation. Oscillating single and multiple particle tests are used to investigate the sensitivity of particle excitation to variations in particle charge, field strength, and frequency. The further capabilities of the model are then demonstrated by a numerical illustration, in which a hydraulic fracture fluid is excited and monitored within a hydraulic fracture. This modelling explores the feasibility of using particle vibrations within the fracture fluid to aid in the monitoring of fracture propagation in unconventional gas reservoirs.

  11. Templated Formation of Discrete RNA and DNA:RNA Hybrid G-Quadruplexes and Their Interactions with Targeting Ligands.

    PubMed

    Bonnat, Laureen; Dejeu, Jérôme; Bonnet, Hugues; Génnaro, Béatrice; Jarjayes, Olivier; Thomas, Fabrice; Lavergne, Thomas; Defrancq, Eric

    2016-02-24

    G-rich RNA and DNA oligonucleotides derived from the human telomeric sequence were assembled onto addressable cyclopeptide platforms through oxime ligations and copper-catalyzed azide-alkyne cycloaddition (CuAAc) reactions. The resulting conjugates were able to fold into highly stable RNA and DNA:RNA hybrid G-quadruplex (G4) architectures as demonstrated by UV, circular dichroism (CD), and NMR spectroscopic analysis. Whereas rationally designed parallel RNA and DNA:RNA hybrid G4 topologies could be obtained, we could not force the formation of an antiparallel RNA G4 structure, thus supporting the idea that this topology is strongly disfavored. The binding affinities of four representative G4 ligands toward the discrete RNA and DNA:RNA hybrid G4 topologies were compared to the one obtained with the corresponding DNA G4 structure. Surface plasmon resonance (SPR) binding analysis suggests that the accessibility to G4 recognition elements is different among the three structures and supports the idea that G4 ligands might be shaped to achieve structure selectivity in a biological context. PMID:26808196

  12. Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems.

    PubMed

    Zhu, You-Liang; Lu, Zhong-Yuan; Milano, Giuseppe; Shi, An-Chang; Sun, Zhao-Yan

    2016-04-14

    To achieve simulations on large spatial and temporal scales with high molecular chemical specificity, a hybrid particle-field method was proposed recently. This method is developed by combining molecular dynamics and self-consistent field theory (MD-SCF). The MD-SCF method has been validated by successfully predicting the experimentally observable properties of several systems. Here we propose an efficient scheme for the inclusion of electrostatic interactions in the MD-SCF framework. In this scheme, charged molecules are interacting with the external fields that are self-consistently determined from the charge densities. This method is validated by comparing the structural properties of polyelectrolytes in solution obtained from the MD-SCF and particle-based simulations. Moreover, taking PMMA-b-PEO and LiCF3SO3 as examples, the enhancement of immiscibility between the ion-dissolving block and the inert block by doping lithium salts into the copolymer is examined by using the MD-SCF method. By employing GPU-acceleration, the high performance of the MD-SCF method with explicit treatment of electrostatics facilitates the simulation study of many problems involving polyelectrolytes. PMID:27001709

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

    NASA Astrophysics Data System (ADS)

    Verma, Harish Kumar; Jain, Cheshta

    2015-07-01

    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.

  14. A new hybrid algorithm for computing a fast discrete Fourier transform

    NASA Technical Reports Server (NTRS)

    Reed, I. S.; Truong, T. K.

    1979-01-01

    In this paper for certain long transform lengths, Winograd's algorithm for computing the discrete Fourier transform (DFT) is extended considerably. This is accomplished by performing the cyclic convolution, required by Winograd's method, with the Mersenne prime number-theoretic transform developed originally by Rader. This new algorithm requires fewer multiplications than either the standard fast Fourier transform (FFT) or Winograd's more conventional algorithm. However, more additions are required.

  15. Quasi-discrete particle motion in an externally imposed, ordered structure in a dusty plasma at high magnetic field

    SciTech Connect

    Thomas, Edward Konopka, Uwe; Lynch, Brian; Adams, Stephen; LeBlanc, Spencer; Merlino, Robert L.; Rosenberg, Marlene

    2015-11-15

    Dusty plasmas have been studied in argon, radio frequency (rf) glow discharge plasmas at magnetic fields up to 2.5 T where the electrons and ions are strongly magnetized. Plasmas are generated between two parallel plate electrodes where the lower, powered electrode is solid and the upper electrode supports a dual mesh consisting of #24 brass and #30 aluminum wire cloth. In this experiment, we study the formation of imposed ordered structures and particle dynamics as a function of magnetic field. Through observations of trapped particles and the quasi-discrete (i.e., “hopping”) motion of particles between the trapping locations, it is possible to make a preliminary estimate of the potential structure that confines the particles to a grid structure in the plasma. This information is used to gain insight into the formation of the imposed grid pattern of the dust particles in the plasma.

  16. Quasi-discrete particle motion in an externally imposed, ordered structure in a dusty plasma at high magnetic field

    NASA Astrophysics Data System (ADS)

    Thomas, Edward; Konopka, Uwe; Lynch, Brian; Adams, Stephen; LeBlanc, Spencer; Merlino, Robert L.; Rosenberg, Marlene

    2015-11-01

    Dusty plasmas have been studied in argon, radio frequency (rf) glow discharge plasmas at magnetic fields up to 2.5 T where the electrons and ions are strongly magnetized. Plasmas are generated between two parallel plate electrodes where the lower, powered electrode is solid and the upper electrode supports a dual mesh consisting of #24 brass and #30 aluminum wire cloth. In this experiment, we study the formation of imposed ordered structures and particle dynamics as a function of magnetic field. Through observations of trapped particles and the quasi-discrete (i.e., "hopping") motion of particles between the trapping locations, it is possible to make a preliminary estimate of the potential structure that confines the particles to a grid structure in the plasma. This information is used to gain insight into the formation of the imposed grid pattern of the dust particles in the plasma.

  17. Robustness properties of discrete time regulators, LOG regulators and hybrid systems

    NASA Technical Reports Server (NTRS)

    Stein, G.; Athans, M.

    1979-01-01

    Robustness properites of sample-data LQ regulators are derived which show that these regulators have fundamentally inferior uncertainty tolerances when compared to their continuous-time counterparts. Results are also presented in stability theory, multivariable frequency domain analysis, LQG robustness, and mathematical representations of hybrid systems.

  18. A new hybrid constructed from Dawson-like polyoxometalates and dicopper coordination compounds containing a discrete tridecameric water cluster

    NASA Astrophysics Data System (ADS)

    Yang, Hongxun; Cao, Minna; Gao, Shuiying; Cao, Rong

    2014-01-01

    A new organic-inorganic hybrid polyoxotungstates, [Cu2Cl(H2O)3(phen)2]2[H3SbW18O60]·7H2O (phen = 1,10-phenanthroline, 1), has been synthesized and characterized by elemental analyses, FTIR, TG, UV-DRS, XRPD, magnetic property and X-ray single crystal diffraction. The structure analyses reveal that complex 1 based on Dawson-like polyoxoanions and dicopper coordination cations exhibits 3D supramolecular network via hydrogen bonding and π-π stacking containing a new discrete tridecameric water cluster. The magnetic property of 1 was also investigated between 2 and 300 K, indicating the existence of antiferromagnetic exchange interaction between the Cu(II) centres.

  19. Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem

    PubMed Central

    2012-01-01

    The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al. PMID:22338640

  20. A discrete particle approach to simulate the combined effect of blast and sand impact loading of steel plates

    NASA Astrophysics Data System (ADS)

    Børvik, T.; Olovsson, L.; Hanssen, A. G.; Dharmasena, K. P.; Hansson, H.; Wadley, H. N. G.

    2011-05-01

    The structural response of a stainless steel plate subjected to the combined blast and sand impact loading from a buried charge has been investigated using a fully coupled approach in which a discrete particle method is used to determine the load due to the high explosive detonation products, the air shock and the sand, and a finite element method predicts the plate deflection. The discrete particle method is based on rigid, spherical particles that transfer forces between each other during collisions. This method, which is based on a Lagrangian formulation, has several advantages over coupled Lagrangian-Eulerian approaches as both advection errors and severe contact problems are avoided. The method has been validated against experimental tests where spherical 150 g C-4 charges were detonated at various stand-off distances from square, edge-clamped 3.4 mm thick AL-6XN stainless steel plates. The experiments were carried out for a bare charge, a charge enclosed in dry sand and a charge enclosed in fully saturated wet sand. The particle-based method is able to describe the physical interactions between the explosive reaction products and soil particles leading to a realistic prediction of the sand ejecta speed and momentum. Good quantitative agreement between the experimental and predicted deformation response of the plates is also obtained.

  1. Study of discrete-particle effects in a one-dimensional plasma simulation with the Krook type collision model

    SciTech Connect

    Lai, Po-Yen; Chen, Liu; Lin-Liu, Y. R.; Chen, Shih-Hung

    2015-09-15

    The thermal relaxation time of a one-dimensional plasma has been demonstrated to scale with N{sub D}{sup 2} due to discrete particle effects by collisionless particle-in-cell (PIC) simulations, where N{sub D} is the particle number in a Debye length. The N{sub D}{sup 2} scaling is consistent with the theoretical analysis based on the Balescu-Lenard-Landau kinetic equation. However, it was found that the thermal relaxation time is anomalously shortened to scale with N{sub D} while externally introducing the Krook type collision model in the one-dimensional electrostatic PIC simulation. In order to understand the discrete particle effects enhanced by the Krook type collision model, the superposition principle of dressed test particles was applied to derive the modified Balescu-Lenard-Landau kinetic equation. The theoretical results are shown to be in good agreement with the simulation results when the collisional effects dominate the plasma system.

  2. Synthesis of Discrete Alkyl-Silica Hybrid Nanowires and Their Assembly into Nanostructured Superhydrophobic Membranes.

    PubMed

    Yi, Deliang; Xu, Chenglong; Tang, Ruidie; Zhang, Xuehua; Caruso, Frank; Wang, Yajun

    2016-07-11

    We report the synthesis of highly flexible and mechanically robust hybrid silica nanowires (NWs) which can be used as novel building blocks to construct superhydrophobic functional materials with three-dimensional macroporous networks. The hybrid silica NWs, with an average diameter of 80 nm and tunable length of up to 12 μm, are prepared by anisotropic deposition of the hydrolyzed tetraethylorthosilicate in water/n-pentanol emulsions. A mechanistic investigation reveals that the trimethoxy(octadecyl)silane introduced to the water-oil interface in the synthesis plays key roles in stabilizing the water droplets to sub-100 nm and also growing a layer of octadecyl groups on the NW surface. This work opens a solution-based route for the one-pot preparation of monodisperse, hydrophobic silica NWs and represents an important step toward the bottom-up construction of 3D superhydrophobic materials and macroporous membranes. PMID:27278242

  3. Global exponential stability of hybrid bidirectional associative memory neural networks with discrete delays

    NASA Astrophysics Data System (ADS)

    Liao, Xiaofeng; Wong, Kwok-Wo

    2003-04-01

    In this paper, the dynamical characteristics of hybrid bidirectional associative memory neural networks with constant transmission delays are investigated. Without assuming symmetry of synaptic connection weights and monotonicity and differentiability of activation functions, Halanay-type inequalities (which are different from the approach of constructing Lyapunov functionals) are employed to derive the delay-independent sufficient conditions under which the networks converge exponentially to the equilibria associated with temporally uniform external inputs. Our results are less conservative and restrictive than previously known results.

  4. A hybridGaussian-discrete variable representation approach to molecular continuum processes II: application to photoionization of diatomic Li2+

    SciTech Connect

    Rescigno, Thomas N; Yip, Frank L.; McCurdy, C. William; Rescigno, Thomas N.

    2008-08-01

    We describe an approach for studying molecular photoionization with a hybrid basis that combines the functionality of analytic basis sets to represent electronic coordinates near the nuclei of a molecule with numerically-defined grid-based functions. We discuss the evaluation of the various classes of two-electron integrals that occur in a hybrid basis consisting of Gaussian type orbitals (GTOs) and discrete variable representation (DVR) functions. This combined basis is applied to calculate single photoionization cross sections for molecular Li_2+, which has a large equilibrium bond distance (R=5.86a_0). The highly non-spherical nature of Li_2+ molecules causes higher angular momentum components to contribute significantly to the cross section even at low photoelectron energies, resulting in angular distributions that appear to be f-wave dominated near the photoionization threshold. At higher energies, where the de Broglie wavelength of the photoelectron becomes comparable with the bond distance, interference effects appear in the photoionization cross section. These interference phenomena appear at much lower energies than would be expected for diatomic targets with shorter internuclear separations.

  5. Hybrid Gaussian-discrete-variable representation approach to molecular continuum processes: Application to photoionization of diatomic Li2+

    NASA Astrophysics Data System (ADS)

    Yip, F. L.; McCurdy, C. W.; Rescigno, T. N.

    2008-08-01

    We describe an approach for studying molecular photoionization with a hybrid basis that combines the functionality of analytic basis sets to represent electronic coordinates near the nuclei of a molecule with numerically defined grid-based functions. We discuss the evaluation of the various classes of two-electron integrals that occur in a hybrid basis consisting of Gaussian-type orbitals and discrete-variable representation functions. This combined basis is applied to calculate single photoionization cross sections for molecular Li2+ , which has a large equilibrium bond distance (R=5.86a0) . The highly nonspherical nature of Li2+ molecules causes higher angular momentum components to contribute significantly to the cross section even at low photoelectron energies, resulting in angular distributions that appear to be f -wave dominated near the photoionization threshold. At higher energies, where the de Broglie wavelength of the photoelectron becomes comparable with the bond distance, interference effects appear in the photoionization cross section. These interference phenomena appear at much lower energies than would be expected for diatomic targets with shorter internuclear separations.

  6. Resonation-based hybrid continuous-time/discrete-time cascade ΣΔ modulators: application to 4G wireless telecom

    NASA Astrophysics Data System (ADS)

    de la Rosa, José M.; Morgado, Alonso; del Río, Rocío

    2009-05-01

    This paper presents innovative architectures of hybrid Continuous-Time/Discrete-Time (CT/DT) cascade ΣΔ Modulators (ΣΔMs) made up of a front-end CT stage and a back-end DT stage. In addition to increasing the digitized signal bandwidth as compared to conventional ΣΔMs, the proposed topologies take advantage of the CT nature of the front-end ΣΔM stage, by embedding anti-aliasing filtering as well as their suitability to operate up to the GHz range. Moreover, the presented modulators include multi-bit quantization and Unity Signal Transfer Function (USTF) in both stages to reduce the integrator output swings, and programmable resonation to optimally distribute the zeroes of the overall Noise Transfer Function (NTF), such that the in-band quantization noise is minimized for each operation mode. Both local and inter-stage (global) based resonation architectures are synthesized and compared in terms of their circuit complexity, resolution-bandwidth programmability and robustness with respect to circuit non-ideal effects. The combination of all mentioned characteristics results in novel hybrid ΣΔMs, very suited for the implementation of adaptive/reconfigurable Analog-to-Digital Converters (ADCs) intended for the 4th Generation (4G) of wireless telecom systems.

  7. A hybrid mathematical model for controlling particle size, particle size distribution, and color properties of toner particles

    NASA Astrophysics Data System (ADS)

    Ataeefard, Maryam; Shadman, Alireza; Saeb, Mohammad Reza; Mohammadi, Yousef

    2016-08-01

    A mathematical modeling approach was proposed combining the capabilities of response surface methodology (RSM) and desirability function (DF) and implemented successfully in production of printing toner particles. Toner powders were systematically synthesized through suspension copolymerization process. Applying RSM, a series of experiments were designed and toner particles were prepared and the effects of monomer ratio, colorant and surfactant content on the particle size (PS), particle size distribution (PSD), thermal and colorimetric properties (∆ E) of the resulting toner were monitored and discussed. The second-order models corresponding to each target characteristic, i.e., PS, PSD, and ∆ E of different types of toner powders, were obtained by individual optimization to express variation of each property in terms of polymerization parameters. Applying statistical calculations, the best reduced models were identified to be fed in the second step of optimization. Since toners with appropriate PS, PSD, and CP were needed, we applied multi-objective optimization based on DF approach. The results show that exact tuning of toner properties is closely possible with the aid of hybrid mathematical model developed in this work. Noticeably, desirabilities are very close to 100 %.

  8. Hybrid pathwise sensitivity methods for discrete stochastic models of chemical reaction systems

    SciTech Connect

    Wolf, Elizabeth Skubak; Anderson, David F.

    2015-01-21

    Stochastic models are often used to help understand the behavior of intracellular biochemical processes. The most common such models are continuous time Markov chains (CTMCs). Parametric sensitivities, which are derivatives of expectations of model output quantities with respect to model parameters, are useful in this setting for a variety of applications. In this paper, we introduce a class of hybrid pathwise differentiation methods for the numerical estimation of parametric sensitivities. The new hybrid methods combine elements from the three main classes of procedures for sensitivity estimation and have a number of desirable qualities. First, the new methods are unbiased for a broad class of problems. Second, the methods are applicable to nearly any physically relevant biochemical CTMC model. Third, and as we demonstrate on several numerical examples, the new methods are quite efficient, particularly if one wishes to estimate the full gradient of parametric sensitivities. The methods are rather intuitive and utilize the multilevel Monte Carlo philosophy of splitting an expectation into separate parts and handling each in an efficient manner.

  9. Hybrid selection of discrete genomic intervals on custom-designed microarrays for massively parallel sequencing

    PubMed Central

    Hodges, Emily; Rooks, Michelle; Xuan, Zhenyu; Bhattacharjee, Arindam; Gordon, D Benjamin; Brizuela, Leonardo; McCombie, W Richard; Hannon, Gregory J

    2010-01-01

    Complementary techniques that deepen information content and minimize reagent costs are required to realize the full potential of massively parallel sequencing. Here, we describe a resequencing approach that directs focus to genomic regions of high interest by combining hybridization-based purification of multi-megabase regions with sequencing on the Illumina Genome Analyzer (GA). The capture matrix is created by a microarray on which probes can be programmed as desired to target any non-repeat portion of the genome, while the method requires only a basic familiarity with microarray hybridization. We present a detailed protocol suitable for 1–2 µg of input genomic DNA and highlight key design tips in which high specificity (>65% of reads stem from enriched exons) and high sensitivity (98% targeted base pair coverage) can be achieved. We have successfully applied this to the enrichment of coding regions, in both human and mouse, ranging from 0.5 to 4 Mb in length. From genomic DNA library production to base-called sequences, this procedure takes approximately 9–10 d inclusive of array captures and one Illumina flow cell run. PMID:19478811

  10. A discrete ``three-particle'' Schrödinger operator in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Eshkabilov, Yu. Kh.

    2006-11-01

    In the space L 2(T ν ×T ν ), where T ν is a ν-dimensional torus, we study the spectral properties of the “three-particle” discrete Schrödinger operator Ĥ = H0 + H1 + H2, where H0 is the operator of multiplication by a function and H1 and H2 are partial integral operators. We prove several theorems concerning the essential spectrum of Ĥ. We study the discrete and essential spectra of the Hamiltonians Ht and h arising in the Hubbard model on the three-dimensional lattice.

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

    PubMed

    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. PMID:26639677

  12. 1-D EQUILIBRIUM DISCRETE DIFFUSION MONTE CARLO

    SciTech Connect

    T. EVANS; ET AL

    2000-08-01

    We present a new hybrid Monte Carlo method for 1-D equilibrium diffusion problems in which the radiation field coexists with matter in local thermodynamic equilibrium. This method, the Equilibrium Discrete Diffusion Monte Carlo (EqDDMC) method, combines Monte Carlo particles with spatially discrete diffusion solutions. We verify the EqDDMC method with computational results from three slab problems. The EqDDMC method represents an incremental step toward applying this hybrid methodology to non-equilibrium diffusion, where it could be simultaneously coupled to Monte Carlo transport.

  13. Isolation of Discrete Nanoparticle-DNA Conjugates for Plasmonic Applications

    SciTech Connect

    Alivisatos, Paul; Claridge, Shelley A.; Liang, Huiyang W.; Basu, Sourav Roger; Frechet, Jean M.J.; Alivisatos, A. Paul

    2008-04-11

    Discrete DNA-gold nanoparticle conjugates with DNA lengths as short as 15 bases for both 5 nm and 20 nm gold particles have been purified by anion-exchange HPLC. Conjugates comprising short DNA (<40 bases) and large gold particles (>_ 20 nm) are difficult to purify by other means, and are potential substrates for plasmon coupling experiments. Conjugate purity is demonstrated by hybridizing complementary conjugates to form discrete structures, which are visualized by TEM.

  14. Material and interaction properties of selected grains and oilseeds for modeling discrete particles

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Experimental investigations of grain flow can be expensive and time-consuming, but computer simulations can reduce the large effort required to evaluate the flow of grain in handling operations. Published data on material and interaction properties of selected grains and oilseeds relevant to Discret...

  15. Computationally efficient approach for solving time dependent diffusion equation with discrete temporal convolution applied to granular particles of battery electrodes

    NASA Astrophysics Data System (ADS)

    Senegačnik, Jure; Tavčar, Gregor; Katrašnik, Tomaž

    2015-03-01

    The paper presents a computationally efficient method for solving the time dependent diffusion equation in a granule of the Li-ion battery's granular solid electrode. The method, called Discrete Temporal Convolution method (DTC), is based on a discrete temporal convolution of the analytical solution of the step function boundary value problem. This approach enables modelling concentration distribution in the granular particles for arbitrary time dependent exchange fluxes that do not need to be known a priori. It is demonstrated in the paper that the proposed method features faster computational times than finite volume/difference methods and Padé approximation at the same accuracy of the results. It is also demonstrated that all three addressed methods feature higher accuracy compared to the quasi-steady polynomial approaches when applied to simulate the current densities variations typical for mobile/automotive applications. The proposed approach can thus be considered as one of the key innovative methods enabling real-time capability of the multi particle electrochemical battery models featuring spatial and temporal resolved particle concentration profiles.

  16. A hybrid approach for the modal analysis of continuous systems with discrete piecewise-linear constraints

    NASA Astrophysics Data System (ADS)

    Brake, M. R.

    2011-06-01

    The analysis of continuous systems with piecewise-linear constraints in their domains have previously been limited to either numerical approaches, or analytical methods that are constrained in the parameter space, boundary conditions, or order of the system. The present analysis develops a robust method for studying continuous systems with arbitrary boundary conditions and discrete piecewise-linear constraints. A superposition method is used to generate homogeneous boundary conditions, and modal analysis is used to find the displacement of the system in each state of the piecewise-linear constraint. In order to develop a mapping across each slope discontinuity in the piecewise-linear force-deflection profile, a variational calculus approach is taken that minimizes the L 2 energy norm between the previous and current states. An approach for calculating the finite-time Lyapunov exponents is presented in order to determine chaotic regimes. To illustrate this method, two examples are presented: a pinned-pinned beam with a deadband constraint, and a leaf spring coupled with a connector pin immersed in a viscous fluid. The pinned-pinned beam example illustrates the method for a non-operator based analysis. Results are used to show that the present method does not necessitate the need of a large number of basis functions to adequately map the displacement and velocity of the system across states. In the second example, the leaf spring is modeled as a clamped-free beam. The interaction between the beam and the connector pin is modeled with a preload and a penalty stiffness. Several experiments are conducted in order to validate aspects of the leaf spring model. From the results of the convergence and parameter studies, a high correlation between the finite-time Lyapunov exponents and the contact time per period of the excitation is observed. The parameter studies also indicate that when the system's parameters are changed in order to reduce the magnitude of the impact

  17. Hybrid Upwind Discretization for the Implicit Simulation of Three-Phase Coupled Flow and Transport with Gravity

    NASA Astrophysics Data System (ADS)

    Hamon, F. P.; Mallison, B.; Tchelepi, H.

    2015-12-01

    The systems of algebraic equations arising from implicit (backward-Euler) finite-volume discretization of the conservation laws governing multiphase flow in porous media are quite challenging for nonlinear solvers. In the presence of counter-current flow due to buoyancy, the coupling between flow (pressure) and transport (saturations) is often the cause of nonlinear problems when single-point Phase-Potential Upwinding (PPU) is used. To overcome such convergence problems in practice, the time step is reduced and Newton's method is restarted from the solution at the previous converged time step. Here, we generalize the work of Lee, Efendiev and Tchelepi [Advances in Water Resources, 2015] to propose an Implicit Hybrid Upwinding (IHU) scheme for coupled flow and transport. In the pure transport problem, we show that the numerical flux obtained with IHU is differentiable, monotone and consistent for two and three-phase flow. For coupled flow and transport, we prove saturation physical bounds as well as the existence of a solution to our scheme. Challenging two- and three-phase heterogeneous multi-dimensional numerical tests confirm that the new scheme is non-oscillatory and convergent, and illustrate the superior convergence rate of our IHU-based Newton solver for large time steps.

  18. Lattice Boltzmann Method for Liquid-Gas-Particle Systems with Compact Discretization

    NASA Astrophysics Data System (ADS)

    Lee, Taehun; Farokhirad, Samaneh

    2015-11-01

    We have developed a liquid-gas-particle (LGP) lattice Boltzmann method (LBM) that utilizes only the nearest neighbor lattice sites for the computation of intermolecular forcing terms. Previous LGP-LBM requires larger number of lattice sites to model the interaction of fluid interfaces with immersed solid particles. This makes the treatment of contact line on a particle cumbersome when the partially wetting particle interacts with liquid-gas interface. The new model is capable of suppressing spurious currents at equilibrium. Many existing multi-component solvers suffer from spurious currents and the inability to employ components with sufficiently large density differences due to stability issues. Due to their finite size and wetting properties, particles deform an interface locally, which can lead to capillary interactions that dramatically alter the behavior of the system, relative to the particle-free case. We will present the liquid-gas-particle algorithm and its validations, which include two-particles on a flat liquid-gas interface approaching each other due to capillary effects, and a particle-laden drop impact with various impaction velocities.

  19. Exponential characteristic spatial quadrature for discrete ordinates neutral particle transport in two-dimensional cartesian coordinates. Doctoral thesis

    SciTech Connect

    Minor, B.M.

    1993-09-01

    The exponential characteristic spatial quadrature for discrete ordinates neutral particle transport with rectangular cells is developed. Numerical problems arising in the derivation required the development of exponential moment functions. These functions are used to remove indeterminant forms which can cause catastrophic cancellations. The EC method is positive and nonlinear. It conserves particles and satisfies first moment balance. Comparisons of the EC method's performance to other methods in optically thin and thick spatial cells were performed. For optically thin cells, the EC method was shown to converge to the correct answer, with third order truncation error in the thin cell limit. In deep penetration problems, the EC method attained its highest computational efficiencies compared to the other methods. For all the deep penetration problems examined, the number of spatial cells required by the EC method to attain a desired accuracy was less than the other methods.... Mathematics functions, Nuclear radiation, Nuclear engineering, Radiation attenuation, Radiation shielding, Transport theory, Radiation transport.

  20. Viscous flow simulation in a stenosis model using discrete particle dynamics: a comparison between DPD and CFD.

    PubMed

    Feng, Rui; Xenos, Michalis; Girdhar, Gaurav; Kang, Wei; Davenport, James W; Deng, Yuefan; Bluestein, Danny

    2012-01-01

    Flow and stresses induced by blood flow acting on the blood cellular constituents can be represented to a certain extent by a continuum mechanics approach down to the order of the μm level. However, the molecular effects of, e.g., adhesion/aggregation bonds of blood clotting can be on the order of nm. The coupling of the disparate length and timescales between such molecular levels and macroscopic transport represents a major computational challenge. To address this challenge, a multiscale numerical approach based on discrete particle dynamics (DPD) methodology derived from molecular dynamics (MD) principles is proposed. The feasibility of the approach was firstly tested for its ability to simulate viscous flow conditions. Simulations were conducted in low Reynolds numbers flows (Re = 25-33) through constricted tubes representing blood vessels with various degrees of stenosis. Multiple discrete particles interacting with each other were simulated, with 1.24-1.36 million particles representing the flow domain and 0.4 million particles representing the vessel wall. The computation was carried out on the massive parallel supercomputer NY BlueGene/L employing NAMD-a parallel MD package for high performance computing (HPC). Typical recirculation zones were formed distal to the stenoses. The velocity profiles and recirculation zones were in excellent agreement with computational fluid dynamics (CFD) 3D Navier-Stokes viscous fluid flow simulations and with classic numerical and experimental results by YC Fung in constricted tubes. This feasibility analysis demonstrates the potential of a methodology that widely departs from a continuum approach to simulate multiscale phenomena such as flow induced blood clotting. PMID:21369918

  1. Sub-pixel flood inundation mapping from multispectral remotely sensed images based on discrete particle swarm optimization

    NASA Astrophysics Data System (ADS)

    Li, Linyi; Chen, Yun; Yu, Xin; Liu, Rui; Huang, Chang

    2015-03-01

    The study of flood inundation is significant to human life and social economy. Remote sensing technology has provided an effective way to study the spatial and temporal characteristics of inundation. Remotely sensed images with high temporal resolutions are widely used in mapping inundation. However, mixed pixels do exist due to their relatively low spatial resolutions. One of the most popular approaches to resolve this issue is sub-pixel mapping. In this paper, a novel discrete particle swarm optimization (DPSO) based sub-pixel flood inundation mapping (DPSO-SFIM) method is proposed to achieve an improved accuracy in mapping inundation at a sub-pixel scale. The evaluation criterion for sub-pixel inundation mapping is formulated. The DPSO-SFIM algorithm is developed, including particle discrete encoding, fitness function designing and swarm search strategy. The accuracy of DPSO-SFIM in mapping inundation at a sub-pixel scale was evaluated using Landsat ETM + images from study areas in Australia and China. The results show that DPSO-SFIM consistently outperformed the four traditional SFIM methods in these study areas. A sensitivity analysis of DPSO-SFIM was also carried out to evaluate its performances. It is hoped that the results of this study will enhance the application of medium-low spatial resolution images in inundation detection and mapping, and thereby support the ecological and environmental studies of river basins.

  2. Particle-laden interfaces: direct calculation of interfacial stress from a discrete particle simulation of a pendant drop

    NASA Astrophysics Data System (ADS)

    Gu, Chuan; Botto, Lorenzo

    2015-11-01

    The adsorption of solid particles to fluid interfaces is exploited in several multiphase flow technologies, and plays a fundamental role in the dynamics of particle-laden drops. A fundamental question is how the particles modify the effective mechanical properties of the interface. Using a fast Eulerian-Lagrangian model for interfacial colloids, we have simulated a pendant drop whose surface is covered with spherical particles having short-range repulsion. The interface curvature induces non-uniform and anisotropic interfacial stresses, which we calculate by an interfacial extension of the Irving-Kirkwood formula. The isotropic component of this stress, related to the effective surface tension, is in good agreement with that calculated by fitting the drop shape to the Young-Laplace equation. The anisotropic component, related to the interfacial shear elasticity, is highly non uniform: small at the drop apex, significant along the drop sides. The reduction in surface tension can be substantial even below maximum surface packing. We illustrate this point by simulating phase-coarsening of a two-phase mixture in which the presence of interfacial particles ``freezes'' the coarsening process, for surface coverage well below maximum packing This work is supported by the EU through the Marie Curie Grant FLOWMAT (618335).

  3. Heat generation in an elastic binder system with embedded discrete energetic particles due to high-frequency, periodic mechanical excitation

    NASA Astrophysics Data System (ADS)

    Mares, J. O.; Miller, J. K.; Gunduz, I. E.; Rhoads, J. F.; Son, S. F.

    2014-11-01

    High-frequency mechanical excitation can induce heating within energetic materials and may lead to advances in explosives detection and defeat. In order to examine the nature of this mechanically induced heating, samples of an elastic binder (Sylgard 184) were embedded with inert and energetic particles placed in a fixed spatial pattern and were subsequently excited with an ultrasonic transducer at discrete frequencies from 100 kHz to 20 MHz. The temperature and velocity responses of the sample surfaces suggest that heating due to frictional effects occurred near the particles at excitation frequencies near the transducer resonance of 215 kHz. An analytical solution involving a heat point source was used to estimate heating rates and temperatures at the particle locations in this frequency region. Heating located near the sample surface at frequencies near and above 1 MHz was attributed to viscoelastic effects related to the surface motion of the samples. At elevated excitation parameters near the transducer resonance frequency, embedded particles of ammonium perchlorate and cyclotetramethylene-tetranitramine were driven to chemical decomposition.

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

    NASA Astrophysics Data System (ADS)

    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.

  5. Hybrid Finite-Discrete Element Simulation of the EDZ Formation and Mechanical Sealing Process Around a Microtunnel in Opalinus Clay

    NASA Astrophysics Data System (ADS)

    Lisjak, Andrea; Tatone, Bryan S. A.; Mahabadi, Omid K.; Grasselli, Giovanni; Marschall, Paul; Lanyon, George W.; Vaissière, Rémi de la; Shao, Hua; Leung, Helen; Nussbaum, Christophe

    2016-05-01

    The analysis and prediction of the rock mass disturbance around underground excavations are critical components of the performance and safety assessment of deep geological repositories for nuclear waste. In the short term, an excavation damaged zone (EDZ) tends to develop due to the redistribution of stresses around the underground openings. The EDZ is associated with an increase in hydraulic conductivity of several orders of magnitude. In argillaceous rocks, sealing mechanisms ultimately lead to a partial reduction in the effective hydraulic conductivity of the EDZ with time. The goal of this study is to strengthen the understanding of the phenomena involved in the EDZ formation and sealing in Opalinus Clay, an indurated claystone currently being assessed as a host rock for a geological repository in Switzerland. To achieve this goal, hybrid finite-discrete element method (FDEM) simulations are performed. With its explicit consideration of fracturing processes, FDEM modeling is applied to the HG-A experiment, an in situ test carried out at the Mont Terri underground rock laboratory to investigate the hydro-mechanical response of a backfilled and sealed microtunnel. A quantitative simulation of the EDZ formation process around the microtunnel is first carried out, and the numerical results are compared with field observations. Then, the re-compression of the EDZ under the effect of a purely mechanical loading, capturing the increase of swelling pressure from the backfill onto the rock, is considered. The simulation results highlight distinctive rock failure kinematics due to the bedded structure of the rock mass. Also, fracture termination is simulated at the intersection with a pre-existing discontinuity, representing a fault plane oblique to the bedding orientation. Simulation of the EDZ re-compression indicates an overall reduction of the total fracture area as a function of the applied pressure, with locations of ineffective sealing associated with self

  6. One-step synthesis of hybrid silver particles for front contact paste for crystalline silicon solar cells

    NASA Astrophysics Data System (ADS)

    Che, Quande; Yang, Hongxing; Lu, Lin; Wang, Yuanhao; Wang, Hai

    2013-05-01

    This paper reports a one-step synthesis of hybrid rod-like and spherical silver particles and its application in the silver front contact paste for crystalline silicon solar cells. The hybrid silver particles were synthesized by reducing silver nitrate in ethylene glycol. X-ray diffraction indicated that the hybrid silver particles were well crystallized with no crystallographic impurities. Scanning electron microscopy showed that the rod-like particles in the hybrid particles were 0.2 µm to 0.5 µm in width and 1 µm to 4 µm in length, and that the average size of the spherical particles was 0.5 µm. The fabricated crystalline silicon solar cell based on the as-prepared hybrid silver particles showed good photovoltaic performance.

  7. Hybrid sensor for metal grade measurement of a falling stream of solid waste particles.

    PubMed

    Abdur Rahman, Md; Bakker, M C M

    2012-07-01

    A hybrid sensor system for accurate detection of the metal grade of a stream of falling solid waste particles is investigated and experimentally verified. The system holds an infrared and an electromagnetic unit around a central tube and counts all the particles and only the metal particles, respectively. The count ratio together with the measured average particle mass ratio (k) of non-metal and metal particles is sufficient for calculation of grade. The performance of the system is accurately verified using synthetic mixtures of sand and metal particles. Towards an application a case study is performed using municipal solid waste incineration bottom ash in size fractions 1-6mm, which presents a major challenge for nonferrous metal recovery. The particle count ratio was inherently accurate for particle feed rates up to 13 per second. The average value and spread of k for bottom ash was determined as 0.49 ± 0.07 and used to calculate grade within 2.4% from the manually analysed grade. At higher feed rates the sensors start missing particles which fall simultaneously through the central tube, but the hybrid system still counted highly repeatable. This allowed for implementation of a count correction ratio to eliminate the stationary error. In combination with averaging in measurement intervals for suppression of stochastic variations the hybrid system regained its accuracy for particle feed rates up to 143 per second. This performance and its special design, intended to render it insensitive to external interference and noise when applied in an eddy current separator, make the hybrid sensor suitable for applications such as quality control and sensor controlled separation. PMID:22498575

  8. Global Hybrid Simulations of Energetic Particle-driven Modes in Toroidal Plasmas

    SciTech Connect

    G.Y. Fu; J. Breslau; E. Fredrickson; W. Park; H.R. Strauss

    2004-12-14

    Global hybrid simulations of energetic particle-driven MHD modes have been carried out for tokamaks and spherical tokamaks using the hybrid code M3D. The numerical results for the National Spherical Tokamak Experiments (NSTX) show that Toroidal Alfven Eigenmodes are excited by beam ions with their frequencies consistent with the experimental observations. Nonlinear simulations indicate that the n=2 mode frequency chirps down as the mode moves out radially. For ITER, it is shown that the alpha-particle effects are strongly stabilizing for internal kink mode when central safety factor q(0) is sufficiently close to unity. However, the elongation of ITER plasma shape reduces the stabilization significantly.

  9. DDSCAT: The discrete dipole approximation for scattering and absorption of light by irregular particles

    NASA Astrophysics Data System (ADS)

    Draine, Bruce T.; Flatau, Piotr J.

    2000-08-01

    DDSCAT is a freely available software package which applies the "discrete dipole approximation" (DDA) to calculate scattering and absorption of electromagnetic waves by targets with arbitrary geometries and complex refractive index. The DDA approximates the target by an array of polarizable points. DDSCAT.5a requires that these polarizable points be located on a cubic lattice. DDSCAT allows accurate calculations of electromagnetic scattering from targets with "size parameters" 2 pi a/lambda < 15 provided the refractive index m is not large compared to unity (|m-1| < 1). The DDSCAT package is written in Fortran and is highly portable. The program supports calculations for a variety of target geometries (e.g., ellipsoids, regular tetrahedra, rectangular solids, finite cylinders, hexagonal prisms, etc.). Target materials may be both inhomogeneous and anisotropic. It is straightforward for the user to import arbitrary target geometries into the code, and relatively straightforward to add new target generation capability to the package. DDSCAT automatically calculates total cross sections for absorption and scattering and selected elements of the Mueller scattering intensity matrix for specified orientation of the target relative to the incident wave, and for specified scattering directions. This User Guide explains how to use DDSCAT to carry out EM scattering calculations. CPU and memory requirements are described.

  10. Two-dimensional quasineutral description of particles and fields above discrete auroral arcs

    NASA Technical Reports Server (NTRS)

    Newman, A. L.; Chiu, Y. T.; Cornwall, J. M.

    1985-01-01

    Stationary hot and cool particle distributions in the auroral magnetosphere are modelled using adiabatic assumptions of particle motion in the presence of broad-scale electrostatic potential structure. The study has identified geometrical restrictions on the type of broadscale potential structure which can be supported by a multispecies plasma having specified sources and energies. Without energization of cool thermal ionospheric electrons, a substantial parallel potential drop cannot be supported down to altitudes of 2000 km or less. Observed upward-directed field-aligned currents must be closed by return currents along field lines which support little net potential drop. In such regions the plasma density appears significantly enhanced. Model details agree well with recent broad-scale implications of satellite observations.

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

    PubMed

    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 (298K), 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=0-10min), a slower intermediate stage II (up to t=120min) 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. PMID:27090704

  12. Hybrid Particle-Continuum Methods for Nonequilibrium Gas and Plasma Flows

    SciTech Connect

    Boyd, Iain D.

    2011-05-20

    Two different hybrid particle-continuum methods are described for simulation of nonequilibrium gas and plasma dynamics. The first technique, used for nonequilibrium hypersonic gas flows, uses either a continuum description or a particle method throughout a flow domain based on local conditions. This technique is successful in reproducing the results of full particle simulations at a small fraction of the cost. The second method uses a continuum model of the electrons combined with a particle description of the ions and atoms for simulating plasma jets. The physical accuracy of the method is assessed through comparisons with plasma plume measurements obtained in space. These examples illustrate that the complex physical phenomena associated with nonequilibrium conditions can be simulated with physical accuracy and numerical efficiency using such hybrid approaches.

  13. An alpha particle diagnostic based on measurements of lower hybrid wave fluctuations

    SciTech Connect

    Wong, K.L.

    1989-07-01

    It is shown that the one-dimensional alpha particle velocity distribution function can be determined from the fluctuation- dissipation theorem based on measurements of lower hybrid wave fluctuations in an equilibrium plasma. This method uses collective Thomson scattering data with large signal-to-noise ratio, but it is applicable only when the alpha particles have an isotropic velocity distribution. 16 refs., 1 fig.

  14. Preparation of polyethersulfone-organophilic montmorillonite hybrid particles for the removal of bisphenol A.

    PubMed

    Cao, Fuming; Bai, Pengli; Li, Haocheng; Ma, Yunli; Deng, Xiaopei; Zhao, Changsheng

    2009-03-15

    Polyethersulfone (PES)-organophilic montmorillonite (OMMT) hybrid particles, with various proportions of OMMT, were prepared by using a liquid-liquid phase separation technique, and then were used for the removal of bisphenol A (BPA) from aqueous solution. The adsorbed BPA amounts increased significantly when the OMMT were embedded into the particles. The structure of the particle was characterized by using scanning electron microscopy (SEM); and these particles hardly release small molecules below 250 degrees C which was testified by using thermogravimetric analysis (TGA). The experimental data of BPA adsorption were adequately fitted with Langmuir equations. Three simplified kinetics model including the pseudo-first-order (Lagergren equation), the pseudo-second-order, and the intraparticle diffusion model were used to describe the adsorption process. Kinetic studies showed that the adsorbed BPA amount reached an equilibrium value after 300 min, and the experimental data could be expressed by the intraparticular mass transfer diffusion model. Furthermore, the adsorbed BPA could be effectively removed by ethanol, which indicated that the hybrid particles could be reused. These results showed that the PES-OMMT hybrid particles have the potential to be used in the environmental application. PMID:18597933

  15. Particle method for upscaling transport with retention and in-growth in three-dimensional discrete fracture networks

    NASA Astrophysics Data System (ADS)

    Cvetkovic, V.; Frampton, A.; Painter, S.; Selroos, J.

    2008-12-01

    An important challenge in subsurface hydrology is predictive modeling of tracer transport in sparsely fractured rock. A particular issue relevant for applications is how to accurately account for retention processes that are due to exchange (diffusion-sorption) of tracers between mobile fluid in fractures and immobile fluid in the rock matrix. Typically, tracers are subject to decay processes which may involve chains and in-growth (e.g., for radionuclides and some classes of hydrocarbons). Recently, a comprehensive particle-based methodology for upscaling transport with emphasis on tracer retention has been presented and applied to stochastic 2D discrete fracture networks (Frampton and Cvetkovic 2007, WRR, 43, W10429). Furthermore, a time domain random walk method has also recently been presented that effectively accounts for different exchange mechanisms and in-growth (Painter et al. 2008, WRR, 44, W01406). Now we present further advances in coupling these novel methodologies for solving radionuclide transport, and apply them to realistic 3D fracture networks, based on comprehensive data sets obtained from site characterization of the Laxemar area in south-east Sweden. Site measurements have revealed at least five fracture sets based on statistically significant orientation data, exhibiting power-law behaviour for fracture size and inferred transmissivity distributions. A few equally probable DFN realizations are generated based on these interpretations of the field data, in which advective fluid flow is solved using boundary conditions that mimic natural conditions. Thereafter, many particles are injected and tracked through the system, providing first- passage distributions of particle residence time and of the transport resistance parameter (quantifying the hydrodynamic control of retention). These distributions are then used as a basis for implementing the particle time-domain random walk model for radionuclide transport with retention and in-growth. Also, an

  16. Surface mode hybridization in the optical response of core-shell particles

    NASA Astrophysics Data System (ADS)

    Thiessen, E.; Heinisch, R. L.; Bronold, F. X.; Fehske, H.

    2016-03-01

    We present an exact rewriting of the Mie coefficients describing the scattering of light by a spherical core-shell particle which enables their interpretation in terms of a hybridization of the two surface modes arising, respectively, at the core-shell and the shell-medium interface. For this particular case, we thus obtain from the Mie theory—analytically for all multipole orders and hence for arbitrarily sized particles—the hybridization scenario, which so far has been employed primarily for small particles in the electrostatic approximation. To demonstrate the strength of the rewriting approach, we also extract the hybridization scenario for a stratified sphere directly from the expansion coefficients for the electromagnetic fields.

  17. Hybrid sensor for metal grade measurement of a falling stream of solid waste particles

    SciTech Connect

    Abdur Rahman, Md. Bakker, M.C.M.

    2012-07-15

    Highlights: Black-Right-Pointing-Pointer A new sensor system is developed for metal grade measurement of falling bottom ash particles. Black-Right-Pointing-Pointer The system is hybrid, consisting of an optical and an electromagnetic sensor. Black-Right-Pointing-Pointer Grade of ECS concentrated bottom ash in 1-6 mm sieve size accurately measured up to 143 p/s feed rate. Black-Right-Pointing-Pointer Accuracy reached was 2.4% with respect to manual analysis. Black-Right-Pointing-Pointer Measures for elimination of both stationary and stochastic errors are discussed. - Abstract: A hybrid sensor system for accurate detection of the metal grade of a stream of falling solid waste particles is investigated and experimentally verified. The system holds an infrared and an electromagnetic unit around a central tube and counts all the particles and only the metal particles, respectively. The count ratio together with the measured average particle mass ratio (k) of non-metal and metal particles is sufficient for calculation of grade. The performance of the system is accurately verified using synthetic mixtures of sand and metal particles. Towards an application a case study is performed using municipal solid waste incineration bottom ash in size fractions 1-6 mm, which presents a major challenge for nonferrous metal recovery. The particle count ratio was inherently accurate for particle feed rates up to 13 per second. The average value and spread of k for bottom ash was determined as 0.49 {+-} 0.07 and used to calculate grade within 2.4% from the manually analysed grade. At higher feed rates the sensors start missing particles which fall simultaneously through the central tube, but the hybrid system still counted highly repeatable. This allowed for implementation of a count correction ratio to eliminate the stationary error. In combination with averaging in measurement intervals for suppression of stochastic variations the hybrid system regained its accuracy for particle feed

  18. Bioactive Hybrid Particles from Poly(D,L-lactide-co-glycolide) Nanoparticle Stabilized Lipid Droplets.

    PubMed

    Joyce, Paul; Whitby, Catherine P; Prestidge, Clive A

    2015-08-12

    Biodegradable and bioactive hybrid particles composed of poly(D,L-lactide-co-glycolide) (PLGA) nanoparticles and medium-chain triglycerides were prepared by spray drying lipid-in-water emulsions stabilized by PLGA nanoparticles, to form PLGA-lipid hybrid (PLH) microparticles approximately 5 μm in mean diameter. The nanoparticle stabilizer was varied and mannitol was also incorporated during the preparation to investigate the effect of stabilizer charge and cryoprotectant content on the particle microstructure. An in vitro lipolysis model was used to demonstrate the particles' bioactivity by manipulating the digestion kinetics of encapsulated lipid by pancreatic lipase in simulated gastrointestinal fluid. Lipid digestion kinetics were enhanced in PLH and PLGA-lipid-mannitol hybrid (PLMH) microparticles for both stabilizers, compared to a coarse emulsion, in biorelevant media. An optimal digestion rate was observed for the negatively charged PLMH system, evidenced by a 2-fold increase in the pseudo-first-order rate constant compared to a coarse emulsion. Improved microparticle redispersion, probed by dual dye confocal fluorescence microscopy, increased the available surface area of lipid for lipase adsorption, enhancing digestion kinetics. Thereby, lipase action was controlled in hybrid microparticles by altering the surface charge and carbohydrate content. Our results demonstrate that bioactive microparticles composed of versatile and biodegradable polymeric particles and oil droplets have great potential for use in smart food and nutrient delivery, as well as safer and more efficacious oral delivery of drugs and drug combinations. PMID:26181279

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

    PubMed

    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. PMID:22486527

  20. Dendrimer-like hybrid particles with tunable hierarchical pores

    NASA Astrophysics Data System (ADS)

    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

  1. A Hybrid Particle Swarm with Differential Evolution Operator Approach (DEPSO) for Linear Array Synthesis

    NASA Astrophysics Data System (ADS)

    Sarkar, Soham; Das, Swagatam

    In recent years particle swarm optimization emerges as one of the most efficient global optimization tools. In this paper, a hybrid particle swarm with differential evolution operator, termed DEPSO, is applied for the synthesis of linear array geometry. Here, the minimum side lobe level and null control, both are obtained by optimizing the spacing between the array elements by this technique. Moreover, a statistical comparison is also provided to establish its performance against the results obtained by Genetic Algorithm (GA), classical Particle Swarm Optimization (PSO), Tabu Search Algorithm (TSA), Differential Evolution (DE) and Memetic Algorithm (MA).

  2. Hybrid metal organic scintillator materials system and particle detector

    DOEpatents

    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.

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

    SciTech Connect

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

    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. Development of multicore hybrid particles for drug delivery through the precipitation of CO2 saturated emulsions.

    PubMed

    Gonçalves, V S S; Rodríguez-Rojo, S; Matias, A A; Nunes, A V M; Nogueira, I D; Nunes, D; Fortunato, E; de Matos, A P Alves; Cocero, M J; Duarte, C M M

    2015-01-15

    Hybrid lipid-polymer particles are gaining increasing interest to be applied as drug delivery systems due to their greater stability in biological fluids and enhanced cellular uptake of drugs. However, a major drawback is the fact that these particles are usually produced through techniques that use organic solvents. This work studies the possibility of producing for the first time hybrid particles composed by lipid multicores enveloped in a polymeric layer through Particles from Gas Saturated Solutions (PGSS(®)), without using organic solvents. An oil-in-water emulsion, composed by Gelucire 43/01™ (GEL) as the discontinuous phase and by an aqueous polyethylene glycol 4000 (PEG) solution as the continuous phase, was successfully precipitated by PGSS(®). Operating conditions that ensured the stability of the CO2 saturated emulsion were previously evaluated. The resulting PEG-GEL particles present a spherical-like morphology constituted by several lipid cores encapsulated into a polymeric shell. The applicability of these structured particles to be used as drug delivery system (DDS) was studied by using ketoprofen, a nonsteroidal anti-inflammatory drug (NSAID), as model drug. The particles provided an initial burst release of the drug due to the progressive dissolution of the external layer of PEG, followed by a controlled release of the NSAID from the GEL cores. PMID:25445975

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

    NASA Astrophysics Data System (ADS)

    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.

  7. Solving constrained optimization problems with hybrid particle swarm optimization

    NASA Astrophysics Data System (ADS)

    Zahara, Erwie; Hu, Chia-Hsin

    2008-11-01

    Constrained optimization problems (COPs) are very important in that they frequently appear in the real world. A COP, in which both the function and constraints may be nonlinear, consists of the optimization of a function subject to constraints. Constraint handling is one of the major concerns when solving COPs with particle swarm optimization (PSO) combined with the Nelder-Mead simplex search method (NM-PSO). This article proposes embedded constraint handling methods, which include the gradient repair method and constraint fitness priority-based ranking method, as a special operator in NM-PSO for dealing with constraints. Experiments using 13 benchmark problems are explained and the NM-PSO results are compared with the best known solutions reported in the literature. Comparison with three different meta-heuristics demonstrates that NM-PSO with the embedded constraint operator is extremely effective and efficient at locating optimal solutions.

  8. Exponential-characteristic spatial quadrature for discrete-ordinates neutral-particle transport in slab geometry. Master's thesis

    SciTech Connect

    Sjoden, G.E.

    1992-03-01

    A new discrete ordinates spatial quadrature scheme is presented for solving neutral particle transport problems. This new scheme, called the exponential characteristic method, is developed here in slab geometry with isotropic scattering. This method uses a characteristic integration of the Boltzmann transport equation with an exponential function as the assumed from of the source distribution, continuous across each spatial cell. The exponential source function is constructed to globally conserve zeroth and first spatial source moments and is non-negative. Characteristic integration ensures non-negative fluxes and flux moments. Numerical testing indicates that convergence of the exponential characteristic scheme is fourth order in the limit of vanishingly thin cells. Highly accurate solutions to optically thick problems can result using this scheme with very coarse meshes. Comparing accuracy and computational cost with existing spatial quadrature schemes (diamond difference, linear discontinuous, linear characteristic, linear adaptive, etc.), the exponential characteristic scheme typically performed best. This scheme is expected to be expandable to two dimensions in a straight forward manner. Due to the high accuracies achievable using coarse meshes, this scheme may allow researchers to obtain solutions to transport problems once thought too large or too difficult to be adequately solved conventional computer systems.

  9. Discrete-Element bonded-particle Sea Ice model DESIgn, version 1.3a - model description and implementation

    NASA Astrophysics Data System (ADS)

    Herman, Agnieszka

    2016-04-01

    This paper presents theoretical foundations, numerical implementation and examples of application of the two-dimensional Discrete-Element bonded-particle Sea Ice model - DESIgn. In the model, sea ice is represented as an assemblage of objects of two types: disk-shaped "grains" and semi-elastic bonds connecting them. Grains move on the sea surface under the influence of forces from the atmosphere and the ocean, as well as interactions with surrounding grains through direct contact (Hertzian contact mechanics) and/or through bonds. The model has an experimental option of taking into account quasi-three-dimensional effects related to the space- and time-varying curvature of the sea surface, thus enabling simulation of ice breaking due to stresses resulting from bending moments associated with surface waves. Examples of the model's application to simple sea ice deformation and breaking problems are presented, with an analysis of the influence of the basic model parameters ("microscopic" properties of grains and bonds) on the large-scale response of the modeled material. The model is written as a toolbox suitable for usage with the open-source numerical library LIGGGHTS. The code, together with full technical documentation and example input files, is freely available with this paper and on the Internet.

  10. Advanced 3D electromagnetic and particle-in-cell modeling on structured/unstructured hybrid grids

    SciTech Connect

    Seidel, D.B.; Pasik, M.F.; Kiefer, M.L.; Riley, D.J.; Turner, C.D.

    1998-01-01

    New techniques have been recently developed that allow unstructured, free meshes to be embedded into standard 3-dimensional, rectilinear, finite-difference time-domain grids. The resulting hybrid-grid modeling capability allows the higher resolution and fidelity of modeling afforded by free meshes to be combined with the simplicity and efficiency of rectilinear techniques. Integration of these new methods into the full-featured, general-purpose QUICKSILVER electromagnetic, Particle-In-Cell (PIC) code provides new modeling capability for a wide variety of electromagnetic and plasma physics problems. To completely exploit the integration of this technology into QUICKSILVER for applications requiring the self-consistent treatment of charged particles, this project has extended existing PIC methods for operation on these hybrid unstructured/rectilinear meshes. Several technical issues had to be addressed in order to accomplish this goal, including the location of particles on the unstructured mesh, adequate conservation of charge, and the proper handling of particles in the transition region between structured and unstructured portions of the hybrid grid.

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

    NASA Astrophysics Data System (ADS)

    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.

  12. Enhancement of the Wear Particle Monitoring Capability of Oil Debris Sensors Using a Maximal Overlap Discrete Wavelet Transform with Optimal Decomposition Depth

    PubMed Central

    Li, Chuan; Peng, Juan; Liang, Ming

    2014-01-01

    Oil debris sensors are effective tools to monitor wear particles in lubricants. For in situ applications, surrounding noise and vibration interferences often distort the oil debris signature of the sensor. Hence extracting oil debris signatures from sensor signals is a challenging task for wear particle monitoring. In this paper we employ the maximal overlap discrete wavelet transform (MODWT) with optimal decomposition depth to enhance the wear particle monitoring capability. The sensor signal is decomposed by the MODWT into different depths for detecting the wear particle existence. To extract the authentic particle signature with minimal distortion, the root mean square deviation of kurtosis value of the segmented signal residue is adopted as a criterion to obtain the optimal decomposition depth for the MODWT. The proposed approach is evaluated using both simulated and experimental wear particles. The results show that the present method can improve the oil debris monitoring capability without structural upgrade requirements. PMID:24686730

  13. Shock Injection Problem and Beyond in Hybrid/Particle-in-Cell Simulations

    NASA Astrophysics Data System (ADS)

    Hoshino, Masahiro

    Collisionless shocks are a rich repository of nonlinear plasma instabilities and the self-regulated system of plasma waves, and provide not only quick thermalization but also nonthermal particle acceleration. One of the most widely accepted models of the nonthermal particle acceleration is the diffusive shock acceleration (DSA), which was established in the late seventies. In order that DSA operates effectively, however, the pre-acceleration of particles - the acceleration from the thermal into the suprathermal energies - is needed, namely, the so-called "shock injection problem" remains elusive. The transition from the thermal energies, the suprathermal energies, and the high energy nothermal particles are not well understood yet. With the recent advance of supper computer technology, kinetic plasma modeling by hybrid/particle-in-cell simulations are widely used for understanding the shock dynamics and the particle acceleration mechanisms etc. The modern computer capability is not enough to demonstrate DAS or other strong particle acceleration processes yet, but a great progress is now obtained. In this review talk, we discuss several important progresses: the pre-acceleration at the shock front as the particle injection problem, the turbulent wave generation in the shock transition/upstream as the particle scatterers of DAS, and the magnetic field amplification and so on. We will also give a perspective of the shock acceleration in the future simulation study.

  14. A Fast Induction Motor Speed Estimation based on Hybrid Particle Swarm Optimization (HPSO)

    NASA Astrophysics Data System (ADS)

    Aryza, Solly; Abdallah, Ahmed N.; Khalidin, Zulkeflee bin; Lubis, Zulkarnain; Jie, Ma

    Intelligent control and estimation of power electronic systems by fuzzy logic and neural network techniques with fast torque and flux show tremendous promise in future. This paper proposed the application of Hybrid Particle Swarm Optimization (HPSO) for losses and operating cost minimization control in the induction motor drives. The main advantages of the proposed technique are; its simple structure and its straightforward maximization of induction motor efficiency and its operating cost for a given load torque. As will be demonstrated, Hybrid Particle Swarm Optimization (HPSO) is so efficient in finding the optimum operating machine's flux level. The results demonstrate the good quality and robustness in the system dynamic response and reduction in the steady-state and transient motor ripple torque.

  15. MTX/LDHs hybrids synthesized from reverse microemulsions: particle control and bioassay study.

    PubMed

    Liu, Zhen-Lei; Tian, De-Ying; Li, Shu-Ping; Li, Xiao-Dong; Lu, Tian-Hong

    2014-10-01

    Reverse microemulsions have been used to control the growth of methotrexatum intercalated layered double hydroxides (MTX/LDHs) hybrids, and the influence of reaction temperature, water content (noted as ω) and MTX content (noted as R) on the properties of MTX/LDHs was systematically investigated. The synthesized hybrids were then characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM) and atomic force microscopy (AFM), etc. XRD and FTIR investigations manifest the successful intercalation of MTX anions into the interlayer of LDHs. The process of particle control has been explored emphatically, and it was found that temperature, water content, and addition of solutes can determine the structural evolution as well as the size of the "water pools" in the reverse microemulsions, while ω plays a critical role in the particle growth. Then in vitro release tests of all hybrids in pH 7.4 phosphate buffered saline (PBS) were explored, and the parabolic diffusion model simulate the release progress best, showing that the release process belongs to multi phase diffusion process via ion exchange. At last, the anticancer efficacy of all MTX/LDHs hybrids was also estimated by MTT assay with the human lung cancer (A549). It is found for the first time that the drug efficacy is closely associated with dispersion coefficient (noted as ϵ). PMID:25089502

  16. Particle pinch with fully noninductive lower hybrid current drive in Tore Supra.

    PubMed

    Hoang, G T; Bourdelle, C; Pégourié, B; Schunke, B; Artaud, J F; Bucalossi, J; Clairet, F; Fenzi-Bonizec, C; Garbet, X; Gil, C; Guirlet, R; Imbeaux, F; Lasalle, J; Loarer, T; Lowry, C; Travère, J M; Tsitrone, E

    2003-04-18

    Recently, plasmas exceeding 4 min have been obtained with lower hybrid current drive (LHCD) in Tore Supra. These LHCD plasmas extend for over 80 times the resistive current diffusion time with zero loop voltage. Under such unique conditions the neoclassical particle pinch driven by the toroidal electric field vanishes. Nevertheless, the density profile remains peaked for more than 4 min. For the first time, the existence of an inward particle pinch in steady-state plasma without toroidal electric field, much larger than the value predicted by the collisional neoclassical theory, is experimentally demonstrated. PMID:12732041

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

    NASA Astrophysics Data System (ADS)

    Leng, Hong-Ze; Song, Jun-Qiang

    2013-03-01

    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.

  18. Well-defined plate and hollow disk shaped particles of silica-dialkyldimethylammonium hybrids.

    PubMed

    Machida, Shingo; Yoshida, Takaaki; Hashimoto, Ryouya; Ogawa, Makoto

    2014-04-15

    Well-defined plate and hollow disk of silica-dioctadecyldimethylammonium hybrid particles were obtained by the sol-gel reaction of tetraethoxysilane in the presence of dioctadecyldimethylammonium chloride, where synthetic condition was determined based on the Stöber synthesis for micron size silica sphere. The particle size was several hundreds of nm in the radius and several tens of nm in the thickness. X-ray powder diffraction patterns indicated that the products possess layered mesostructures, which were thought to be directed by the lamellar aggregates of dioctadecyldimethylammonium. PMID:24559701

  19. Verification of electromagnetic fluid-kinetic hybrid electron model in global gyrokinetic particle simulation

    SciTech Connect

    Holod, I.; Lin, Z.

    2013-03-15

    The fluid-kinetic hybrid electron model is verified in global gyrokinetic particle simulation of linear electromagnetic drift-Alfvenic instabilities in tokamak. In particular, we have recovered the {beta}-stabilization of the ion temperature gradient mode, transition to collisionless trapped electron mode, and the onset of kinetic ballooning mode as {beta}{sub e} (ratio of electron kinetic pressure to magnetic pressure) increases.

  20. A Hybrid Navier-Stokes/Particle Method for Simulating Rarefied Flow

    NASA Astrophysics Data System (ADS)

    Duttweiler, Craig R.; Baganoff, Donald; Feiereisen, William J.

    1997-11-01

    A particle method such as the Direct Simulation Monte Carlo method (DSMC) simulates a gas flow by statistically modeling the behavior of a large number of virtual particles and is necessary for the simulation of rarefied flows for which the Navier-Stokes (NS) equations become invalid due to failure of the constituent relations upon which they are based. Unfortunately, while more versatile than NS, DSMC is also computationally much more intensive. Even on a parallel computer, simulation times can become large, and so a less computationally intensive method is desirable. Luckily, in a high-enthalpy flow, most of the particles, and hence computational intensity, are contained in a relatively small, dense region of the domain in which NS is often viable. A logical approach, then, is to hybridize NS and DSMC, allowing the former to handle regions of higher density and the latter to handle regions of greater rarefaction. A robust hybrid method has been developed and successfully applied to several problems, including a blunt body in Mach 10 flow and a lid-driven cavity. In these and other cases, the hybrid method takes less time to produce solutions whose quality is equal to or greater than that of solutions produced by DSMC alone.

  1. Effect of Thermally Softened Bronze Matrix on the Fracturing Behavior of Diamond Particles in Hybrid Sprayed Bronze/Diamond Composite

    NASA Astrophysics Data System (ADS)

    Na, Hyuntaek; Bae, Gyuyeol; Kang, Kicheol; Kim, Hyungjun; Kim, Jay-Jung; Lee, Changhee

    2010-09-01

    In our previous study (Na et al., Compos Sci Technol 69:463-468, 2009), optimized thickness of protective nickel film was proposed for smaller diamond feedstock to obtain reduced impact stress and uniform flight behavior of particles during kinetic (or cold) spraying. However, in this study, nickel-coated diamond particles were severely fractured with increasing particle size due to high kinetic energy. Hence, an innovative hybrid spraying technique (a combination of kinetic and thermal spraying) was introduced to embed relatively large diamond particles into the bronze matrix. Size distributions of the diamond particles in the composite coatings were analyzed by scanning electron microscopy, an electron probe micro analyzer, and image analysis methods. In addition, impact behaviors of diamond particles in kinetic and hybrid gas flows were simulated through finite element analysis (ABAQUS/Explicit 6.7-2). Diamond fracturing was significantly minimized by the reduced impact energy afforded by the thermally softened bronze matrix through hybrid spraying.

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

    NASA Astrophysics Data System (ADS)

    Amano, Y.; Nanbu, H.; Kameyama, Y.; Komotori, J.

    2010-06-01

    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.

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

    SciTech Connect

    Belova, E.V.; Park, W.; Fu, G.Y.; Strauss, H.R.; Sugiyama, L.E.

    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.

  4. Hierarchical Self-Assembly of Polyoxometalate-Based Hybrids Driven by Metal Coordination and Electrostatic Interactions: From Discrete Supramolecular Species to Dense Monodisperse Nanoparticles.

    PubMed

    Izzet, Guillaume; Abécassis, Benjamin; Brouri, Dalil; Piot, Madeleine; Matt, Benjamin; Serapian, Stefano Artin; Bo, Carles; Proust, Anna

    2016-04-20

    The metal-driven self-assembly processes of a covalent polyoxometalate (POM)-based hybrid bearing remote terpyridine binding sites have been investigated. In a strongly dissociating solvent, a discrete metallomacrocycle, described as a molecular triangle, is formed and characterized by 2D diffusion NMR spectroscopy (DOSY), small-angle X-ray scattering (SAXS), and molecular modeling. In a less dissociating solvent, the primary supramolecular structure, combining negatively charged POMs and cationic metal linkers, further self-assemble through intermolecular electrostatic interactions in a reversible process. The resulting hierarchical assemblies are dense monodisperse nanoparticles composed of ca. 50 POMs that were characterized by SAXS and transmission electron microscopy (TEM). This multiscale organized system directed by metal coordination and electrostatic interactions constitutes a promising step for the future design of POM self-assemblies with controllable structure-directing factors. PMID:27019075

  5. Laser induction hybrid rapid cladding of WC particles reinforced NiCrBSi composite coatings

    NASA Astrophysics Data System (ADS)

    Zhou, Shengfeng; Dai, Xiaoqin

    2010-05-01

    In order to investigate the microstructure characteristics and properties of Ni-based WC composite coatings containing a relatively large amount of WC particles by laser induction hybrid rapid cladding (LIHRC) and compare to the individual laser cladding without preheating, Ni60A + 35 wt.% WC composite coatings are deposited on A3 steel plates by LIHRC and the individual laser cladding without preheating. The composite coating produced by the individual laser cladding without preheating exhibits many cracks and pores, while the smooth composite coating without cracks and pores is obtained by LIHRC. Moreover, the cast WC particles take on the similar dissolution characteristics in Ni60A + 35 wt.% WC composite coatings by LIHRC and the individual laser cladding without preheating. Namely, the completely dissolved WC particles interact with Ni-based alloy solvent to precipitate the blocky and herringbone carbides, while the partially dissolved WC particles still preserve the primary lamellar eutectic structure. A few WC particles are split at the interface of WC and W 2C, and then interact with Ni-based alloy solvent to precipitate the lamellar carbides. Compared with the individual laser cladding without preheating, LIHRC has the relatively lower temperature gradient and the relatively higher laser scanning speed. Therefore, LIHRC can produce the crack-free composite coating with relatively higher microhardness and relatively more homogeneous distribution of WC particles and is successfully applied to strengthen the corrugated roller, showing that LIHRC process has a higher efficiency and good cladding quality.

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

    NASA Astrophysics Data System (ADS)

    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.

  7. Hybrid One-Dimensional Nanostructures: One-Pot Preparation of Nanoparticle Chains via Directed Self-Assembly of in Situ Synthesized Discrete Au Nanoparticles

    PubMed Central

    2012-01-01

    The fabrication of well-defined one-dimensional (1D) arrays is becoming a challenge for the development of the next generation of advanced nanodevices. Herein, a simple concept is proposed for the in situ synthesis and self-assembly of gold nanoparticles (AuNPs) into 1D arrays via a one-step process. The results demonstrated the formation of nanoparticle chains (NPC) with high aspect ratio based on discrete Au nanoparticles stabilized by short thiol ligands. A model was proposed to explain the self-assembly based on the investigation of several parameters such as pH, solvent, temperature, and nature of the ligand on the 1D assembly formation. Hydrogen bonding was identified as a key factor to direct the self-assembly of the hybrid organic–inorganic nanomaterials into the well-defined 1D nanostructures. This simple and cost-effective concept could potentially be extended to the fabrication of a variety of hybrid 1D nanostructures possessing unique physical properties leading to a wide range of applications including catalysis, bionanotechnology, nanoelectronics, and photonics. PMID:22432448

  8. Null Extinction of Ceria@silica Hybrid Particles: Transparent Polystyrene Composites.

    PubMed

    İncel, Anıl; Güner, Tuğrul; Parlak, Onur; Demir, Mustafa M

    2015-12-16

    Scattering of light in optical materials, particularly in composites based on transparent polymer and inorganic pigment nanoparticles, is a chronic problem. It might originate mainly from light scattering because of a refractive index mismatch between the particles and transparent polymer matrix. Thus, the intensity of light is rapidly diminished and optical transparency is reduced. Refractive index matching between the pigment core and the surrounding transparent matrix using a secondary component at the interface (shell) has recently appeared as a promising approach to alter light scattering. Here, CeO2 (ceria) nanoparticles with a diameter of 25 nm are coated with a SiO2 (silica) shell with various thicknesses in a range of 6.5-67.5 nm using the Stöber method. When the hybrid core-shell particles are dispersed into transparent polystyrene (PS), the transmission of the freestanding PS composite films increases over both the ultraviolet (UV) and visible region as the shell thickness increases particularly at 37.5 nm. The increase of transmission can be attributed to the reduction in the scattering coefficient of the hybrid particles. On the other hand, the particles in tetrahydrofuran (THF) absorb over UV and the intensity of absorption shows a systematic decrease as the shell thickness increases. Thus, the silica shell suppresses not only the scattering coefficient but also the molar absorptivity of the core ceria particles. The experimental results regarding the target shell thickness to develop low extinction (scattering + absorption) composites show a qualitative agreement with the predictions of Effective Medium Theory. PMID:26594909

  9. A cell-local finite difference discretization of the low-order quasidiffusion equations for neutral particle transport on unstructured quadrilateral meshes

    SciTech Connect

    Wieselquist, William A.; Anistratov, Dmitriy Y.; Morel, Jim E.

    2014-09-15

    We present a quasidiffusion (QD) method for solving neutral particle transport problems in Cartesian XY geometry on unstructured quadrilateral meshes, including local refinement capability. Neutral particle transport problems are central to many applications including nuclear reactor design, radiation safety, astrophysics, medical imaging, radiotherapy, nuclear fuel transport/storage, shielding design, and oil well-logging. The primary development is a new discretization of the low-order QD (LOQD) equations based on cell-local finite differences. The accuracy of the LOQD equations depends on proper calculation of special non-linear QD (Eddington) factors from a transport solution. In order to completely define the new QD method, a proper discretization of the transport problem is also presented. The transport equation is discretized by a conservative method of short characteristics with a novel linear approximation of the scattering source term and monotonic, parabolic representation of the angular flux on incoming faces. Analytic and numerical tests are used to test the accuracy and spatial convergence of the non-linear method. All tests exhibit O(h{sup 2}) convergence of the scalar flux on orthogonal, random, and multi-level meshes.

  10. Enhancement of hybrid rocket combustion performance using nano-sized energetic particles

    NASA Astrophysics Data System (ADS)

    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

  11. Delta-doped hybrid advanced detector for low energy particle detection

    NASA Technical Reports Server (NTRS)

    Cunningham, Thomas J. (Inventor); Fossum, Eric R. (Inventor); Nikzad, Shouleh (Inventor); Pain, Bedabrata (Inventor); Soli, George A. (Inventor)

    2000-01-01

    A delta-doped hybrid advanced detector (HAD) is provided which combines at least four types of technologies to create a detector for energetic particles ranging in energy from hundreds of electron volts (eV) to beyond several million eV. The detector is sensitive to photons from visible light to X-rays. The detector is highly energy-sensitive from approximately 10 keV down to hundreds of eV. The detector operates with milliwatt power dissipation, and allows non-sequential readout of the array, enabling various advanced readout schemes.

  12. Delta-doped hybrid advanced detector for low energy particle detection

    NASA Technical Reports Server (NTRS)

    Cunningham, Thomas J. (Inventor); Fossum, Eric R. (Inventor); Nikzad, Shouleh (Inventor); Pain, Bedabrata (Inventor); Soli, George A. (Inventor)

    2002-01-01

    A delta-doped hybrid advanced detector (HAD) is provided which combines at least four types of technologies to create a detector for energetic particles ranging in energy from hundreds of electron volts (eV) to beyond several million eV. The detector is sensitive to photons from visible light to X-rays. The detector is highly energy-sensitive from approximately 10 keV down to hundreds of eV. The detector operates with milliwatt power dissipation, and allows non-sequential readout of the array, enabling various advanced readout schemes.

  13. Nanometer fluorescent hybrid silica particle as ultrasensitive and photostable biological labels.

    PubMed

    Yang, Huang-Hao; Qu, Hui-Ying; Lin, Peng; Li, Shun-Hua; Ding, Ma-Tai; Xu, Jin-Gou

    2003-05-01

    Nanometer-sized fluorescent hybrid silica (NFHS) particles were prepared for use as sensitive and photostable fluorescent probes in biological staining and diagnostics. The first step of the synthesis involves the covalent modification of 3-aminopropyltrimethoxysilane with an organic fluorophore, such as fluorescein isothiocyanate, under N2 atmosphere for getting a fluorescent silica precursor. Then the NFHS particles, with a diameter of well below 40 nm, were prepared by controlled hydrolysis of the fluorescent silica precursor with tetramethoxysilane (TMOS) using the reverse micelle technique. The fluorophores are dispersed homogeneously in the silica network of the NFHS particles and well protected from the environmental oxygen. Furthermore, since the fluorophores are covalently bound to the silica network, there is no migration, aggregation and leakage of the fluorophores. In comparison with common single organic fluorophores, these particle probes are brighter, more stable against photobleaching and do not suffer from intermittent on/off light emission (blinking). We have used these newly developed NFHS particles as a fluorescent marker to label antibodies, using silica immobilization method, for the immunoassay of human alpha-fetoprotein (AFP). The detection limit of this method was down to 0.05 ng mL(-1) under our current experimental conditions. We think this material would attract much attention and be applied widely in biotechnology. PMID:12790198

  14. Investigation of Micro- and Nanosized Particle Erosion in a 90° Pipe Bend Using a Two-Phase Discrete Phase Model

    PubMed Central

    Safaei, M. R.; Mahian, O.; Garoosi, F.; Hooman, K.; Karimipour, A.; Kazi, S. N.; Gharehkhani, S.

    2014-01-01

    This paper addresses erosion prediction in 3-D, 90° elbow for two-phase (solid and liquid) turbulent flow with low volume fraction of copper. For a range of particle sizes from 10 nm to 100 microns and particle volume fractions from 0.00 to 0.04, the simulations were performed for the velocity range of 5–20 m/s. The 3-D governing differential equations were discretized using finite volume method. The influences of size and concentration of micro- and nanoparticles, shear forces, and turbulence on erosion behavior of fluid flow were studied. The model predictions are compared with the earlier studies and a good agreement is found. The results indicate that the erosion rate is directly dependent on particles' size and volume fraction as well as flow velocity. It has been observed that the maximum pressure has direct relationship with the particle volume fraction and velocity but has a reverse relationship with the particle diameter. It also has been noted that there is a threshold velocity as well as a threshold particle size, beyond which significant erosion effects kick in. The average friction factor is independent of the particle size and volume fraction at a given fluid velocity but increases with the increase of inlet velocities. PMID:25379542

  15. Simulation of charged-particle beam transport in a gas using a hybrid particle-fluid plasma model

    NASA Astrophysics Data System (ADS)

    Welch, D. R.; Olson, C. L.; Sanford, T. W. L.

    1994-03-01

    The simulation of charged-particle beam transport in a ˜1 Torr gas requires accurate plasma-electron modeling. A simple resistive model, which assumes local energy deposition and a thermal plasma-electron distribution, is inadequate. A hybrid model has been implemented into the particle-in-cell simulation code, iprop (The iprop Three-Dimensional Beam Propagation Code, AMRC-R-966, available from D. Welch, Mission Research Corporation, 1720 Randolph Road SE, Albuquerque, NM 87106, September 1987), in which plasma electrons are divided into high-energy macroparticle and thermal-fluid components. This model, which includes ``knock-on'' bound-electron collision and runaway sources for high-energy electrons, is then used in the simulation of relativistic electron-beam and ion-beam experiments. Results are found to be in agreement with HERMES III [Performance of the HERMES III Gamma Ray Simulator, in Digest of Technical Papers, 7th IEEE Pulsed Power Conference, Monterey, CA, 11 June 1989 (Institute of Electrical and Electronic Engineers, New York, 1989), pp. 26-31] and GAMBLE II [Phys. Rev. Lett. 70, 2573 (1993)] experimental observables.

  16. A hybrid particle-mesh method for incompressible active polar viscous gels

    NASA Astrophysics Data System (ADS)

    Ramaswamy, Rajesh; Bourantas, George; Jülicher, Frank; Sbalzarini, Ivo F.

    2015-06-01

    We present a hybrid particle-mesh method for numerically solving the hydrodynamic equations of incompressible active polar viscous gels. These equations model the dynamics of polar active agents, embedded in a viscous medium, in which stresses are induced through constant consumption of energy. The numerical method is based on Lagrangian particles and staggered Cartesian finite-difference meshes. We show that the method is second-order and first-order accurate with respect to grid and time-step sizes, respectively. Using the present method, we simulate the hydrodynamics in rectangular geometries, of a passive liquid crystal, of an active polar film and of active gels with topological defects in polarization. We show the emergence of spontaneous flow due to Fréedericksz transition, and transformation in the nature of topological defects by tuning the activity of the system.

  17. Hybrid Bacterial Foraging and Particle Swarm Optimization for detecting Bundle Branch Block.

    PubMed

    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. PMID:26361582

  18. Hybrid Gas Sensing and Transport Properties of Few-Walled CNTs Decorated with Discrete SnO₂ Nanoparticles.

    PubMed

    Ranganathan, Kamalakannan; Shanmugam, Ilango; Kamruddin, Mohammed; Tyagi, Ashok K

    2016-01-01

    CVD grown, few walled carbon nanotubes (FWCNTs) were quasi decorated with SnO₂nanoparticles (FWCNTs-SnO₂) and its gas sensing properties were analyzed with ammonia and ethanol. At room temperature FWCNTs-SnO₂show enhanced 'p type' gas sensing response than FWCNTs. Activation of SnO₂at high temperatures led to systematic changes in the sensing behavior towards 'n type' response. Temperature dependent transport behavior was found to be a one dimensional variable range hopping mechanism (1 D-VRH) for the FWCNTs and a 3D-VRH mechanism for the FWCNTs-SnO2. These temperature dependent gas transport and sensing properties elucidate the hybrid nature of the nanocomposite with novel characteristics. This also implies its importance as a potential gas sensor material. PMID:27398589

  19. Hybrid simulation of energetic particle effects on tearing modes in tokamak plasmas

    SciTech Connect

    Cai Huishan; Fu Guoyong

    2012-07-15

    The effects of energetic ions on stability of tearing mode are investigated by global kinetic/MHD hybrid simulations in a low beta tokamak plasma. The kinetic effects of counter circulating energetic ions from the non-adiabatic response are found to be strongly destabilizing while the effects from the adiabatic response are stabilizing. The net effect with both adiabatic and non-adiabatic contributions is destabilizing. On the other hand, the kinetic effects of co-circulating energetic ions from the non-adiabatic response are calculated to be weakly stabilizing while the corresponding adiabatic contribution is destabilizing for small energetic ion beta. The net effect is weakly stabilizing. The dependence of kinetic effects on energetic ion beta, gyroradius, and speed is studied systematically and the results agree in large part with the previous analytic results for the kinetic effects of circulating particles. For trapped energetic ions, their effects on tearing mode stability are dominated by the adiabatic response due to large banana orbit width and strong poloidal variation of particle pressure. The net effect of trapped energetic particles on tearing modes is much more destabilizing as compared to that of counter circulating particles at the same beta value.

  20. A hybrid stochastic-deconvolution model for large-eddy simulation of particle-laden flow

    SciTech Connect

    Michałek, W. R.; Kuerten, J. G. M.; Zeegers, J. C. H.; Liew, R.; Pozorski, J.; Geurts, B. J.

    2013-12-15

    We develop a hybrid model for large-eddy simulation of particle-laden turbulent flow, which is a combination of the approximate deconvolution model for the resolved scales and a stochastic model for the sub-grid scales. The stochastic model incorporates a priori results of direct numerical simulation of turbulent channel flow, which showed that the parameters in the stochastic model are quite independent of Reynolds and Stokes number. In order to correctly predict the flux of particles towards the walls an extra term should be included in the stochastic model, which corresponds to the term related to the well-mixed condition in Langevin models for particle dispersion in inhomogeneous turbulent flow. The model predictions are compared with results of direct numerical simulation of channel flow at a frictional Reynolds number of 950. The inclusion of the stochastic forcing is shown to yield a significant improvement over the approximate deconvolution model for the particles alone when combined with a Stokes dependent weight-factor for the well-mixed term.

  1. Center for Gyrokinetic/MHD Hybrid Simulation of Energetic Particle Physics in Toroidal Plasmas (CSEPP). Final report

    SciTech Connect

    Chen, Yang

    2012-03-07

    At Colorado University-Boulder the primary task is to extend our gyrokinetic Particle-in-Cell simulation of tokamak micro-turbulence and transport to the area of energetic particle physics. We have implemented a gyrokinetic ion/massless fluid electron hybrid model in the global {delta} f-PIC code GEM, and benchmarked the code with analytic results on the thermal ion radiative damping rate of Toroidal Alfven Eigenmodes (TAE) and with mode frequency and spatial structure from eigenmode analysis. We also performed nonlinear simulations of both a single-n mode (n is the toroidal mode number) and multiple-n modes, and in the case of single-n, benchmarked the code on the saturation amplitude vs. particle collision rate with analytical theory. Most simulations use the f method for both ions species, but we have explored the full-f method for energetic particles in cases where the burst amplitude of the excited instabilities is large as to cause significant re-distribution or loss of the energetic particles. We used the hybrid model to study the stability of high-n TAEs in ITER. Our simulations show that the most unstable modes in ITER lie in the rage of 10 < n < 20. Thermal ion pressure effect and alpha particles non-perturbative effect are important in determining the mode radial location and stability threshold. The thermal ion Landau damping rate and radiative damping rate from the simulations are compared with analytical estimates. The thermal ion Landau damping is the dominant damping mechanism. Plasma elongation has a strong stabilizing effect on the alpha driven TAEs. The central alpha particle pressure threshold for the most unstable n=15 mode is about {beta}{sub {alpha}}(0) = 0.7% for the fully shaped ITER equilibrium. We also carried nonlinear simulations of the most unstable n = 15 mode and found that the saturation amplitude for the nominal ITER discharge is too low to cause large redistribution or loss of alpha particles. To include kinetic electron effects

  2. Directed assembly of discrete gold nanoparticle groupings usingbranched DNA scaffolds

    SciTech Connect

    Claridge, Shelley A.; Goh, Sarah L.; Frechet, Jean M.J.; Williams, Shara C.; Micheel, Christine M.; Alivisatos, A. Paul

    2004-09-14

    The concept of self-assembled dendrimers is explored for the creation of discrete nanoparticle assemblies. Hybridization of branched DNA trimers and nanoparticle-DNA conjugates results in the synthesis of nanoparticle trimer and tetramer complexes. Multiple tetramer architectures are investigated, utilizing Au-DNA conjugates with varying secondary structural motifs. Hybridization products are analyzed by gel electrophoresis, and discrete bands are observed corresponding to structures with increasing numbers of hybridization events. Samples extracted from each band are analyzed by transmission electron microscopy, and statistics compiled from micrographs are used to compare assembly characteristics for each architecture. Asymmetric structures are also produced in which both 5 and 10 nm Au particles are assembled on branched scaffolds.

  3. Influence of particles on the loading capacity and the temperature rise of water film in Ultra-high speed hybrid bearing

    NASA Astrophysics Data System (ADS)

    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.

  4. Exact Hybrid Particle/Population Simulation of Rule-Based Models of Biochemical Systems

    PubMed Central

    Stover, Lori J.; Nair, Niketh S.; Faeder, James R.

    2014-01-01

    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 significant memory

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

    PubMed

    Hogg, Justin S; Harris, Leonard A; Stover, Lori J; Nair, Niketh S; Faeder, James R

    2014-04-01

    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 significant memory savings

  6. Study of the absorption coefficient of alpha particles to lower hybrid waves in tokamak

    SciTech Connect

    Wang, Jianbing Zhang, Xianmei Yu, Limin Zhao, Xiang

    2014-02-12

    Part of the energy of the Lower Hybrid (LH) waves may be absorbed by the α particles via the so-called perpendicular landau damping mechanism, which depends on various parameters of fusion reactors and the LH waves. In this article, we calculate the absorption coefficient γ{sub α} of LH waves due to α particles. Results show that, the γ{sub α} increases with the parallel refraction index n{sub ∥} while deceases with increasing the frequency of LH waves ω{sub LH} over a wide range. Higher background plasma temperature and toroidal magnetic field will increase the absorption, and there is a peak value of γ{sub α} when n{sub e}≈8×10{sup 19}m{sup −3} for ITER-like scenario. The thermal corrections to the cold plasma dispersion relation will change the damping rate to a certain extent under some specific conditions. We have also evaluated the fraction of LH power absorbed by the alpha particles, η ≈ 0.47% and 4.1% for an LH frequency of 5 GHz and 3.7 GHz respectively for ITER-like scenario. This work gives the effective reference for the choice of parameters of future fusion reactors.

  7. Quercetin conjugated silica particles as novel biofunctional hybrid materials for biological applications.

    PubMed

    Vergara-Castañeda, Hayde; Hernandez-Martinez, Angel R; Estevez, Miriam; Mendoza, Sandra; Luna-Barcenas, Gabriel; Pool, Héctor

    2016-03-15

    The aim of this work is to formulate biofunctional hybrid materials (HMs) with quercetin (QC) and silica particles (SiPs) by simple methods such as sol-gel and QC conjugation. Physicochemical characterization included particle size, zeta potential (ζ), FTIR and SEM imaging. Spherical particles with ca. 115 nm in diameter were produced, ζ and FTIR demonstrated that QC conjugation was successfully achieved. Electrochemical analyses performed by cyclic voltammetry (CV) suggested that potential binding sites between QC and SiPs may be at functional groups from A ring or C ring, affecting the transfer electron of resorcinol moiety. Iron chelating activity and lipid peroxidation assays showed that after conjugation to SiPs, QC decreased its metal chelating activity, but anti-radical properties is maintained. Our results demonstrated that our proposed method is simple and effective to obtain bio-functional HMs. Our findings prove to be useful in the design of protective approaches against lipid oxidation in food, pharmaceutical, and cosmetics fields. PMID:26704475

  8. LDRD final report : on the development of hybrid level-set/particle methods for modeling surface evolution during feature-scale etching and deposition processes.

    SciTech Connect

    McBride, Cory L.; Schmidt, Rodney Cannon; Musson, Lawrence Cale

    2005-01-01

    Two methods for creating a hybrid level-set (LS)/particle method for modeling surface evolution during feature-scale etching and deposition processes are developed and tested. The first method supplements the LS method by introducing Lagrangian marker points in regions of high curvature. Once both the particle set and the LS function are advanced in time, minimization of certain objective functions adjusts the LS function so that its zero contour is in closer alignment with the particle locations. It was found that the objective-minimization problem was unexpectedly difficult to solve, and even when a solution could be found, the acquisition of it proved more costly than simply expanding the basis set of the LS function. The second method explored is a novel explicit marker-particle method that we have named the grid point particle (GPP) approach. Although not a LS method, the GPP approach has strong procedural similarities to certain aspects of the LS approach. A key aspect of the method is a surface rediscretization procedure--applied at each time step and based on a global background mesh--that maintains a representation of the surface while naturally adding and subtracting surface discretization points as the surface evolves in time. This method was coded in 2-D, and tested on a variety of surface evolution problems by using it in the ChISELS computer code. Results shown for 2-D problems illustrate the effectiveness of the method and highlight some notable advantages in accuracy over the LS method. Generalizing the method to 3D is discussed but not implemented.

  9. Global particle simulation of lower hybrid wave propagation and mode conversion in tokamaks

    SciTech Connect

    Bao, J.; Lin, Z.; Kuley, A.

    2015-12-10

    Particle-in-cell simulation of lower hybrid (LH) waves in core plasmas is presented with a realistic electron-to-ion mass ratio in toroidal geometry. Due to the fact that LH waves mainly interact with electrons to drive the current, ion dynamic is described by cold fluid equations for simplicity, while electron dynamic is described by drift kinetic equations. This model could be considered as a new method to study LH waves in tokamak plasmas, which has advantages in nonlinear simulations. The mode conversion between slow and fast waves is observed in the simulation when the accessibility condition is not satisfied, which is consistent with the theory. The poloidal spectrum upshift and broadening effects are observed during LH wave propagation in the toroidal geometry.

  10. Global particle simulation of lower hybrid wave propagation and mode conversion in tokamaks

    NASA Astrophysics Data System (ADS)

    Bao, J.; Lin, Z.; Kuley, A.

    2015-12-01

    Particle-in-cell simulation of lower hybrid (LH) waves in core plasmas is presented with a realistic electron-to-ion mass ratio in toroidal geometry. Due to the fact that LH waves mainly interact with electrons to drive the current, ion dynamic is described by cold fluid equations for simplicity, while electron dynamic is described by drift kinetic equations. This model could be considered as a new method to study LH waves in tokamak plasmas, which has advantages in nonlinear simulations. The mode conversion between slow and fast waves is observed in the simulation when the accessibility condition is not satisfied, which is consistent with the theory. The poloidal spectrum upshift and broadening effects are observed during LH wave propagation in the toroidal geometry.

  11. Shape Analysis of DNA-Au Hybrid Particles by Analytical Ultracentrifugation.

    PubMed

    Urban, Maximilan J; Holder, Isabelle T; Schmid, Marius; Fernandez Espin, Vanesa; Garcia de la Torre, Jose; Hartig, Jörg S; Cölfen, Helmut

    2016-08-23

    Current developments in nanotechnology have increased the demand for nanocrystal assemblies with well-defined shapes and tunable sizes. DNA is a particularly well-suited building block in nanoscale assemblies because of its scalable sizes, conformational variability, and convenient self-assembly capabilities via base pairing. In hybrid materials, gold nanoparticles (AuNPs) can be assembled into nanoparticle structures with programmable interparticle distances by applying appropriate DNA sequences. However, the development of stoichiometrically defined DNA/NP structures is still challenging since product mixtures are frequently obtained and their purification and characterization is the rate-limiting step in the development of DNA-NP hybrid assemblies. Improvements in nanostructure fractionation and characterization techniques offer great potential for nanotechnology applications in general. This study reports the application of analytical ultracentrifugation (AUC) for the characterization of anisotropic DNA-linked metal-crystal assemblies. On the basis of transmission electron microscopy data and the DNA primary sequence, hydrodynamic bead models are set up for the interpretation of the measured frictional ratios and sedimentation coefficients. We demonstrate that the presence of single DNA strands on particle surfaces as well as the shape factors of multiparticle structures in mixtures can be quantitatively described by AUC. This study will significantly broaden the possibilities to analyze mixtures of shape-anisotropic nanoparticle assemblies. By establishing insights into the analysis of nanostructure mixtures based on fundamental principles of sedimentation, a wide range of potential applications in basic research and industry become accessible. PMID:27459174

  12. Discrete spectrum of a noncompact perturbation of a three-particle Schrödinger operator on a lattice

    NASA Astrophysics Data System (ADS)

    Muminov, M. E.; Aliev, N. M.

    2015-03-01

    We consider a system of three arbitrary quantum particles on a three-dimensional lattice interacting via attractive pair-contact potentials and attractive potentials of particles at the nearest-neighbor sites. We prove that the Hamiltonian of the corresponding three-particle system has infinitely many eigenvalues. We also list different types of attractive potentials whose eigenvalues can be to the left of the essential spectrum, in a gap in the essential spectrum, and in the essential spectrum of the considered operator.

  13. Extension and Validation of a Hybrid Particle-Finite Element Method for Hypervelocity Impact Simulation. Chapter 2

    NASA Technical Reports Server (NTRS)

    Fahrenthold, Eric P.; Shivarama, Ravishankar

    2004-01-01

    The hybrid particle-finite element method of Fahrenthold and Horban, developed for the simulation of hypervelocity impact problems, has been extended to include new formulations of the particle-element kinematics, additional constitutive models, and an improved numerical implementation. The extended formulation has been validated in three dimensional simulations of published impact experiments. The test cases demonstrate good agreement with experiment, good parallel speedup, and numerical convergence of the simulation results.

  14. Lower hybrid instability driven by mono-energy {alpha}-particles with finite pitch angle spread in a plasma

    SciTech Connect

    Kumar, Pawan; Singh, Vishwesh; Tripathi, V. K.

    2013-02-15

    A kinetic formalism of lower hybrid wave instability, driven by mono-energy {alpha}-particles with finite pitch angle spread, is developed. The instability arises through cyclotron resonance interaction with high cyclotron harmonics of {alpha}-particles. The {alpha}-particles produced in D-T fusion reactions have huge Larmor radii ({approx}10 cm) as compared to the wavelength of the lower hybrid wave, whereas their speed is an order of magnitude smaller than the speed of light in vacuum. As a result, large parallel phase velocity lower hybrid waves, suitable for current drive in tokamak, are driven unstable via coupling to high cyclotron harmonics. The growth rate decreases with increase in pitch angle spread of the beam. At typical electron density of {approx}10{sup 19} m{sup -3}, magnetic field {approx}4 Tesla and {alpha}-particle concentration {approx}0.1%, the large parallel phase velocity lower hybrid wave grows on the time scale of 20 ion cyclotron periods. The growth rate decreases with plasma density.

  15. Lower hybrid instability driven by mono-energy α-particles with finite pitch angle spread in a plasma

    NASA Astrophysics Data System (ADS)

    Kumar, Pawan; Singh, Vishwesh; Tripathi, V. K.

    2013-02-01

    A kinetic formalism of lower hybrid wave instability, driven by mono-energy α-particles with finite pitch angle spread, is developed. The instability arises through cyclotron resonance interaction with high cyclotron harmonics of α-particles. The α-particles produced in D-T fusion reactions have huge Larmor radii (˜10 cm) as compared to the wavelength of the lower hybrid wave, whereas their speed is an order of magnitude smaller than the speed of light in vacuum. As a result, large parallel phase velocity lower hybrid waves, suitable for current drive in tokamak, are driven unstable via coupling to high cyclotron harmonics. The growth rate decreases with increase in pitch angle spread of the beam. At typical electron density of ˜1019 m-3, magnetic field ˜4 Tesla and α-particle concentration ˜0.1%, the large parallel phase velocity lower hybrid wave grows on the time scale of 20 ion cyclotron periods. The growth rate decreases with plasma density.

  16. Characterization and evaluation of C18 HPLC stationary phases based on ethyl-bridged hybrid organic/inorganic particles.

    PubMed

    Wyndham, Kevin D; O'Gara, John E; Walter, Thomas H; Glose, Kenneth H; Lawrence, Nicole L; Alden, Bonnie A; Izzo, Gary S; Hudalla, Christopher J; Iraneta, Pamela C

    2003-12-15

    The characterization and evaluation of three novel 5-microm HPLC column packings, prepared using ethyl-bridged hybrid organic/inorganic materials, is described. These highly spherical hybrid particles, which vary in specific surface area (140, 187, and 270 m(2)/g) and average pore diameter (185, 148, and 108 A), were characterized by elemental analysis, SEM, and nitrogen sorption analysis and were chemically modified in a two-step process using octadecyltrichlorosilane and trimethylchlorosilane. The resultant bonded materials had an octadecyl surface concentration of 3.17-3.35 micromol/m(2), which is comparable to the coverage obtained for an identically bonded silica particle (3.44 micromol/m(2)) that had a surface area of 344 m(2)/g. These hybrid materials were shown to have sufficient mechanical strength under conditions normally employed for traditional reversed-phase HPLC applications, using a high-pressure column flow test. The chromatographic properties of the C(18) bonded hybrid phases were compared to a C(18) bonded silica using a variety of neutral and basic analytes under the same mobile-phase conditions. The hybrid phases exhibited similar selectivity to the silica-based column, yet had improved peak tailing factors for the basic analytes. Column retentivity increased with increasing particle surface area. Elevated pH aging studies of these hybrid materials showed dramatic improvement in chemical stability for both bonded and unbonded hybrid materials compared to the C(18) bonded silica phase, as determined by monitoring the loss in column efficiency through 140-h exposure to a pH 10 triethylamine mobile phase at 50 degrees C. PMID:14670036

  17. Protons and alpha particles in the expanding solar wind: Hybrid simulations

    NASA Astrophysics Data System (ADS)

    Hellinger, Petr; Trávníček, Pavel M.

    2013-09-01

    We present results of a two‒dimensional hybrid expanding box simulation of a plasma system with three ion populations, beam and core protons, and alpha particles (and fluid electrons), drifting with respect to each other. The expansion with a strictly radial magnetic field leads to a decrease of the ion perpendicular to parallel temperature ratios as well as to an increase of the ratio between the ion relative velocities and the local Alfvén velocity creating a free energy for many different instabilities. The system is most of the time marginally stable with respect to kinetic instabilities mainly due to the ion relative velocities; these instabilities determine the system evolution counteracting some effects of the expansion. Nonlinear evolution of these instabilities leads to large modifications of the ion velocity distribution functions. The beam protons and alpha particles are decelerated with respect to the core protons and all the populations are cooled in the parallel direction and heated in the perpendicular one. On the macroscopic level, the kinetic instabilities cause large departures of the system evolution from the double adiabatic prediction and lead to perpendicular heating and parallel cooling rates which are comparable to the heating rates estimated from the Helios observations.

  18. Pegasus: A new hybrid-kinetic particle-in-cell code for astrophysical plasma dynamics

    NASA Astrophysics Data System (ADS)

    Kunz, Matthew W.; Stone, James M.; Bai, Xue-Ning

    2014-02-01

    We describe Pegasus, a new hybrid-kinetic particle-in-cell code tailored for the study of astrophysical plasma dynamics. The code incorporates an energy-conserving particle integrator into a stable, second-order-accurate, three-stage predictor-predictor-corrector integration algorithm. The constrained transport method is used to enforce the divergence-free constraint on the magnetic field. A δf scheme is included to facilitate a reduced-noise study of systems in which only small departures from an initial distribution function are anticipated. The effects of rotation and shear are implemented through the shearing-sheet formalism with orbital advection. These algorithms are embedded within an architecture similar to that used in the popular astrophysical magnetohydrodynamics code Athena, one that is modular, well-documented, easy to use, and efficiently parallelized for use on thousands of processors. We present a series of tests in one, two, and three spatial dimensions that demonstrate the fidelity and versatility of the code.

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

    NASA Astrophysics Data System (ADS)

    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.

  20. Hybrid extended particle filter (HEPF) for integrated inertial navigation and global positioning systems

    NASA Astrophysics Data System (ADS)

    Aggarwal, Priyanka; Syed, Zainab; El-Sheimy, Naser

    2009-05-01

    Navigation includes the integration of methodologies and systems for estimating time-varying position, velocity and attitude of moving objects. Navigation incorporating the integrated inertial navigation system (INS) and global positioning system (GPS) generally requires extensive evaluations of nonlinear equations involving double integration. Currently, integrated navigation systems are commonly implemented using the extended Kalman filter (EKF). The EKF assumes a linearized process, measurement models and Gaussian noise distributions. These assumptions are unrealistic for highly nonlinear systems like land vehicle navigation and may cause filter divergence. A particle filter (PF) is developed to enhance integrated INS/GPS system performance as it can easily deal with nonlinearity and non-Gaussian noises. In this paper, a hybrid extended particle filter (HEPF) is developed as an alternative to the well-known EKF to achieve better navigation data accuracy for low-cost microelectromechanical system sensors. The results show that the HEPF performs better than the EKF during GPS outages, especially when simulated outages are located in periods with high vehicle dynamics.

  1. Preparation of double emulsions using hybrid polymer/silica particles: new pickering emulsifiers with adjustable surface wettability.

    PubMed

    Williams, Mark; Warren, Nicholas J; Fielding, Lee A; Armes, Steven P; Verstraete, Pierre; Smets, Johan

    2014-12-10

    A facile route for the preparation of water-in-oil-in-water (w/o/w) double emulsions is described for three model oils, namely, n-dodecane, isopropyl myristate, and isononyl isononanoate, using fumed silica particles coated with poly(ethylene imine) (PEI). The surface wettability of such hybrid PEI/silica particles can be systematically adjusted by (i) increasing the adsorbed amount of PEI and (ii) addition of 1-undecanal to the oil phase prior to homogenization. In the absence of this long-chain aldehyde, PEI/silica hybrid particles (PEI/silica mass ratio = 0.50) produce o/w Pickering emulsions in all cases. In the presence of 1-undecanal, this reagent reacts with the primary and secondary amine groups on the PEI chains via Schiff base chemistry, which can render the PEI/silica hybrid particles sufficiently hydrophobic to stabilize w/o Pickering emulsions at 20 °C. Gas chromatography, (1)H NMR and X-ray photoelectron spectroscopy provide compelling experimental evidence for this in situ surface reaction, while a significant increase in the water contact angle indicates markedly greater hydrophobic character for the PEI/silica hybrid particles. However, when PEI/silica hybrid particles are prepared using a relatively low adsorbed amount of PEI (PEI/silica mass ratio = 0.075) only o/w Pickering emulsions are obtained, since the extent of surface modification achieved using this Schiff base chemistry is insufficient. Fluorescence microscopy and laser diffraction studies confirm that highly stable w/o/w double emulsions can be achieved for all three model oils. This is achieved by first homogenizing the relatively hydrophobic PEI/silica hybrid particles (PEI/silica mass ratio = 0.50) with an oil containing 3% 1-undecanal to form an initial w/o emulsion, followed by further homogenization using an aqueous dispersion of relatively hydrophilic PEI/silica particles (PEI/silica mass ratio = 0.075). Dye release from the internal aqueous cores into the aqueous continuous

  2. Global Hybrid Simulations of Energetic Particle Effects on the n=1 Mode in Tokamaks: Internal Kink and Fishbone Instability

    SciTech Connect

    G.Y. Fu; W. Park; H.R. Strauss; J. Breslau; J. Chen; S. Jardin; L.E. Sugiyama

    2005-08-09

    Global hybrid simulations of energetic particle effects on the n=1 internal kink mode have been carried out for tokamaks. For the International Thermonuclear Experimental Reactor (ITER) [ITER Physics Basis Editors et al., Nucl. Fusion 39:2137 (1999)], it is shown that alpha particle effects are stabilizing for the internal kink mode. However, the elongation of ITER reduces the stabilization effects significantly. Nonlinear simulations of the precessional drift fishbone instability for circular tokamak plasmas show that the mode saturates due to flattening of the particle distribution function near the resonance region. The mode frequency chirps down rapidly as the flattening region expands radially outward. Fluid nonlinearity reduces the saturation level.

  3. Production of Hybrid Chimeric PVX Particles Using a Combination of TMV and PVX-Based Expression Vectors

    PubMed Central

    Dickmeis, Christina; Honickel, Mareike Michaela Antonia; Fischer, Rainer; Commandeur, Ulrich

    2015-01-01

    We have generated hybrid chimeric potato virus X (PVX) particles by coexpression of different PVX coat protein fusions utilizing tobacco mosaic virus (TMV) and PVX-based expression vectors. Coinfection was achieved with a modified PVX overcoat vector displaying a fluorescent protein and a TMV vector expressing another PVX fluorescent overcoat fusion protein. Coexpression of the PVX-CP fusions in the same cells was confirmed by epifluorescence microscopy. Labeling with specific antibodies and transmission electron microscopy revealed chimeric particles displaying green fluorescent protein and mCherry on the surface. These data were corroborated by bimolecular fluorescence complementation. We used split-mCherry fragments as PVX coat fusions and confirmed an interaction between the split-mCherry fragments in coinfected cells. The presence of assembled split-mCherry on the surface confirmed the hybrid character of the chimeric particles. PMID:26636076

  4. Red-blood-cell-like BSA/Zn3(PO4)2 hybrid particles: Preparation and application to adsorption of heavy metal ions

    NASA Astrophysics Data System (ADS)

    Zhang, Baoliang; Li, Peitao; Zhang, Hepeng; Li, Xiangjie; Tian, Lei; Wang, Hai; Chen, Xin; Ali, Nisar; Ali, Zafar; Zhang, Qiuyu

    2016-03-01

    A novel kind of red-blood-cell-like bovine serum albumin (BSA)/Zn3(PO4)2 hybrid particle is prepared at room temperature by a facile and rapid one-step method based on coordination between BSA and zinc ion. The morphology of the monodisperse hybrid particle shows oblate spheroidal type with a one sided single hole on the surface. The hybrid particle is constructed with BSA/Zn3(PO4)2 nanoplates of 35 nm thick. The average particle size of hybrid particle is 2.3 μm, and its BET specific surface area is 146.64 cm2/g. To clarify the evolution of BSA/Zn3(PO4)2 hybrid particle, SEM and elemental analysis as a function of particle growth time are investigated. The formation mechanism of BSA/Zn3(PO4)2 hybrid particle, which can be described as crystallization, coordination and self-assembly process, is illustrated in detail. The as-prepared BSA/Zn3(PO4)2 hybrid particle is used for adsorption of Cu2+. The hybrid particle displayed excellent adsorption properties on Cu2+. The adsorption efficiency of BSA/Zn3(PO4)2 hybrid particles at 5 min and 30 min are 86.33% and 98.9%, respectively. The maximum adsorption capacity is 6.85 mg/g. Thus, this kind of novel adsorbent shows potential application value in ultra-fast and highly efficient removal of Cu2+.

  5. Use of hybrid composite particles prepared using alkoxysilane-functionalized amphiphilic polymer precursors for simultaneous removal of various pollutants from water.

    PubMed

    Cho, Seulki; Kim, Nahae; Lee, Soonjae; Lee, Hoseok; Lee, Sang-Hyup; Kim, Juyoung; Choi, Jae-Woo

    2016-08-01

    In this study, we present new inorganic-organic hybrid particles and their possible application as an adsorbent for simultaneous removal of hydrophobic and hydrophilic pollutants from water. These hybrid particles were prepared using tailor-made alkoxysilane-functionalized amphiphilic polymer precursors (M-APAS), which have amphiphilic polymers and reactive alkoxysilane groups attached to the same backbone. Through a single conventional sol-gel process, the polymerization of M-APAS and the chemical conjugation of M-APAS onto silica nanoparticles was simultaneous, resulting in the formation of hybrid particles (M-APAS-SiO2) comprised of hyperbranch-like amphiphilic polymers bonded onto silica nanoparticles with a relatively high grafting efficiency. A test for the adsorption of water-soluble dye (organe-16) and water insoluble dye (solvent blue-35) onto the hybrid particles was performed to evaluate the possibility of adsorbing hydrophilic and hydrophobic compound within the same particle. The hybrid particle was also evaluated as an adsorbent for the removal of contaminated water containing various pollutants by wastewater treatment test. The hybrid particle could remove phenolic compounds from wastewater and the azo dye reactive orange-16 from aqueous solutions, and it was easily separated from the treated wastewater because of the different densities involved. These results demonstrate that the hybrid particles are a promising sorbent for hydrophilic and/or hydrophobic pollutants in water. PMID:27179430

  6. The use of hybrid Virus-like Particles to enhance the immunogenicity of a broadly protective HPV vaccine

    PubMed Central

    Tyler, Mitchell; Tumban, Ebenezer; Peabody, David S.; Chackerian, Bryce

    2015-01-01

    Virus-like particles (VLPs) can serve as a highly immunogenic vaccine platform for the multivalent display of epitopes from pathogens. We have used bacteriophage VLPs to develop vaccines that target a highly conserved epitope from the Human Papillomavirus (HPV) minor capsid protein, L2. VLPs displaying an L2-peptide from HPV16 elicit antibodies that broadly neutralize infection by HPV types associated with the development of cervical cancer. To broaden the cross-neutralization further, we have developed a strategy to display two different peptides on a single, hybrid VLP in a multivalent, highly immunogenic fashion. In general, hybrid VLPs elicited high-titer antibody responses against both targets, although in one case we observed an immunodominant response against only one of the displayed epitopes. Immunization with hybrid particles elicited antibodies that were able to neutralize heterologous HPV types at higher titers than those elicited by particles displaying one epitope alone, indicating that the hybrid VLP approach may be an effective technique to target epitopes that undergo antigenic variation. PMID:24917327

  7. Asymptotics of the discrete spectrum of a model operator associated with a system of three particles on a lattice

    NASA Astrophysics Data System (ADS)

    Rasulov, T. Kh.

    2010-04-01

    We consider a model Schrödinger operator Hμ associated with a system of three particles on the threedimensional lattice ℤ 3 with a functional parameter of special form. We prove that if the corresponding Friedrichs model has a zero-energy resonance, then the operator Hμ has infinitely many negative eigenvalues accumulating at zero (the Efimov effect). We obtain the asymptotic expression for the number of eigenvalues of Hμ below z as z → -0.

  8. Preparation of Porous Chitosan-Siloxane Hybrids Coated with Hydroxyapatite Particles

    PubMed Central

    Shirosaki, Yuki; Okamoto, Kohei; Hayakawa, Satoshi; Osaka, Akiyoshi; Asano, Takuji

    2015-01-01

    This paper describes the apatite deposition of chitosan-silicate porous hybrids derived from chitosan and γ-glycidoxypropyltrimethoxysilane (GPTMS) in alkaline phosphate solution. The preparation of porous hybrids with needle-like apatite on their surfaces is described. Following apatite deposition the porous hybrids maintained high porosity. The enzymatic degradation rate was low even after 6 months and the porous hybrids were very flexible and cut easily using surgical scissors. PMID:26078948

  9. Results of an ISEE-1 experiment to study the interactions between energetic particles and discrete VLF waves in the magnetosphere

    NASA Technical Reports Server (NTRS)

    1980-01-01

    Despite the malfunctioning of the digital portion of the experiment which is encoding the absolute amplitude of the wave spectrum with a fixed bias of approximately 20 dB, the analog portion of the instrument is acquiring excellent data concerning the wave function and relative amplitude. Results obtained over a 2-year period which have important implications for magnetospheric wave-particle interactions are examined in the areas of emission generation by nonconducted coherent waves, and cold plasma distribution in the inner magnetosphere.

  10. a Hybrid Approach of Neural Network with Particle Swarm Optimization for Tobacco Pests Prediction

    NASA Astrophysics Data System (ADS)

    Lv, Jiake; Wang, Xuan; Xie, Deti; Wei, Chaofu

    Forecasting pests emergence levels plays a significant role in regional crop planting and management. The accuracy, which is derived from the accuracy of the forecasting approach used, will determine the economics of the operation of the pests prediction. Conventional methods including time series, regression analysis or ARMA model entail exogenous input together with a number of assumptions. The use of neural networks has been shown to be a cost-effective technique. But their training, usually with back-propagation algorithm or other gradient algorithms, is featured with some drawbacks such as very slow convergence and easy entrapment in a local minimum. This paper presents a hybrid approach of neural network with particle swarm optimization for developing the accuracy of predictions. The approach is applied to forecast Alternaria alternate Keissl emergence level of the WuLong Country, one of the most important tobacco planting areas in Chongqing. Traditional ARMA model and BP neural network are investigated as comparison basis. The experimental results show that the proposed approach can achieve better prediction performance.

  11. Particle filter based hybrid prognostics for health monitoring of uncertain systems in bond graph framework

    NASA Astrophysics Data System (ADS)

    Jha, Mayank Shekhar; Dauphin-Tanguy, G.; Ould-Bouamama, B.

    2016-06-01

    The paper's main objective is to address the problem of health monitoring of system parameters in Bond Graph (BG) modeling framework, by exploiting its structural and causal properties. The system in feedback control loop is considered uncertain globally. Parametric uncertainty is modeled in interval form. The system parameter is undergoing degradation (prognostic candidate) and its degradation model is assumed to be known a priori. The detection of degradation commencement is done in a passive manner which involves interval valued robust adaptive thresholds over the nominal part of the uncertain BG-derived interval valued analytical redundancy relations (I-ARRs). The latter forms an efficient diagnostic module. The prognostics problem is cast as joint state-parameter estimation problem, a hybrid prognostic approach, wherein the fault model is constructed by considering the statistical degradation model of the system parameter (prognostic candidate). The observation equation is constructed from nominal part of the I-ARR. Using particle filter (PF) algorithms; the estimation of state of health (state of prognostic candidate) and associated hidden time-varying degradation progression parameters is achieved in probabilistic terms. A simplified variance adaptation scheme is proposed. Associated uncertainties which arise out of noisy measurements, parametric degradation process, environmental conditions etc. are effectively managed by PF. This allows the production of effective predictions of the remaining useful life of the prognostic candidate with suitable confidence bounds. The effectiveness of the novel methodology is demonstrated through simulations and experiments on a mechatronic system.

  12. Efficient Scheduling of Scientific Workflows with Energy Reduction Using Novel Discrete Particle Swarm Optimization and Dynamic Voltage Scaling for Computational Grids

    PubMed Central

    Christobel, M.; Tamil Selvi, S.; Benedict, Shajulin

    2015-01-01

    One of the most significant and the topmost parameters in the real world computing environment is energy. Minimizing energy imposes benefits like reduction in power consumption, decrease in cooling rates of the computing processors, provision of a green environment, and so forth. In fact, computation time and energy are directly proportional to each other and the minimization of computation time may yield a cost effective energy consumption. Proficient scheduling of Bag-of-Tasks in the grid environment ravages in minimum computation time. In this paper, a novel discrete particle swarm optimization (DPSO) algorithm based on the particle's best position (pbDPSO) and global best position (gbDPSO) is adopted to find the global optimal solution for higher dimensions. This novel DPSO yields better schedule with minimum computation time compared to Earliest Deadline First (EDF) and First Come First Serve (FCFS) algorithms which comparably reduces energy. Other scheduling parameters, such as job completion ratio and lateness, are also calculated and compared with EDF and FCFS. An energy improvement of up to 28% was obtained when Makespan Conservative Energy Reduction (MCER) and Dynamic Voltage Scaling (DVS) were used in the proposed DPSO algorithm. PMID:26075296

  13. Efficient Scheduling of Scientific Workflows with Energy Reduction Using Novel Discrete Particle Swarm Optimization and Dynamic Voltage Scaling for Computational Grids.

    PubMed

    Christobel, M; Tamil Selvi, S; Benedict, Shajulin

    2015-01-01

    One of the most significant and the topmost parameters in the real world computing environment is energy. Minimizing energy imposes benefits like reduction in power consumption, decrease in cooling rates of the computing processors, provision of a green environment, and so forth. In fact, computation time and energy are directly proportional to each other and the minimization of computation time may yield a cost effective energy consumption. Proficient scheduling of Bag-of-Tasks in the grid environment ravages in minimum computation time. In this paper, a novel discrete particle swarm optimization (DPSO) algorithm based on the particle's best position (pbDPSO) and global best position (gbDPSO) is adopted to find the global optimal solution for higher dimensions. This novel DPSO yields better schedule with minimum computation time compared to Earliest Deadline First (EDF) and First Come First Serve (FCFS) algorithms which comparably reduces energy. Other scheduling parameters, such as job completion ratio and lateness, are also calculated and compared with EDF and FCFS. An energy improvement of up to 28% was obtained when Makespan Conservative Energy Reduction (MCER) and Dynamic Voltage Scaling (DVS) were used in the proposed DPSO algorithm. PMID:26075296

  14. The essential and discrete spectrum of a model operator associated to a system of three identical quantum particles

    NASA Astrophysics Data System (ADS)

    Albeverio, Sergio; Lakaev, Saidakhmat N.; Djumanova, Ramiza Kh.

    2009-06-01

    A model operator H associated to a system of three identical quantum particles on the three-dimensional lattice ℤ 3 is considered. The existence of eigenvalues lying below the essential spectrum of a family of Friedrichs models under rank-one perturbations h μα(p) , p∈T , α = 1, 2, is established. The essential spectrum of the operator H is described by the spectrum of the family of the Friedrichs models h μα(p) , p∈T , α = 1, 2. The following results are proven: The operator H has a finite number of eigenvalues lying below zero, if at least one of the Friedrichs models hμα(0), α = 1, 2, has a zero energy resonance. The operator H has infinitely many eigenvalues lying below zero and accumulating at zero, if both operators hμα(0), α = 1,2, have zero energy resonances.

  15. Discrete Newtonian cosmology: perturbations

    NASA Astrophysics Data System (ADS)

    Ellis, George F. R.; Gibbons, Gary W.

    2015-03-01

    In a previous paper (Gibbons and Ellis 2014 Discrete Newtonian cosmology Class. Quantum Grav. 31 025003), we showed how a finite system of discrete particles interacting with each other via Newtonian gravitational attraction would lead to precisely the same dynamical equations for homothetic motion as in the case of the pressure-free Friedmann-Lemaître-Robertson-Walker cosmological models of general relativity theory, provided the distribution of particles obeys the central configuration equation. In this paper we show that one can obtain perturbed such Newtonian solutions that give the same linearized structure growth equations as in the general relativity case. We also obtain the Dmitriev-Zel’dovich equations for subsystems in this discrete gravitational model, and show how it leads to the conclusion that voids have an apparent negative mass.

  16. A fluid-particle hybrid framework for the PLUTO code: applications to non-thermal emission in jets.

    NASA Astrophysics Data System (ADS)

    Vaidya, B.; Mignone, A.; Bodo, G.; Massaglia, S.

    2016-05-01

    We present an implementation of a fully parallel hybrid framework for the evolution of Lagrangian particles coupled to a MHD fluid for the PLUTO code. For the applications of interest, particles represent ensembles of electrons whose spectral energy distribution is governed by a kinetic transport equation that takes into account different physical processes such as diffusive shock acceleration, synchrotron emission and adiabatic expansion. An application to model non-thermal emission from extragalactic jets shows the effectiveness and strength of the approach in describing not only the dynamics but also the radiation properties of jets and, in general, of high-energy astrophysical plasma environments.

  17. Brush/gold nanoparticle hybrids: effect of grafting density on the particle uptake and distribution within weak polyelectrolyte brushes.

    PubMed

    Christau, Stephanie; Möller, Tim; Yenice, Zuleyha; Genzer, Jan; von Klitzing, Regine

    2014-11-01

    The effect of the brush grafting density on the loading of 13 nm gold nanoparticles (AuNPs) into stimuli-responsive poly(N,N-(dimethylamino ethyl) methacrylate) (PDMAEMA) brushes anchored to flat impenetrable substrates is reported. Atom-transfer radical polymerization (ATRP) is used to grow polymer brushes via a "grafting from" approach from a 2-bromo-2-methyl-N-(3-(triethoxysilyl) propyl) propanamide (BTPAm)-covered silicon substrate. The grafting density is varied by using mixtures of initiator and a "dummy" molecule that is not able to initiate polymerization. A systematic study is carried out by varying the brush grafting density while keeping all of the other parameters constant. X-ray reflectivity is a suitable tool for investigating the spatial structure of the hybrid, and it is combined with scanning electron microscopy and UV/vis spectroscopy to study the particle loading and interpenetration of the particles within the polymer brush matrix. The particle uptake increases with decreasing grafting density and is highest for an intermediate grafting density because more space between the polymer chains is available. For very low grafting densities of PDMAEMA brushes, the particle uptake decreases because of a lack of the polymer matrix for the attachment of particles. The structure of the surface-grafted polymer chains changes after particle attachment. More water is incorporated into the brush matrix after particle immobilization, which leads to a swelling of the polymer chains in the hybrid material. Water can be removed from the brush by decreasing the relative humidity, which leads to brush shrinking and forces the AuNPs to get closer to each other. PMID:25275215

  18. A new non-overlapping concept to improve the Hybrid Particle Level Set method in multi-phase fluid flows

    NASA Astrophysics Data System (ADS)

    Archer, Philip J.; Bai, Wei

    2015-02-01

    A novel non-overlapping concept is augmented to the Hybrid Particle Level Set (HPLS) method to improve its accuracy and suitability for the modelling of multi-phase fluid flows. The concept addresses shortcomings in the reseeding algorithm, which maintains resolution of the surface at runtime. These shortcomings result in the misplacement of newly seeded particles in the opposite signed domain and necessitate a restriction on the distance that a particle can escape without deletion, which reduces the effectiveness of the method. The non-overlapping concept judges the suitability of potential new particles based on information already contained within the particle representation of the surface. By preventing the misplacement of particles it is possible to significantly relax the distance restriction thereby increasing the accuracy of the HPLS method in multi-phase flows. To demonstrate its robustness and efficiency, the concept is examined with a number of challenging test cases, including both level-set-only simulations and two-phase fluid flows.

  19. Discrete resonances

    NASA Astrophysics Data System (ADS)

    Vivaldi, Franco

    2015-12-01

    The concept of resonance has been instrumental to the study of Hamiltonian systems with divided phase space. One can also define such systems over discrete spaces, which have a finite or countable number of points, but in this new setting the notion of resonance must be re-considered from scratch. I review some recent developments in the area of arithmetic dynamics which outline some salient features of linear and nonlinear stable (elliptic) orbits over a discrete space, and also underline the difficulties that emerge in their analysis.

  20. Discrete resonances

    NASA Astrophysics Data System (ADS)

    Vivaldi, Franco

    The concept of resonance has been instrumental to the study of Hamiltonian systems with divided phase space. One can also define such systems over discrete spaces, which have a finite or countable number of points, but in this new setting the notion of resonance must be re-considered from scratch. I review some recent developments in the area of arithmetic dynamics which outline some salient features of linear and nonlinear stable (elliptic) orbits over a discrete space, and also underline the difficulties that emerge in their analysis.

  1. Identification of inelastic parameters based on deep drawing forming operations using a global-local hybrid Particle Swarm approach

    NASA Astrophysics Data System (ADS)

    Vaz, Miguel; Luersen, Marco A.; Muñoz-Rojas, Pablo A.; Trentin, Robson G.

    2016-04-01

    Application of optimization techniques to the identification of inelastic material parameters has substantially increased in recent years. The complex stress-strain paths and high nonlinearity, typical of this class of problems, require the development of robust and efficient techniques for inverse problems able to account for an irregular topography of the fitness surface. Within this framework, this work investigates the application of the gradient-based Sequential Quadratic Programming method, of the Nelder-Mead downhill simplex algorithm, of Particle Swarm Optimization (PSO), and of a global-local PSO-Nelder-Mead hybrid scheme to the identification of inelastic parameters based on a deep drawing operation. The hybrid technique has shown to be the best strategy by combining the good PSO performance to approach the global minimum basin of attraction with the efficiency demonstrated by the Nelder-Mead algorithm to obtain the minimum itself.

  2. Medium-energy electrons and heavy ions in Jupiter's magnetosphere - Effects of lower hybrid wave-particle interactions

    NASA Technical Reports Server (NTRS)

    Barbosa, D. D.

    1986-01-01

    A theory of medium-energy (about keV) electrons and heavy ions in Jupiter's magnetosphere is presented. Lower hybrid waves are generated by the combined effects of a ring instability of neutral wind pickup ions and the modified two-stream instability associated with transport of cool Iogenic plasma. The quasi-linear energy diffusion coefficient for lower hybrid wave-particle interactions is evaluated, and several solutions to the diffusion equation are given. Calculations based on measured wave properties show that the noise substantially modifies the particle distribution functions. The effects are to accelerate superthermal ions and electrons to keV energies and to thermalize the pickup ions on time scales comparable to the particle residence time. The S(2+)/S(+) ratio at medium energies is a measure of the relative contribution from Iogenic thermal plasma and neutral wind ions, and this important quantity should be determined from future measurements. The theory also predicts a preferential acceleration of heavy ions with an accleration time that scales inversely with the root of the ion mass. Electrons accelerated by the process contribute to further reionization of the neutral wind by electron impact, thus providing a possible confirmation of Alfven's critical velocity effect in the Jovian magnetosphere.

  3. Development of hybrid particle tracking algorithms and their applications in airflow measurement within an aircraft cabin mock-up

    NASA Astrophysics Data System (ADS)

    Yan, Wei

    Obtaining reliable experimental airflow data within an indoor environment is a challenging task and critical in studying and solving indoor air quality problems. The Hybrid Particle Tracking Velocimetry (HPTV) system is aimed at fulfilling this need. It was developed based on existing Particle Tracking Velocimety (PTV) and Volumetric Particle Tracking Velocimetry (VPTV) techniques. The HPTV system requires three charge-coupled device (CCD) cameras to view the illuminated flow field and capture the trajectories of the seeded particles. By adopting the hybrid spatial matching and object tracking algorithms, this system can acquire the 3-Dimensional velocity components within a large volume with relatively high spatial and temporal resolution. Synthetic images were employed to validate the performance of three components of the system: image processing, camera calibration and 3D velocity reconstruction. These three components are also the main error sources. The accuracy of the whole algorithm was analyzed and discussed through a back projection approach. The results showed that the algorithms performed effectively and accurately. The reconstructed 3D trajectories and streaks agreed well with the simulated streamline of the particles. As an overall testing and application of the system, HPTV was applied to measure the airflow pattern within a full-scale, five-row section of a Boeing 767-300 aircraft cabin mockup. A complete experimental procedure was developed and strictly followed throughout the experiment. Both global flow field at the whole cabin scale and the local flow field at the breathing zone of one passenger were studied. Each test case was also simulated numerically using a commercial computational fluid dynamic (CFD) package. Through comparison between the results from the numerical simulation and the experimental measurement, the potential model validation capability of the system was demonstrated. Possible reasons explaining the difference between

  4. Spontaneous insertion of carbon nanotube bundles inside biomembranes: A hybrid particle-field coarse-grained molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Sarukhanyan, Edita; De Nicola, Antonio; Roccatano, Danilo; Kawakatsu, Toshihiro; Milano, Giuseppe

    2014-03-01

    The processes of CNTs bundle formation and insertion/rearrangement inside lipid bilayers, as models of cellular membranes, is described and analyzed in details using simulations on the microsecond scale. Molecular Dynamics simulations employing hybrid particle-field models (MD-SCF) show that during the insertion process lipid molecules coat bundles surfaces. The distortions of bilayers are more pronounced for systems undergoing to insertion of bundles made of longer CNTs. In particular, when the insertion occurs in perpendicular orientation, adsorption of lipids on CNTs surfaces promotes a transient poration. This result suggests mechanism of membrane disruption operated by bundles causing the formation of solvent-rich pockets.

  5. Membrane flux dynamics in the submerged ultrafiltration hybrid treatment process during particle and natural organic matter removal.

    PubMed

    Zhang, Wei; Zhang, Xiaojian; Li, Yonghong; Wang, Jun; Chen, Chao

    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, (J(P)/J(P0) = a x exp{-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 J(P)/J(P0) 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 (SigmaJ(P)) 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. PMID:22432326

  6. Multi-responsive hybrid particles: thermo-, pH-, photo-, and magneto-responsive magnetic hydrogel cores with gold nanorod optical triggers.

    PubMed

    Rittikulsittichai, Supparesk; Kolhatkar, Arati G; Sarangi, Subhasis; Vorontsova, Maria A; Vekilov, Peter G; Brazdeikis, Audrius; Randall Lee, T

    2016-06-01

    The research strategy described in this manuscript harnesses the attractive properties of hydrogels, gold nanorods (Aurods), and magnetic nanoparticles (MNPs) by synthesizing one unique multi-responsive nanostructure. This novel hybrid structure consists of silica-coated magnetic particles encapsulated within a thermo-responsive P(NIPAM-co-AA) hydrogel network on which Aurods are assembled. Furthermore, this research demonstrates that these composite particles respond to several forms of external stimuli (temperature, pH, light, and/or applied magnetic field) owing to their specific architecture. Exposure of the hybrid particles to external stimuli led to a systematic and reversible variation in the hydrodynamic diameter (swelling-deswelling) and thus in the optical properties of the hybrid particles (red-shifting of the plasmon band). Such stimuli-responsive volume changes can be effectively exploited in drug-delivery applications. PMID:27227963

  7. Multi-responsive hybrid particles: thermo-, pH-, photo-, and magneto-responsive magnetic hydrogel cores with gold nanorod optical triggers

    NASA Astrophysics Data System (ADS)

    Rittikulsittichai, Supparesk; Kolhatkar, Arati G.; Sarangi, Subhasis; Vorontsova, Maria A.; Vekilov, Peter G.; Brazdeikis, Audrius; Randall Lee, T.

    2016-06-01

    The research strategy described in this manuscript harnesses the attractive properties of hydrogels, gold nanorods (Aurods), and magnetic nanoparticles (MNPs) by synthesizing one unique multi-responsive nanostructure. This novel hybrid structure consists of silica-coated magnetic particles encapsulated within a thermo-responsive P(NIPAM-co-AA) hydrogel network on which Aurods are assembled. Furthermore, this research demonstrates that these composite particles respond to several forms of external stimuli (temperature, pH, light, and/or applied magnetic field) owing to their specific architecture. Exposure of the hybrid particles to external stimuli led to a systematic and reversible variation in the hydrodynamic diameter (swelling-deswelling) and thus in the optical properties of the hybrid particles (red-shifting of the plasmon band). Such stimuli-responsive volume changes can be effectively exploited in drug-delivery applications.The research strategy described in this manuscript harnesses the attractive properties of hydrogels, gold nanorods (Aurods), and magnetic nanoparticles (MNPs) by synthesizing one unique multi-responsive nanostructure. This novel hybrid structure consists of silica-coated magnetic particles encapsulated within a thermo-responsive P(NIPAM-co-AA) hydrogel network on which Aurods are assembled. Furthermore, this research demonstrates that these composite particles respond to several forms of external stimuli (temperature, pH, light, and/or applied magnetic field) owing to their specific architecture. Exposure of the hybrid particles to external stimuli led to a systematic and reversible variation in the hydrodynamic diameter (swelling-deswelling) and thus in the optical properties of the hybrid particles (red-shifting of the plasmon band). Such stimuli-responsive volume changes can be effectively exploited in drug-delivery applications. Electronic supplementary information (ESI) available: Contains detailed information about the synthesis of

  8. Hybrid Effect on Whisker Orientation Dependence of Composite Strength of Aluminum Cast Alloy Reinforced by Al2O3 Whiskers and SiC Particles

    NASA Astrophysics Data System (ADS)

    Md, Rafiquzzaman; Arai, Yoshio

    The hybrid effect on the orientation dependence of the composite strength of an aluminum cast alloy reinforced by Al2O3 whiskers and SiC particles is studied experimentally and numerically. Two types of specimens are prepared for monotonic bending tests. The longitudinal specimen orientation (maximum stress direction) is parallel to or normal to randomly oriented whiskers in plane. The monotonic strength is 18% higher when the hybrid metal matrix composite (MMC) is subjected to an external load parallel to the random whisker orientation in plane than when the load is perpendicular to the whisker orientation. The whisker orientation dependence of composite strength in hybrid composite is weaker than that in whisker-reinforced composite. On the fracture surface of the specimen loaded along the direction parallel to the random whisker orientation in plane, most whiskers are broken while many de-bonded interfaces between the whiskers and matrix are observed on the fracture surface of the specimen loaded along the direction perpendicular to the whisker orientation. To characterize the hybrid effect on the whisker orientation dependence of composite strength, a three-dimensional hybrid composite unit cell model including one whisker and a few particles under a periodic boundary condition is developed using the finite element method. The hybrid composites have higher whisker stress than whisker-reinforced composite when subjected to an external load parallel to the whisker orientation if these composites have the same total volume fraction of reinforcement and the particles are distributed randomly. Under an external load perpendicular to the whisker orientation, the interface stress of hybrid composites is lower than that of whisker-reinforced composite. As a result, the strength difference for parallel and perpendicular loading conditions of the hybrid composites is smaller than that of whisker-reinforced composite. Thus, the weak whisker orientation effect in the

  9. Numerical simulation of Stokes flow around particles via a hybrid Finite Difference-Boundary Integral scheme

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Amitabh

    2013-11-01

    An efficient algorithm for simulating Stokes flow around particles is presented here, in which a second order Finite Difference method (FDM) is coupled to a Boundary Integral method (BIM). This method utilizes the strong points of FDM (i.e. localized stencil) and BIM (i.e. accurate representation of particle surface). Specifically, in each iteration, the flow field away from the particles is solved on a Cartesian FDM grid, while the traction on the particle surface (given the the velocity of the particle) is solved using BIM. The two schemes are coupled by matching the solution in an intermediate region between the particle and surrounding fluid. We validate this method by solving for flow around an array of cylinders, and find good agreement with Hasimoto's (J. Fluid Mech. 1959) analytical results.

  10. Graphene oxide and shape-controlled silver nanoparticle hybrids for ultrasensitive single-particle surface-enhanced Raman scattering (SERS) sensing

    NASA Astrophysics Data System (ADS)

    Fan, Wei; Lee, Yih Hong; Pedireddy, Srikanth; Zhang, Qi; Liu, Tianxi; Ling, Xing Yi

    2014-04-01

    Graphene oxide (GO) is an emerging material for surface-enhanced Raman scattering (SERS) due to its strong chemical enhancement. Studying the SERS performance of plasmonic nanoparticle/GO hybrid materials at the single particle level is crucial for direct probing of the chemical effect of GO on plasmonic nanoparticles. In this work, we integrate GO and shape-controlled Ag nanoparticles to create hybrid nanomaterials, and the chemical enhancement arising from GO is investigated using single-particle SERS measurements. Ag nanoparticle@GO hybrid nanostructures are prepared by assembling Ag nanoparticles, including spheres, cubes and octahedra with GO sheets. The SERS behaviors of the hybrid nanostructures are characterized, and 2-3 times enhanced SERS intensities are detected from the Ag nanoparticle@GO hybrid nanostructures as compared to pure Ag nanoparticles. Furthermore, we probe the mechanism of SERS enhancement in the hybrid nanostructures by changing the surface coverage of GO on Ag octahedra, by using reduced GO in place of GO as well as by using probe molecules of different electronegativities. This hybrid system is an excellent candidate for single-particle SERS sensors. Sub-nanomolar levels of aromatic molecules are detected using a single Ag/GO hybrid nanomaterial. This as-prepared GO and shape-controlled Ag nanoparticle hybrid is capable of serving as a high performance SERS platform, providing new opportunities for efficient chemical and biological sensing applications.Graphene oxide (GO) is an emerging material for surface-enhanced Raman scattering (SERS) due to its strong chemical enhancement. Studying the SERS performance of plasmonic nanoparticle/GO hybrid materials at the single particle level is crucial for direct probing of the chemical effect of GO on plasmonic nanoparticles. In this work, we integrate GO and shape-controlled Ag nanoparticles to create hybrid nanomaterials, and the chemical enhancement arising from GO is investigated using single-particle