Science.gov

Sample records for 1d hybrid simulations

  1. Hybrid Simulator

    SciTech Connect

    Trujillo, David J.; Sridharan, Srikesh; Weinstock, Irvin

    2005-10-15

    HybSim (short for Hybrid Simulator) is a flexible, easy to use screening tool that allows the user to quanti the technical and economic benefits of installing a village hybrid generating system and simulates systems with any combination of —Diesel generator sets —Photovoltaic arrays -Wind Turbines and -Battery energy storage systems Most village systems (or small population sites such as villages, remote military bases, small communities, independent or isolated buildings or centers) depend on diesel generation systems for their source of energy. HybSim allows the user to determine other "sources" of energy that can greatly reduce the dollar to kilo-watt hour ratio. Supported by the DOE, Energy Storage Program, HybSim was initially developed to help analyze the benefits of energy storage systems in Alaskan villages. Soon after its development, other sources of energy were added providing the user with a greater range of analysis opportunities and providing the village with potentially added savings. In addition to village systems, HybSim has generated interest for use from military institutions in energy provisions and USAID for international village analysis.

  2. 1D-3D hybrid modeling-from multi-compartment models to full resolution models in space and time.

    PubMed

    Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M; Queisser, Gillian

    2014-01-01

    Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator-which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to the

  3. 1D-3D hybrid modeling—from multi-compartment models to full resolution models in space and time

    PubMed Central

    Grein, Stephan; Stepniewski, Martin; Reiter, Sebastian; Knodel, Markus M.; Queisser, Gillian

    2014-01-01

    Investigation of cellular and network dynamics in the brain by means of modeling and simulation has evolved into a highly interdisciplinary field, that uses sophisticated modeling and simulation approaches to understand distinct areas of brain function. Depending on the underlying complexity, these models vary in their level of detail, in order to cope with the attached computational cost. Hence for large network simulations, single neurons are typically reduced to time-dependent signal processors, dismissing the spatial aspect of each cell. For single cell or networks with relatively small numbers of neurons, general purpose simulators allow for space and time-dependent simulations of electrical signal processing, based on the cable equation theory. An emerging field in Computational Neuroscience encompasses a new level of detail by incorporating the full three-dimensional morphology of cells and organelles into three-dimensional, space and time-dependent, simulations. While every approach has its advantages and limitations, such as computational cost, integrated and methods-spanning simulation approaches, depending on the network size could establish new ways to investigate the brain. In this paper we present a hybrid simulation approach, that makes use of reduced 1D-models using e.g., the NEURON simulator—which couples to fully resolved models for simulating cellular and sub-cellular dynamics, including the detailed three-dimensional morphology of neurons and organelles. In order to couple 1D- and 3D-simulations, we present a geometry-, membrane potential- and intracellular concentration mapping framework, with which graph- based morphologies, e.g., in the swc- or hoc-format, are mapped to full surface and volume representations of the neuron and computational data from 1D-simulations can be used as boundary conditions for full 3D simulations and vice versa. Thus, established models and data, based on general purpose 1D-simulators, can be directly coupled to

  4. Hyperbranched quasi-1D TiO2 nanostructure for hybrid organic-inorganic solar cells.

    PubMed

    Ghadirzadeh, Ali; Passoni, Luca; Grancini, Giulia; Terraneo, Giancarlo; Li Bassi, Andrea; Petrozza, Annamaria; Di Fonzo, Fabio

    2015-04-15

    The performance of hybrid solar cells is strongly affected by the device morphology. In this work, we demonstrate a poly(3-hexylthiophene-2,5-diyl)/TiO2 hybrid solar cell where the TiO2 photoanode comprises an array of tree-like hyperbranched quasi-1D nanostructures self-assembled from the gas phase. This advanced architecture enables us to increase the power conversion efficiency to over 1%, doubling the efficiency with respect to state of the art devices employing standard mesoporous titania photoanodes. This improvement is attributed to several peculiar features of this array of nanostructures: high interfacial area; increased optical density thanks to the enhanced light scattering; and enhanced crystallization of poly(3-hexylthiophene-2,5-diyl) inside the quasi-1D nanostructure.

  5. Development of a hybrid deterministic/stochastic method for 1D nuclear reactor kinetics

    SciTech Connect

    Terlizzi, Stefano; Dulla, Sandra; Ravetto, Piero; Rahnema, Farzad; Zhang, Dingkang

    2015-12-31

    A new method has been implemented for solving the time-dependent neutron transport equation efficiently and accurately. This is accomplished by coupling the hybrid stochastic-deterministic steady-state coarse-mesh radiation transport (COMET) method [1,2] with the new predictor-corrector quasi-static method (PCQM) developed at Politecnico di Torino [3]. In this paper, the coupled method is implemented and tested in 1D slab geometry.

  6. Hybrid Solar GHP Simulator

    SciTech Connect

    Yavuzturk, Cy; Chiasson, Andrew; Shonder, John

    2012-12-11

    This project provides an easy-to-use, menu-driven, software tool for designing hybrid solar-geothermal heat pump systems (GHP) for both heating- and cooling-dominated buildings. No such design tool currently exists. In heating-dominated buildings, the design approach takes advantage of glazed solar collectors to effectively balance the annual thermal loads on the ground with renewable solar energy. In cooling-dominated climates, the design approach takes advantage of relatively low-cost, unglazed solar collectors as the heat rejecting component. The primary benefit of hybrid GHPs is the reduced initial cost of the ground heat exchanger (GHX). Furthermore, solar thermal collectors can be used to balance the ground loads over the annual cycle, thus making the GHX fully sustainable; in heating-dominated buildings, the hybrid energy source (i.e., solar) is renewable, in contrast to a typical fossil fuel boiler or electric resistance as the hybrid component; in cooling-dominated buildings, use of unglazed solar collectors as a heat rejecter allows for passive heat rejection, in contrast to a cooling tower that consumes a significant amount of energy to operate, and hybrid GHPs can expand the market by allowing reduced GHX footprint in both heating- and cooling-dominated climates. The design tool allows for the straight-forward design of innovative GHP systems that currently pose a significant design challenge. The project lays the foundations for proper and reliable design of hybrid GHP systems, overcoming a series of difficult and cumbersome steps without the use of a system simulation approach, and without an automated optimization scheme. As new technologies and design concepts emerge, sophisticated design tools and methodologies must accompany them and be made usable for practitioners. Lack of reliable design tools results in reluctance of practitioners to implement more complex systems. A menu-driven software tool for the design of hybrid solar GHP systems is

  7. A fast hybrid (3-D/1-D) model for thermal radiative transfer in cirrus via successive orders of scattering

    NASA Astrophysics Data System (ADS)

    Fauchez, Thomas; Davis, Anthony B.; Cornet, Céline; Szczap, Fredéric; Platnick, Steven; Dubuisson, Philippe; Thieuleux, François

    2017-01-01

    We investigate the impact of cirrus cloud heterogeneity on the direct emission by cloud or surface and on the scattering by ice particles in the thermal infrared (TIR). Realistic 3-D cirri are modeled with the 3DCLOUD code, and top-of-atmosphere radiances are simulated by the 3-D Monte Carlo radiative transfer (RT) algorithm 3DMCPOL for two (8.65 μm and 12.05 μm) channels of the Imaging Infrared Radiometer on CALIPSO. At nadir, comparisons of 1-D and 3-D RT show that 3-D radiances are larger than their 1-D counterparts for direct emission but smaller for scattered radiation. For our cirrus cases, 99% of the 3-D total radiance is computed by the third scattering order, which corresponds to 90% of the total computational effort, but larger optical thicknesses need more scattering orders. To radically accelerate the 3-D RT computations (using only few percent of 3-D RT time with a Monte Carlo code), even in the presence of large optical depths, we develop a hybrid model based on exact 3-D direct emission, the first scattering order from 1-D in each homogenized column, and an empirical adjustment linearly dependent on the optical thickness to account for higher scattering orders. Good agreement is found between the hybrid model and the exact 3-D radiances for two very different cirrus models without changing the empirical parameters. We anticipate that a future deterministic implementation of the hybrid model will be fast enough to process multiangle thermal imagery in a practical tomographic reconstruction of 3-D cirrus fields.

  8. A Fast Hybrid (3-D/1-D) Model for Thermal Radiative Transfer in Cirrus via Successive Orders of Scattering

    NASA Technical Reports Server (NTRS)

    Fauchez, Thomas; Davis, Anthony B.; Cornet, Celine; Szczap, Frederic; Platnick, Steven; Dubuisson, Philippe; Thieuleux, Francois

    2017-01-01

    We investigate the impact of cirrus cloud heterogeneity on the direct emission by cloud or surface and on the scattering by ice particles in the thermal infrared (TIR). Realistic 3-D cirri are modeled with the 3DCLOUD code, and top-of-atmosphere radiances are simulated by the 3-D Monte Carlo radiative transfer (RT) algorithm 3DMCPOL for two (8.65 micrometers and 12.05 micrometers) channels of the Imaging Infrared Radiometer on CALIPSO. At nadir, comparisons of 1-D and 3-D RT show that 3-D radiances are larger than their 1-D counterparts for direct emission but smaller for scattered radiation. For our cirrus cases, 99% of the 3-D total radiance is computed by the third scattering order, which corresponds to 90% of the total computational effort, but larger optical thicknesses need more scattering orders. To radically accelerate the 3-D RT computations (using only few percent of 3-D RT time with a Monte Carlo code), even in the presence of large optical depths, we develop a hybrid model based on exact 3-D direct emission, the first scattering order from 1-D in each homogenized column, and an empirical adjustment linearly dependent on the optical thickness to account for higher scattering orders. Good agreement is found between the hybrid model and the exact 3-D radiances for two very different cirrus models without changing the empirical parameters. We anticipate that a future deterministic implementation of the hybrid model will be fast enough to process multiangle thermal imagery in a practical tomographic reconstruction of 3-D cirrus fields.

  9. Partical Simulation of Bounded 1D Plasma Systems

    NASA Astrophysics Data System (ADS)

    Lawson, William S.

    1989-02-01

    The physical and numerical problems of kinetic simulation of a bounded electrostatic plasma system in one planar dimension are examined, and solutions to them are presented. These problems include particle absorption, reflection and emission at boundaries, the solution of Poisson's equation under non-periodic boundary conditions, and the treatment of an external circuit connecting the boundaries. The methods which are described here are immlemented in a code named PDW1, which is available from Professor C. K. Birdsall, Plasma Theory and Simulation Group, Cory Hall, University of California, Berkeley, CA 94720.

  10. 1D quantum simulation using a solid state platform

    NASA Astrophysics Data System (ADS)

    Kirkendall, Megan; Irvin, Patrick; Huang, Mengchen; Levy, Jeremy; Lee, Hyungwoo; Eom, Chang-Beom

    Understanding the properties of large quantum systems can be challenging both theoretically and numerically. One experimental approach-quantum simulation-involves mapping a quantum system of interest onto a physical system that is programmable and experimentally accessible. A tremendous amount of work has been performed with quantum simulators formed from optical lattices; by contrast, solid-state platforms have had only limited success. Our experimental approach to quantum simulation takes advantage of nanoscale control of a metal-insulator transition at the interface between two insulating complex oxide materials. This system naturally exhibits a wide variety of ground states (e.g., ferromagnetic, superconducting) and can be configured into a variety of complex geometries. We will describe initial experiments that explore the magnetotransport properties of one-dimensional superlattices with spatial periods as small as 4 nm, comparable to the Fermi wavelength. The results demonstrate the potential of this solid-state quantum simulation approach, and also provide empirical constraints for physical models that describe the underlying oxide material properties. We gratefully acknowledge financial support from AFOSR (FA9550-12-1- 0057 (JL), FA9550-10-1-0524 (JL) and FA9550-12-1-0342 (CBE)), ONR N00014-15-1-2847 (JL), and NSF DMR-1234096 (CBE).

  11. Parametric Simulations of Slanted 1D Photonic Crystal Sensors.

    PubMed

    Breuer-Weil, Aaron; Almasoud, Naif Nasser; Abbasi, Badaruddin; Yetisen, Ali K; Yun, Seok-Hyun; Butt, Haider

    2016-12-01

    Photonic crystals and band gap materials act as manipulators of light and have a plethora of applications. They are made up of stacks of alternating dielectric constants. This article shows the simulations of an inclined, one dimensional and tuneble photonic crystal, using numerical finite element methods. The photonic crystal was made up of silver nanoparticles embedded in a hydrogel matrix and it has the ability to change and recover its periodicity. A series of factors concerning the geometry of the lattice were tested in order to analyze the efficiency, performance and optimize the properties of the optical sensor. These factors range from the size of the nanoparticles and their density within the stacks, to observing the effect of diffraction angle in readouts.

  12. Apoferritin fibers: a new template for 1D fluorescent hybrid nanostructures

    NASA Astrophysics Data System (ADS)

    Jurado, Rocío; Castello, Fabio; Bondia, Patricia; Casado, Santiago; Flors, Cristina; Cuesta, Rafael; Domínguez-Vera, José M.; Orte, Angel; Gálvez, Natividad

    2016-05-01

    Recently, research in the field of protein amyloid fibers has gained great attention due to the use of these materials as nanoscale templates for the construction of functional hybrid materials. The formation of apoferritin amyloid-like protein fibers is demonstrated herein for the first time. The morphology, size and stiffness of these one-dimensional structures are comparable to the fibers formed by β-lactoglobulin, a protein frequently used as a model in the study of amyloid-like fibrillar proteins. Nanometer-sized globular apoferritin is capable of self-assembling to form 1D micrometer-sized structures after being subjected to a heating process. Depending on the experimental conditions, fibers with different morphologies and sizes are obtained. The wire-like protein structure is rich in functional groups and allows chemical functionalization with diverse quantum dots (QD), as well as with different Alexa Fluor (AF) dyes, leading to hybrid fluorescent fibers with variable emission wavelengths, from green to near infrared, depending on the QD and AFs coupled. For fibers containing the pair AF488 and AF647, efficient fluorescence energy transfer from the covalently coupled donor (AF488) to acceptor tags (AF647) takes place. Apoferritin fibers are proposed here as a new promising template for obtaining hybrid functional materials.Recently, research in the field of protein amyloid fibers has gained great attention due to the use of these materials as nanoscale templates for the construction of functional hybrid materials. The formation of apoferritin amyloid-like protein fibers is demonstrated herein for the first time. The morphology, size and stiffness of these one-dimensional structures are comparable to the fibers formed by β-lactoglobulin, a protein frequently used as a model in the study of amyloid-like fibrillar proteins. Nanometer-sized globular apoferritin is capable of self-assembling to form 1D micrometer-sized structures after being subjected to a

  13. Hybrid Vehicle Simulation.

    DTIC Science & Technology

    1983-10-17

    Driving Sequence," Federal Register, 35(219): 17288-313 (10 November 1970). 7. "Electric Cars : Where Batteries Stand," Automotive Industry, 185(13): 81-83...Storage Systems, November 1979. 11. Hiroyuko, Imai. "Optimal Acceleration Performance and Storage Battery Voltage of an Electric Automobile Viewed from...ARE:,/35X, 16HNOMINAL VOLTAGE=, F4.0 C,/35X13HBATTERY MASS=,F5.0) C C ENTER HYBRID VARIABLES. FIRST CARD- 1 IF HYBRID,0 IF NOT. NEXT CAR C )IF IHYB=1

  14. Build up An Operational Flood Simulation from Existing 1D Channel Flow Works

    NASA Astrophysics Data System (ADS)

    Chang, Che-Hao; Hsu, Chih-Tsung; Wu, Shiang-Jen; Lien, Ho-Cheng; Shen, Jhih-Cyuan; Chung, Ming-Ko

    2016-04-01

    Several 2D flood simulations will be developed for urban area in recent years in Taiwan. Original ideas focus on the static flood maps produced by the 2D flood simulation with respect to design events, which could be useful no matter for planning or disaster awareness. However, an extra bonus is expected to see if we can reuse the 2D flood simulation framework for operational use or not. Such a project goal inspire us to setup a standard operation procedure before any progress from existing 1D channel flow works. 3 key issues are taken into account in the SOP: 1. High Resolution Terrain: A 1m resolution digital terrain model (DTM) is considered as a reference. The Channels and structures should be setup in 1D channel flow works if we can identify under such high resolution. One should examine the existing 1D channel flow works consistent with the DTM or not. 2. Meteo Stations Referenced: Real time precipitation would be send to referenced location in RR models during an operational forecast. Existing 1D channels flow works are usually specifically for design events which are not necessarily equipped with such references. 3. Time Consuming: A full scale 2D flood simulation needs a lot of computation resources. A solution should be derived within practical time limits. Under the above consideration, some impacts and procedures will be analyzed and developed to setup the SOP for further model modification.

  15. 1D and 2D simulations of seismic wave propagation in fractured media

    NASA Astrophysics Data System (ADS)

    Möller, Thomas; Friederich, Wolfgang

    2016-04-01

    Fractures and cracks have a significant influence on the propagation of seismic waves. Their presence causes reflections and scattering and makes the medium effectively anisotropic. We present a numerical approach to simulation of seismic waves in fractured media that does not require direct modelling of the fracture itself, but uses the concept of linear slip interfaces developed by Schoenberg (1980). This condition states that at an interface between two imperfectly bonded elastic media, stress is continuous across the interface while displacement is discontinuous. It is assumed that the jump of displacement is proportional to stress which implies a jump in particle velocity at the interface. We use this condition as a boundary condition to the elastic wave equation and solve this equation in the framework of a Nodal Discontinuous Galerkin scheme using a velocity-stress formulation. We use meshes with tetrahedral elements to discretise the medium. Each individual element face may be declared as a slip interface. Numerical fluxes have been derived by solving the 1D Riemann problem for slip interfaces with elastic and viscoelastic rheology. Viscoelasticity is realised either by a Kelvin-Voigt body or a Standard Linear Solid. These fluxes are not limited to 1D and can - with little modification - be used for simulations in higher dimensions as well. The Nodal Discontinuous Galerkin code "neXd" developed by Lambrecht (2013) is used as a basis for the numerical implementation of this concept. We present examples of simulations in 1D and 2D that illustrate the influence of fractures on the seismic wavefield. We demonstrate the accuracy of the simulation through comparison to an analytical solution in 1D.

  16. Quantum simulation of 2D topological physics in a 1D array of optical cavities.

    PubMed

    Luo, Xi-Wang; Zhou, Xingxiang; Li, Chuan-Feng; Xu, Jin-Shi; Guo, Guang-Can; Zhou, Zheng-Wei

    2015-07-06

    Orbital angular momentum of light is a fundamental optical degree of freedom characterized by unlimited number of available angular momentum states. Although this unique property has proved invaluable in diverse recent studies ranging from optical communication to quantum information, it has not been considered useful or even relevant for simulating nontrivial physics problems such as topological phenomena. Contrary to this misconception, we demonstrate the incredible value of orbital angular momentum of light for quantum simulation by showing theoretically how it allows to study a variety of important 2D topological physics in a 1D array of optical cavities. This application for orbital angular momentum of light not only reduces required physical resources but also increases feasible scale of simulation, and thus makes it possible to investigate important topics such as edge-state transport and topological phase transition in a small simulator ready for immediate experimental exploration.

  17. Study of the ion kinetic effects in ICF run-away burn using a quasi-1D hybrid model

    NASA Astrophysics Data System (ADS)

    Huang, C.-K.; Molvig, K.; Albright, B. J.; Dodd, E. S.; Vold, E. L.; Kagan, G.; Hoffman, N. M.

    2017-02-01

    The loss of fuel ions in the Gamow peak and other kinetic effects related to the α particles during ignition, run-away burn, and disassembly stages of an inertial confinement fusion D-T capsule are investigated with a quasi-1D hybrid volume ignition model that includes kinetic ions, fluid electrons, Planckian radiation photons, and a metallic pusher. The fuel ion loss due to the Knudsen effect at the fuel-pusher interface is accounted for by a local-loss model by Molvig et al. [Phys. Rev. Lett. 109, 095001 (2012)] with an albedo model for ions returning from the pusher wall. The tail refilling and relaxation of the fuel ion distribution are captured with a nonlinear Fokker-Planck solver. Alpha heating of the fuel ions is modeled kinetically while simple models for finite alpha range and electron heating are used. This dynamical model is benchmarked with a 3 T hydrodynamic burn model employing similar assumptions. For an energetic pusher (˜40 kJ) that compresses the fuel to an areal density of ˜1.07 g/cm 2 at ignition, the simulation shows that the Knudsen effect can substantially limit ion temperature rise in runaway burn. While the final yield decreases modestly from kinetic effects of the α particles, large reduction of the fuel reactivity during ignition and runaway burn may require a higher Knudsen loss rate compared to the rise time of the temperatures above ˜25 keV when the broad D-T Gamow peak merges into the bulk Maxwellian distribution.

  18. Nanoelectronic Modeling (NEMO): Moving from commercial grade 1-D simulation to prototype 3-D simulation

    NASA Astrophysics Data System (ADS)

    Klimeck, Gerhard

    2001-03-01

    The quantum mechanical functionality of commercially pursued heterostructure devices such as resonant tunneling diodes (RTDs), quantum well infrared photodetectors, and quantum well lasers are enabled by material variations on an atomic scale. The creation of these heterostructure devices is realized in a vast design space of material compositions, layer thicknesses and doping profiles. The full experimental exploration of this design space is unfeasible and a reliable design tool is needed. The Nanoelectronic Modeling tool (NEMO) is one of the first commercial grade attempts for such a modeling tool. NEMO was developed as a general-purpose quantum mechanics-based 1-D device design and analysis tool from 1993-97 by the Central Research Laboratory of Texas Instruments (later Raytheon Systems). NEMO enables(R. Lake, G. Klimeck, R. C. Bowen, and D. Jovanovic, J. Appl. Phys. 81), 7845 (1997). the fundamentally sound inclusion of the required(G. Klimeck et al.), in the 1997 55th Annual Device Research Conference Digest, (IEEE, NJ, 1997), p. 92^,(R. C. Bowen et al.), J. Appl. Phys 81, 3207 (1997). physics: bandstructure, scattering, and charge self-consistency based on the non-equilibrium Green function approach. A new class of devices which require full 3-D quantum mechanics based models is starting to emerge: quantum dots, or in general semiconductor based deca-nano devices. We are currently building a 3-D modeling tool based on NEMO to include the important physics to understand electronic stated in such superscaled structures. This presentation will overview various facets of the NEMO 1-D tool such electron transport physics in RTDs, numerical technology, software engineering and graphical user interface. The lessons learned from that work are now entering the NEMO 3-D development and first results using the NEMO 3-D prototype will be shown. More information about

  19. 1D GAS-DYNAMIC SIMULATION OF SHOCK-WAVE PROCESSES VIA INTERNET

    SciTech Connect

    Khishchenko, K. V.; Levashov, P. R.; Povarnitsyn, M. E.; Zakharenkov, A. S.

    2009-12-28

    We present a Web-interface for 1D simulation of different shock-wave experiments. The choosing of initial parameters, the modeling itself and output data treatment can be made directly via the Internet. The interface is based upon the expert system on shock-wave data and equations of state and contains both the Eulerian and Lagrangian Godunov hydrocodes. The availability of equations of state for a broad set of substances makes this system a useful tool for planning and interpretation of shock-wave experiments. As an example of simulation with the system, results of modeling of multistep shock loading of potassium between polytetrafluoroethylene and stainless steel plates are presented in comparison with experimental data from Shakhray et al.(2005).

  20. A hybrid metalloarsenate 3D framework-1D interrupted metal oxide.

    PubMed

    Hughes, Robert W; Gerrard, Lee A; Price, Daniel J; Weller, Mark T

    2003-06-30

    Complex metal arsenates of the stoichiometry M(1)(-)(x)()M'(6)(OH)(3)(AsO(4)H(2)(x)()(/3))(3)(HAsO(4)), M = M' = Co, Ni, have been synthesized under hydrothermal conditions. The two compounds display a very similar structural topology to that of the mineral dumortierite, an uncommon complex oxyborosilicate of aluminum. The hybrid structures consist of well separated, vacancy interrupted chains of face sharing MO(6) octahedra, with short M.M distances near 2.5 A, embedded in a metalloarsenate 3D framework having the topology of the aluminosilicate cancrinite. The framework also contains a quadruply bridging hydroxide ion. Magnetic susceptibility measurements reveal a strong antiferromagnetic interaction and magnetic transition to low temperature spin canted phases below 51 K (Co) and 42 K (Ni). The material may be considered as a zeotype framework structure templated by an interrupted one-dimensional metal oxide.

  1. Generation of Multiband Chorus in the Earth's Magnetosphere: 1-D PIC Simulation

    NASA Astrophysics Data System (ADS)

    Gao, Xinliang; Ke, Yangguang; Lu, Quanming; Chen, Lunjin; Wang, Shui

    2017-01-01

    Multiband chorus waves, where the frequency of upper band chorus is about twice that of lower band chorus, have recently been reported based on THEMIS observations. The generation of multiband chorus waves is attributed to the mechanism of lower band cascade, where upper band chorus is excited via the nonlinear coupling process between lower band chorus and the associated density mode with the frequency equal to that of lower band chorus. In this letter, with a one-dimensional (1-D) particle-in-cell (PIC) simulation model, we have successfully reproduced multiband chorus waves. During the simulation, the significant density fluctuation is driven by the fluctuating electric field along the wave vector of the pump wave (lower band chorus), which can be directly observed in this self-consistent plasma system. Then, the second harmonic of the pump whistler-mode wave (upper band chorus) is generated. After quantitatively analyzing resonant conditions among wave numbers, we can confirm that the generation is caused due to the coupling between the pump wave and the density fluctuation along its wave vector. The third harmonic can also be excited through lower band cascade if the pump whistler-mode wave has a sufficiently large amplitude. Our simulation results not only provide a theoretical support to the mechanism of lower band cascade to generate multiband chorus but also propose a new pattern of evolution for whistler-mode waves in the Earth's magnetosphere.

  2. Colliding Two Shocks: 1-D full Particle-in-Cell Simulation

    NASA Astrophysics Data System (ADS)

    Nakanotani, Masaru; Hada, T.; Matsukiyo, Shuichi; Mazelle, Christian

    2016-07-01

    Shock-shock interactions occur on various places in space and the interaction can produce high energy particles. A coronal mass ejection driven shock can collide with the Earth's bow shock [Hietala et al., 2011]. This study reported that ions are accelerated by the first Fermi acceleration between the two shocks before the collision. An electron acceleration through an interplanetary shock-Earth's bow shock interaction was also reported [Terasawa et al., 1997]. Shock-shock interactions can occur in astrophysical phenomena as well as in the heliosphere. For example, a young supernova shock can collide with the wind termination shock of a massive star if they are close to each other [Bykov et al., 2013]. Although hybrid simulations (ions and electrons treated as super-particles and mass-less fluid, respectively) were carried out to understand the kinetic nature of a shock-shock interaction [Cargill et al., 1986], hybrid simulations cannot resolve electron dynamics and non-thermal electrons. We, therefore, use one-dimensional full particle-in-cell (PIC) simulations to investigate a shock-shock interaction in which two shocks collide head-on. In a case of quasi-perpendicular shocks, electrons are accelerated by the mirror reflection between the two shocks before the collision (Fermi acceleration). On the other hand, because ions cannot go back upstream, the electron acceleration mechanism does not occur for ions. In a case of quasi-parallel shocks, ions can go back upstream and are accelerated at the shocks. The accelerated ions have great effect on the shock structure.

  3. High-Performance Supercapacitor Electrode Based on Cobalt Oxide-Manganese Dioxide-Nickel Oxide Ternary 1D Hybrid Nanotubes.

    PubMed

    Singh, Ashutosh K; Sarkar, Debasish; Karmakar, Keshab; Mandal, Kalyan; Khan, Gobinda Gopal

    2016-08-17

    We report a facile method to design Co3O4-MnO2-NiO ternary hybrid 1D nanotube arrays for their application as active material for high-performance supercapacitor electrodes. This as-prepared novel supercapacitor electrode can store charge as high as ∼2020 C/g (equivalent specific capacitance ∼2525 F/g) for a potential window of 0.8 V and has long cycle stability (nearly 80% specific capacitance retains after successive 5700 charge/discharge cycles), significantly high Coulombic efficiency, and fast response time (∼0.17s). The remarkable electrochemical performance of this unique electrode material is the outcome of its enormous reaction platform provided by its special nanostructure morphology and conglomeration of the electrochemical properties of three highly redox active materials in a single unit.

  4. Hybrid2 - The hybrid power system simulation model

    SciTech Connect

    Baring-Gould, E.I.; Green, H.J.; Dijk, V.A.P. van; Manwell, J.F.

    1996-12-31

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

  5. Hybrid2: The hybrid power system simulation model

    SciTech Connect

    Baring-Gould, E I; Green, H J; van Dijk, V A.P.; Manwell, J F

    1996-07-01

    There is a large-scale need and desire for energy in remote communities, especially in the developing world; however the lack of a user friendly, flexible performance prediction model for hybrid power systems incorporating renewables hindered the analysis of hybrids (including wind turbines, PV, diesel generators, AC/DC energy storage) as options to conventional solutions. A user friendly model was needed with the versatility to simulate the many system locations, widely varying hardware configurations, and differing control options for potential hybrid power systems. To meet these ends, NREL and U. Mass. researchers developed the Hybrid2 software. This paper provides an overview of the capabilities, features, and functionality of the Hybrid2 code, discusses its validation and future plans. Model availability and technical support provided to Hybrid2 users are also discussed.

  6. 1d Numerical Simulation of A Swiss Debris Flow: Comparison of Flow Laws

    NASA Astrophysics Data System (ADS)

    McArdell, B. W.; Graf, Ch.; Naef, D.; Rickenmann, D.

    Efforts to numerically model debris flows have been limited by a lack of appropriate numerical tools. Here we report on our efforts to systematically evaluate different flow laws using a numerical tool under development at our institute. The model, DFEM, is a finite element solution of the shallow water equations in one or two dimensions and is based on the FEMTOOL libraries from Rutschmann (1993). Debris flow constitu- tive relations or flow laws include turbulent (e.g. Manning, Chézy, Voellmy), laminar (Bingham, Newtonian laminar), and inertial formulations (dilatant/grain shearing) as well as combinations of flow laws when appropriate. The model is applied to a recent debris flow event from the Schipfenbach torrent, Switzerland (Hürlimann, submitted), where we maintain an automated debris flow observation station. Observations include flow depth measurements from ultrasonic depth measurement devices, reach-averaged velocities estimated from the travel time between ultrasonic gages and geophones, velocity and flow behavior from video cam- eras situated near the flow retention basin on the fan, and post-event field surveys. Preliminary results suggest that the flow of debris in the steep reaches of the torrent channel can be reasonably described by a simple turbulent flow law (e.g. Manning- Strickler or Chézy) with a large overall flow resistance, and that both the flow in the channel and the deposition on the fan can be satisfactorily simulated using the Voellmy fluid approach. The results using the Voellmy fluid approach are in agree- ment with results calculated from the AVAL-1D snow avalanche simulation code and input parameters for debris instead of snow, corroborating the implementation in the DFEM model. The AVAL-1D code is commercially available, providing another tool that may be used by workers in the natural hazards field for debris flow routing in torrent channels and on alluvial fans. References: Hürlimann, M., Rickenmann, D. and Graf, Ch., Field

  7. Specifications of ZnO growth for heterostructure solar cell and PC1D based simulations

    PubMed Central

    Hussain, Babar; Ebong, Abasifreke

    2015-01-01

    This data article is related to our recently published article (Hussain et al., in press [1]) where we have proposed a new solar cell model based on n-ZnO as front layer and p-Si as rear region. The ZnO layer will act as an active n-layer as well as antireflection (AR) coating saving considerable processing cost. There are several reports presenting use of ZnO as window/antireflection coating in solar cells (Mansoor et al., 2015; Haq et al., 2014; Hussain et al., 2014; Matsui et al., 2014; Ding et al., 2014 [2], [3], [4], [5], [6]) but, here, we provide data specifically related to simultaneous use of ZnO as n-layer and AR coating. Apart from the information we already published, we provide additional data related to growth of ZnO (with and without Ga incorporation) layers using MOCVD. The data related to PC1D based simulation of internal and external quantum efficiencies with and without antireflection effects of ZnO as well as the effects of doping level in p-Si on current–voltage characteristics have been provided. PMID:26587557

  8. Specifications of ZnO growth for heterostructure solar cell and PC1D based simulations.

    PubMed

    Hussain, Babar; Ebong, Abasifreke

    2015-12-01

    This data article is related to our recently published article (Hussain et al., in press [1]) where we have proposed a new solar cell model based on n-ZnO as front layer and p-Si as rear region. The ZnO layer will act as an active n-layer as well as antireflection (AR) coating saving considerable processing cost. There are several reports presenting use of ZnO as window/antireflection coating in solar cells (Mansoor et al., 2015; Haq et al., 2014; Hussain et al., 2014; Matsui et al., 2014; Ding et al., 2014 [2], [3], [4], [5], [6]) but, here, we provide data specifically related to simultaneous use of ZnO as n-layer and AR coating. Apart from the information we already published, we provide additional data related to growth of ZnO (with and without Ga incorporation) layers using MOCVD. The data related to PC1D based simulation of internal and external quantum efficiencies with and without antireflection effects of ZnO as well as the effects of doping level in p-Si on current-voltage characteristics have been provided.

  9. 1D simulation of runaway electrons generation in pulsed high-pressure gas discharge

    NASA Astrophysics Data System (ADS)

    Kozhevnikov, V. Yu.; Kozyrev, A. V.; Semeniuk, N. S.

    2015-10-01

    The results of theoretical modelling of runaway electron generation in the high-pressure nanosecond pulsed gas discharge are presented. A novel hybrid model of gas discharge has been successfully built. Hydrodynamic and kinetic approaches are used simultaneously to describe the dynamics of different components of low-temperature discharge plasma. To consider motion of ions and low-energy (plasma) electrons the corresponding equations of continuity with drift-diffusion approximation are used. To describe high-energy (runaway) electrons the Boltzmann kinetic equation is included. As a result of the simulation we obtained spatial and temporal distributions of charged particles and electric field in a pulsed discharge. Furthermore, the energy spectra calculated runaway electrons in different cross-sections, particularly, the discharge gap in the anode plane. It is shown that the average energy of fast electrons (in eV) in the anode plane is usually slightly higher than the instantaneous value of the applied voltage to the gap (in V).

  10. A 1D plug flow reactor as validation tool for reactive transport simulations

    NASA Astrophysics Data System (ADS)

    Battaïa, G.; Garcia, D.

    2012-04-01

    Predictions in CO2 geological sequestration involve a broad range of earth sciences linked in complex models. Amongst the processes commonly described, fluid-rock interactions are both a central issue and a source of discomfort for modelers since it has to deal with 1) kinetics data obtained through experimental procedures that dramatically differ from natural systems and 2) reactive surface model that are very diverse and often empirical. This study presents a new type of plug flow reactor developed to provide an experimental validation of reactive transport simulations. This is a 1D pressurized packed-bed plug-flow reactor containing a granular mixture as a porous medium. This mixture is composed of a reactive solids and unreactive quartz used to set an adequate ratio between fluid and reactive mineral to control the front velocity. A seven sampling valve unit allows concentration profiles of the reacting fluid to be captured at any time. One the one side, a low reaction rate (diopside, HNO3, pH 2) produces linear profile resulting from a constant dissolution rate along the reactor length. But on the other side, when performing the reaction of CO2 saturated solutions (5 bar) at 40°C with dolomite it gives rise to dissolution fronts migrating downstream. A proper projection of experimental data reveals a dynamic steady state of front shape is reached. Texture of the mineral recovered at the end of the experiment is quantified by Hg-porosimetry and these results are linked to SEM observations. Altogether, this provides a robust way for the parameterization of a reactive surface area model.

  11. Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

    NASA Astrophysics Data System (ADS)

    Collins, Benjamin; Stimpson, Shane; Kelley, Blake W.; Young, Mitchell T. H.; Kochunas, Brendan; Graham, Aaron; Larsen, Edward W.; Downar, Thomas; Godfrey, Andrew

    2016-12-01

    A consistent "2D/1D" neutron transport method is derived from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. This paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. Several applications have been performed on both leadership-class and industry-class computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.

  12. GIS-based channel flow and sediment transport simulation using CCHE1D coupled with AnnAGNPS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    CCHE1D (Center for Computational Hydroscience and Engineering 1-Dimensional model) simulates unsteady free-surface flows with nonequilibrium, nonuniform sediment transport in dendritic channel networks. Since early 1990’s, the model and its software packages have been developed and continuously main...

  13. Formation of a Nonlinear Optical Host-Guest Hybrid Material by Tight Confinement of LDS 722 into Aluminophosphate 1D Nanochannels.

    PubMed

    Sola-Llano, Rebeca; Martínez-Martínez, Virginia; Fujita, Yasuhiko; Gómez-Hortigüela, Luis; Alfayate, Almudena; Uji-I, Hiroshi; Fron, Eduard; Pérez-Pariente, Joaquín; López-Arbeloa, Iñigo

    2016-10-24

    In this work, hemicyanine dye LDS 722 is encapsulated into the 1D elliptical nanochannels of MgAPO-11 aluminophosphate by a crystallization inclusion method. The synthesis of the hybrid material has been optimized through a systematic variation of the crystallization conditions in order to obtain pure and large crystals (around 20 μm×30 μm) suitable for optical applications. The tight fitting between the molecular size of the guest dye and the pore dimensions of the host has favored a rigid planar conformation of the dye, restricting its inherent flexibility, which is confirmed by molecular simulations. Consequently, the encapsulation of LDS 722 into MgAPO-11 has led to an astonishing enhancement of the fluorescence with respect to the dye into MgAPO-5, with slightly larger cylindrical channels, and with respect to the dye in solution. Moreover, the perfect alignment of LDS 722 (dye with intrinsic nonlinear-optical properties) along the channels of MgAPO-11 has revealed attractive second-order nonlinear properties, such as second harmonic generation, proven through microscopy measurements in single crystals.

  14. Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

    DOE PAGES

    Collins, Benjamin; Stimpson, Shane; Kelley, Blake W.; ...

    2016-08-25

    We derived a consistent “2D/1D” neutron transport method from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. Our paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. We also performed several applications on both leadership-class and industry-classmore » computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.« less

  15. Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

    SciTech Connect

    Collins, Benjamin; Stimpson, Shane; Kelley, Blake W.; Young, Mitchell T. H.; Kochunas, Brendan; Graham, Aaron; Larsen, Edward W.; Downar, Thomas; Godfrey, Andrew

    2016-08-25

    We derived a consistent “2D/1D” neutron transport method from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. Our paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. We also performed several applications on both leadership-class and industry-class computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.

  16. A New Sythetic Hybrid (A1D5) between Gossypium herbaceum and G. raimondii and Its Morphological, Cytogenetic, Molecular Characterization

    PubMed Central

    Zhu, Shuijin; Zhang, Lufei; Li, Lingjiao

    2017-01-01

    The diploid species G. herbaceum (A1) and G. raimondii (D5) are the progenitors of allotetraploid cotton, respectively. However, hybrids between G. herbaceum and G. raimondii haven’t been reported. In the present study, hybridization between G. herbaceum and G. raimondii was explored. Morphological, cytogenetic and molecular analyses were used to assess the hybridity. The interspecific hybrid plants were successfully obtained. Most of the morphological characteristics of the hybrids were intermediate between G. herbaceum and G. raimondii. However, the color of glands, anther cases, pollen and corolla, and the state of bracteoles in hybrids were associated with the G. herbaceum. The color of staminal columns and filaments in hybrids were associated with G. raimondii. Cytogenetic analysis confirmed abnormal meiotic behavior existed in hybrids. The hybrids couldn’t produce boll-set. Simple sequence repeat results found that besides the fragments inherited from the two parents, some novel bands were amplified in hybrids, indicating that potential mutations and chromosomal recombination occurred between parental genomes during hybridization. These results may provide some novel insights in speciation, genome interaction, and evolution of the tetraploid cotton species. PMID:28187145

  17. Simulations of Edge Effect in 1D Spin Crossover Compounds by Atom-Phonon Coupling Model

    NASA Astrophysics Data System (ADS)

    Linares, J.; Chiruta, D.; Jureschi, C. M.; Alayli, Y.; Turcu, C. O.; Dahoo, P. R.

    2016-08-01

    We used the atom-phonon coupling model to explain and illustrate the behaviour of a linear nano-chain of molecules. The analysis of the system's behaviour was performed using Free Energy method, and by applying Monte Carlo Metropolis (MCM) method which take into account the phonon contribution. In particular we tested both the MCM algorithm and the dynamic-matrix method and we expose how the thermal behaviour of a 1D spin crossover system varies as a function of different factors. Furthermore we blocked the edge atoms of the chain in its high spin state to study the effect on the system's behaviour.

  18. Simulation and optimization of 1-D periodic dielectric nanostructures for light-trapping.

    PubMed

    Wang, Peng; Menon, Rajesh

    2012-01-16

    Light-trapping is essential to improve the performance of thin-film solar cells. In this paper, we perform a parametric optimization of 1-D square and sinusoidal grating structures that act as nanophotonic scatterers to increase light absorption in ultra-thin (10nm) solar cells. Our optimization reveals that the short-circuit current density in a device of active-layer thickness 10nm can be improved by a factor of ~5 in the presence of the scattering structure. More complex geometries allow for increased degrees of design freedom and potentially high enhancement of light absorption.

  19. NASA One-Dimensional Combustor Simulation--User Manual for S1D_ML

    NASA Technical Reports Server (NTRS)

    Stueber, Thomas J.; Paxson, Daniel E.

    2014-01-01

    The work presented in this paper is to promote research leading to a closed-loop control system to actively suppress thermo-acoustic instabilities. To serve as a model for such a closed-loop control system, a one-dimensional combustor simulation composed using MATLAB software tools has been written. This MATLAB based process is similar to a precursor one-dimensional combustor simulation that was formatted as FORTRAN 77 source code. The previous simulation process requires modification to the FORTRAN 77 source code, compiling, and linking when creating a new combustor simulation executable file. The MATLAB based simulation does not require making changes to the source code, recompiling, or linking. Furthermore, the MATLAB based simulation can be run from script files within the MATLAB environment or with a compiled copy of the executable file running in the Command Prompt window without requiring a licensed copy of MATLAB. This report presents a general simulation overview. Details regarding how to setup and initiate a simulation are also presented. Finally, the post-processing section describes the two types of files created while running the simulation and it also includes simulation results for a default simulation included with the source code.

  20. Reducing the number of parameters in 1D arterial blood flow modeling: less is more for patient-specific simulations.

    PubMed

    Epstein, Sally; Willemet, Marie; Chowienczyk, Phil J; Alastruey, Jordi

    2015-07-01

    Patient-specific one-dimensional (1D) blood flow modeling requires estimating model parameters from available clinical data, ideally acquired noninvasively. The larger the number of arterial segments in a distributed 1D model, the greater the number of input parameters that need to be estimated. We investigated the effect of a reduction in the number of arterial segments in a given distributed 1D model on the shape of the simulated pressure and flow waveforms. This is achieved by systematically lumping peripheral 1D model branches into windkessel models that preserve the net resistance and total compliance of the original model. We applied our methodology to a model of the 55 larger systemic arteries in the human and to an extended 67-artery model that contains the digital arteries that perfuse the fingers. Results show good agreement in the shape of the aortic and digital waveforms between the original 55-artery (67-artery) and reduced 21-artery (37-artery) models. Reducing the number of segments also enables us to investigate the effect of arterial network topology (and hence reflection sites) on the shape of waveforms. Results show that wave reflections in the thoracic aorta and renal arteries play an important role in shaping the aortic pressure and flow waves and in generating the second peak of the digital pressure and flow waves. Our novel methodology is important to simplify the computational domain while maintaining the precision of the numerical predictions and to assess the effect of wave reflections.

  1. Comparison of 1D stagnation solutions to 3D wire-array Z pinch simulations in absence of radiation

    NASA Astrophysics Data System (ADS)

    Yu, Edmund; Velikovich, Alexander; Maron, Yitzhak

    2013-10-01

    In the idealized picture of a Z pinch, a cylindrically symmetric plasma shell implodes towards axis. In this 1D (radial) picture, the resulting stagnation is very efficient: all the kinetic energy of the shell converts to internal energy, as for instance in the Noh shock solution or the homogeneous stagnation flow. If we generalize the problem to 2D by deforming the shell from perfectly circular to oblate, the resulting stagnation will not be as efficient. As in the Hiemenz flow, in which a jet of fluid strikes a rigid flat boundary and squirts out to the sides, the more complicated flows allowed in 2D allow flow kinetic energy to redirect rather than stagnate. With this picture in mind, we might expect the stagnation of a wire-array Z pinch, which in actuality forms a highly distorted 3D imploding plasma, to dissipate its kinetic energy inefficiently due to the lack of symmetry, and be indescribable by means of the idealized 1D stagnation solutions. On the other hand, one might expect that if the imploding plasma is sufficiently messy, the non-uniformities might ``wash out,'' allowing a quasi-1D description of the averaged quantities of plasma. In this work we explore this idea, comparing predictions of 1D stagnation solutions with 3D simulation. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC0 4-94AL85000.

  2. Reducing the number of parameters in 1D arterial blood flow modeling: less is more for patient-specific simulations

    PubMed Central

    Epstein, Sally; Willemet, Marie; Chowienczyk, Phil J.

    2015-01-01

    Patient-specific one-dimensional (1D) blood flow modeling requires estimating model parameters from available clinical data, ideally acquired noninvasively. The larger the number of arterial segments in a distributed 1D model, the greater the number of input parameters that need to be estimated. We investigated the effect of a reduction in the number of arterial segments in a given distributed 1D model on the shape of the simulated pressure and flow waveforms. This is achieved by systematically lumping peripheral 1D model branches into windkessel models that preserve the net resistance and total compliance of the original model. We applied our methodology to a model of the 55 larger systemic arteries in the human and to an extended 67-artery model that contains the digital arteries that perfuse the fingers. Results show good agreement in the shape of the aortic and digital waveforms between the original 55-artery (67-artery) and reduced 21-artery (37-artery) models. Reducing the number of segments also enables us to investigate the effect of arterial network topology (and hence reflection sites) on the shape of waveforms. Results show that wave reflections in the thoracic aorta and renal arteries play an important role in shaping the aortic pressure and flow waves and in generating the second peak of the digital pressure and flow waves. Our novel methodology is important to simplify the computational domain while maintaining the precision of the numerical predictions and to assess the effect of wave reflections. PMID:25888513

  3. Optimizing physical parameters in 1-D particle-in-cell simulations with Python

    NASA Astrophysics Data System (ADS)

    Ragan-Kelley, Benjamin; Verboncoeur, John P.; Lin, Ming-Chieh

    2014-10-01

    A particle-in-cell (PIC) simulation tool, OOPD1, is wrapped in the Python programming language, enabling automated algorithmic optimization of physical and numerical parameters. The Python-based environment exposes internal variables, enabling modification of simulation parameters, as well as run-time generation of new diagnostics based on calculations with internal data. For problems requiring an iterative optimization approach, this enables a programmable interactive feedback loop style simulation model, where the input to one simulation is a programmable function of the output of the previous one. This approach is applied to field-emission of electrons in a diode, in order to explore space charge effects in bipolar flow. We find an analytical solution for maximizing the space-charge limited current through a diode with an upstream ion current, and confirm the result with simulations, demonstrating the efficacy of the feedback scheme. We also demonstrate and analyze a modeling approach for scaling the ion mass, which can shorten simulation time without changing the ultimate result. The methods presented can be generalized to handle other applications where it is desirable to evolve simulation parameters based on algorithmic results from the simulation, including models in which physical or numerical parameter tuning is used to converge or optimize a system in one or more variables.

  4. Understanding the Rayleigh-Taylor instability through 1D and 3D simulations

    NASA Astrophysics Data System (ADS)

    Mikhaeil, Mark; Denissen, Nicholas; Ranjan, Devesh

    2015-11-01

    A series of Rayleigh-Taylor instability numerical simulations were completed using the Arbitrary Lagrangian-Eulerian hydrocode FLAG developed at Los Alamos National Laboratory. One-dimensional simulations employed a Reynolds-averaged Navier-Stokes approach with turbulence closure models selected from the Besnard-Harlow-Rauenzahn family of models. Growth rate parameters and turbulence statistics are derived from these simulations and compared between closure models. Variations from experimental results are explored and used to validate the models. The effect of density ratio on the bubble-spike growth rate asymmetry is also investigated. High resolution three-dimensional large eddy simulations (LES) are also completed and presented. LES were initialized using a multi-modal perturbation prescribed from experimental data collected at the Georgia Institute of Technology multi-layer Gas Tunnel facility. Turbulence statistics are gathered by averaging many simulations started with different initial conditions. Late time development is compared to Gas Tunnel experimental results and previous LES.

  5. TRNSYS HYBRID wind diesel PV simulator

    SciTech Connect

    Quinlan, P.J.A.; Mitchell, J.W.; Klein, S.A.; Beckman, W.A.; Blair, N.J.

    1996-12-31

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

  6. Spatially branched hierarchical ZnO nanorod-TiO2 nanotube array heterostructures for versatile photocatalytic and photoelectrocatalytic applications: towards intimate integration of 1D-1D hybrid nanostructures

    NASA Astrophysics Data System (ADS)

    Xiao, Fang-Xing; Hung, Sung-Fu; Tao, Hua Bing; Miao, Jianwei; Yang, Hong Bin; Liu, Bin

    2014-11-01

    Hierarchically ordered ZnO nanorods (NRs) decorated nanoporous-layer-covered TiO2 nanotube array (ZnO NRs/NP-TNTAs) nanocomposites have been prepared by an efficient, two-step anodization route combined with an electrochemical deposition strategy, by which monodispersed one-dimensional (1D) ZnO NRs were uniformly grown on the framework of NP-TNTAs. The crystal phases, morphologies, optical properties, photocatalytic as well as photoelectrocatalytic performances of the well-defined ZnO NRs/NP-TNTAs heterostructures were systematically explored to clarify the structure-property correlation. It was found that the ZnO NRs/NP-TNTAs heterostructure exhibits significantly enhanced photocatalytic and photoelectrocatalytic performances, along with favorable photostability toward degradation of organic pollutants under UV light irradiation, as compared to the single component counterparts. The remarkably enhanced photoactivity of ZnO NRs/NP-TNTAs heterostructure is ascribed to the intimate interfacial integration between ZnO NRs and NP-TNTAs substrate imparted by the unique spatially branched hierarchical structure, thereby contributing to the efficient transfer and separation of photogenerated electron-hole charge carriers. Moreover, the specific active species during the photocatalytic process was unambiguously determined and photocatalytic mechanism was tentatively presented. It is anticipated that our work could provide new insights for the construction of various hierarchical 1D-1D hybrid nanocomposites for extensive photocatalytic applications.Hierarchically ordered ZnO nanorods (NRs) decorated nanoporous-layer-covered TiO2 nanotube array (ZnO NRs/NP-TNTAs) nanocomposites have been prepared by an efficient, two-step anodization route combined with an electrochemical deposition strategy, by which monodispersed one-dimensional (1D) ZnO NRs were uniformly grown on the framework of NP-TNTAs. The crystal phases, morphologies, optical properties, photocatalytic as well as

  7. A hybrid simulation incorporating multiple modulation techniques

    NASA Astrophysics Data System (ADS)

    Gardner, C. R.

    A hybrid simulation developed for comparison and analysis of several diverse modulation techniques is described. The inherent purpose of the simulation is to provide a highly versatile model of a LOS digital transceiver. When coupled with band spectral limiting and a LOS channel model, the combination provides a highly effective tool for performance appraisal of most state-of-the-art digital modulation techniques presently employed in LOS microwave communications. User selectable modulation schemes include Quadrature Partial Response (QPR), Quadrature Amplitude Modulation (QAM), Phase Shift Keying (PSK), and Minimum Shift Keying (MSK) at applicably variable modulation levels and bit rates. A brief description of each modulation technique is presented along with specific requirements for integration into a hybrid simulated digital transceiver.

  8. Ion velocity distribution at the termination shock: 1-D PIC simulation

    SciTech Connect

    Lu Quanming; Yang Zhongwei; Lembege, Bertrand

    2012-11-20

    The Voyager 2 (V2) plasma observations of the proton temperature downstream of the quasi-perpendicular heliospheric termination shock (TS) showed that upstream thermal solar wind ions played little role in the shock dissipation mechanism and their downstream temperature is an order of magnitude smaller than predicted by MHD Rankine-Hugoniot conditions. While pickup ions (PUI) are generally expected to play an important role in energy dissipation at the shock, the details remain unclear. Here, one-dimensional (1-D) Particle-in-cell (PIC) code is used to examine kinetic properties and downstream velocity distribution functions of pickup ions (the hot supra-thermal component) and solar wind protons (SWs, the cold component) at the perpendicular heliospheric termination shock. The code treats the pickup ions self-consistently as a third component. Present results show that: (1) both of the incident SWs and PUIs can be separated into two parts: reflected (R) ions and directly transmitted (DT) ions, the energy gain of the R ions at the shock front is much larger than that of the DT ions; (2) the fraction of reflected SWs and their downstream temperature decrease with the relative percentage PUI%; (3) no matter how large the PUI% is, the downstream ion velocity distribution function always can be separated into three parts: 1. a high energy tail (i.e. the wings) dominated by the reflected PUIs, 2. a low energy core mainly contributed by the directly transmitted SWs, and 3. a middle energy part which is a complicated superposition of reflected SWs and directly transmitted PUIs. The significance of the presence of pickup ions on shock front micro-structure and nonstationarity is also discussed.

  9. Dynamic Simulation of 1D Cellular Automata in the Active aTAM.

    PubMed

    Jonoska, Nataša; Karpenko, Daria; Seki, Shinnosuke

    2015-07-01

    The Active aTAM is a tile based model for self-assembly where tiles are able to transfer signals and change identities according to the signals received. We extend Active aTAM to include deactivation signals and thereby allow detachment of tiles. We show that the model allows a dynamic simulation of cellular automata with assemblies that do not record the entire computational history but only the current updates of the states, and thus provide a way for (a) algorithmic dynamical structural changes in the assembly and (b) reusable space in self-assembly. The simulation is such that at a given location the sequence of tiles that attach and detach corresponds precisely to the sequence of states the synchronous cellular automaton generates at that location.

  10. Dynamic Simulation of 1D Cellular Automata in the Active aTAM

    PubMed Central

    Jonoska, Nataša; Karpenko, Daria; Seki, Shinnosuke

    2016-01-01

    The Active aTAM is a tile based model for self-assembly where tiles are able to transfer signals and change identities according to the signals received. We extend Active aTAM to include deactivation signals and thereby allow detachment of tiles. We show that the model allows a dynamic simulation of cellular automata with assemblies that do not record the entire computational history but only the current updates of the states, and thus provide a way for (a) algorithmic dynamical structural changes in the assembly and (b) reusable space in self-assembly. The simulation is such that at a given location the sequence of tiles that attach and detach corresponds precisely to the sequence of states the synchronous cellular automaton generates at that location. PMID:27789918

  11. Impact of sea spray on upper ocean temperature during typhoon passage: simulation with a 1-D turbulent model

    NASA Astrophysics Data System (ADS)

    Zhang, Lianxin; Zhang, Xuefeng; Han, Guijun; Wu, Xinrong; Cui, Xiaojian; Shao, Caixia; Sun, Chunjian; Zhang, Xiaoshuang; Wang, Xidong; Fu, Hongli

    2015-09-01

    At the interface between the lower atmosphere and sea surface, sea spray might significantly influence air-sea heat fluxes and subsequently, modulate upper ocean temperature during a typhoon passage. The effects of sea spray were introduced into the parameterization of sea surface roughness in a 1-D turbulent model, to investigate the effects of sea spray on upper ocean temperature in the Kuroshio Extension area, for the cases of two real typhoons from 2006, Yagi and Soulik. Model output was compared with data from the Kuroshio Extension Observatory (KEO), and Reynolds and AMSRE satellite remote sensing sea surface temperatures. The results indicate drag coefficients that include the spray effect are closer to observations than those without, and that sea spray can enhance the heat fluxes (especially latent heat flux) considerably during a typhoon passage. Consequently, the model results with heat fluxes enhanced by sea spray simulate better the cooling process of the SST and upper-layer temperature profiles. Additionally, results from the simulation of the passage of typhoon Soulik (that passed KEO quickly), which included the sea spray effect, were better than for the simulated passage of typhoon Yagi (that crossed KEO slowly). These promising 1-D results could provide insight into the application of sea spray in general circulation models for typhoon studies.

  12. Unambiguous metabolite identification in high-throughput metabolomics by hybrid 1D 1 H NMR/ESI MS 1 approach: Hybrid 1D 1 H NMR/ESI MS 1 metabolomics method

    SciTech Connect

    Walker, Lawrence R.; Hoyt, David W.; Walker, S. Michael; Ward, Joy K.; Nicora, Carrie D.; Bingol, Kerem

    2016-09-16

    We present a novel approach to improve accuracy of metabolite identification by combining direct infusion ESI MS1 with 1D 1H NMR spectroscopy. The new approach first applies standard 1D 1H NMR metabolite identification protocol by matching the chemical shift, J-coupling and intensity information of experimental NMR signals against the NMR signals of standard metabolites in metabolomics library. This generates a list of candidate metabolites. The list contains false positive and ambiguous identifications. Next, we constrained the list with the chemical formulas derived from high-resolution direct infusion ESI MS1 spectrum of the same sample. Detection of the signals of a metabolite both in NMR and MS significantly improves the confidence of identification and eliminates false positive identification. 1D 1H NMR and direct infusion ESI MS1 spectra of a sample can be acquired in parallel in several minutes. This is highly beneficial for rapid and accurate screening of hundreds of samples in high-throughput metabolomics studies. In order to make this approach practical, we developed a software tool, which is integrated to Chenomx NMR Suite. The approach is demonstrated on a model mixture, tomato and Arabidopsis thaliana metabolite extracts, and human urine.

  13. Electrophysiological and Structural Remodeling in Heart Failure Modulate Arrhythmogenesis. 1D Simulation Study

    PubMed Central

    Gomez, Juan F.; Cardona, Karen; Romero, Lucia; Ferrero, Jose M.; Trenor, Beatriz

    2014-01-01

    Background Heart failure is a final common pathway or descriptor for various cardiac pathologies. It is associated with sudden cardiac death, which is frequently caused by ventricular arrhythmias. Electrophysiological remodeling, intercellular uncoupling, fibrosis and autonomic imbalance have been identified as major arrhythmogenic factors in heart failure etiology and progression. Objective In this study we investigate in silico the role of electrophysiological and structural heart failure remodeling on the modulation of key elements of the arrhythmogenic substrate, i.e., electrophysiological gradients and abnormal impulse propagation. Methods Two different mathematical models of the human ventricular action potential were used to formulate models of the failing ventricular myocyte. This provided the basis for simulations of the electrical activity within a transmural ventricular strand. Our main goal was to elucidate the roles of electrophysiological and structural remodeling in setting the stage for malignant life-threatening arrhythmias. Results Simulation results illustrate how the presence of M cells and heterogeneous electrophysiological remodeling in the human failing ventricle modulate the dispersion of action potential duration and repolarization time. Specifically, selective heterogeneous remodeling of expression levels for the Na+/Ca2+ exchanger and SERCA pump decrease these heterogeneities. In contrast, fibroblast proliferation and cellular uncoupling both strongly increase repolarization heterogeneities. Conduction velocity and the safety factor for conduction are also reduced by the progressive structural remodeling during heart failure. Conclusion An extensive literature now establishes that in human ventricle, as heart failure progresses, gradients for repolarization are changed significantly by protein specific electrophysiological remodeling (either homogeneous or heterogeneous). Our simulations illustrate and provide new insights into this

  14. 1D PIC-DSMC simulations of breakdown in microscale gaps

    NASA Astrophysics Data System (ADS)

    Moore, Chris H.; Hopkins, Matthew M.; Crozier, Paul S.; Boerner, Jeremiah J.; Musson, Lawrence C.; Hooper, Russell W.; Bettencourt, Matthew T.

    2012-11-01

    An explicit electrostatic particle-in-cell (PIC) code with complex boundary conditions and direct simulation Monte Carlo (DSMC) particle collisions is utilized to investigate one dimensional direct current breakdown between two electrodes separated by air at STP. The simulation model includes Auger neutralization and cold field electron emission from the cathode as well as electron-neutral elastic, ionization, and excitation interactions. The simulated breakdown voltages at various electrode gap sizes are compared to experimental data and the Paschen curve. It is found that cold field electron emission can explain the breakdown voltage deviation from the Paschen curve measured for small gaps. Breakdown in large gaps proceeds over multiple ion transit timescales as electrons created via Auger neutralization of ions at the cathode quickly stream across the gap, creating new ions which accelerate towards the cathode and release another "pulse" of electrons. If the resultant pulse of electrons is larger than the initial pulse, then this process can build up a significant quasi-neutral plasma in the gap and the voltage drop across the gap will occur primarily across the (thin) sheath. Breakdown is accelerated if the electric field at the cathode surface is large enough for significant cold field emission flux, which increases the plasma density and decreases the Debye length and thus the sheath size, further increasing the electric field and cold field emission flux from the cathode surface. Breakdown in air pressure gaps was found to be sensitive to the differential scattering cross section for electron-neutral interactions. Isotropic scattering of elastic collisions results in lower breakdown voltages at moderate gaps (several mean free paths) and higher breakdown voltages for large gap sizes compared to when more accurate forward-biased scattering distributions are used. The dependence of breakdown voltage on the scattering distribution is due to a competition

  15. Single‐Layered Hybrid Materials Based on 1D Associated Metalorganic Nanoribbons for Controlled Release of Pheromones

    PubMed Central

    Moreno, José María; Navarro, Ismael; Díaz, Urbano; Primo, Jaime

    2016-01-01

    Abstract A new family of stable layered organic–inorganic materials has been prepared, in one‐step solvothermal process. They are based on an ordered nickel cluster‐type nanoribbons separated from each other by specific alkyl (heptyl‐ or dodecyl‐) arylic mono‐carboxylate moieties acting as molecular spacers, perpendicular to the 1D inorganic chains. These organic spacers contain hydrocarbon tails with different length which control the separation level between inorganic 1D sub‐units, inhibiting the 3D growth of conventional DUT‐8‐type metal–organic frameworks (MOFs). The lamellar nature of the materials formed was studied and confirmed by different characterization techniques, showing the structural location of individual organic and inorganic building units. They have been successfully used as a long‐lasting biodegradable and water‐proof materials for controlled release of chemicals, such as pheromones for sustainable treatment of insect plagues. PMID:27444798

  16. H/V ratio: a tool for site effects evaluation. Results from 1-D noise simulations

    NASA Astrophysics Data System (ADS)

    Bonnefoy-Claudet, Sylvette; Cornou, Cécile; Bard, Pierre-Yves; Cotton, Fabrice; Moczo, Peter; Kristek, Jozef; Fäh, Donat

    2006-11-01

    Ambient vibration techniques such as the H/V method may have the potential to significantly contribute to site effect evaluation, particularly in urban areas. Previous studies interpret the so-called Nakamura's technique in relation to the ellipticity ratio of Rayleigh waves, which, for a high enough impedance contrast, exhibits a pronounced peak close to the fundamental S-wave resonance frequency. Within the European SESAME project (Site EffectS assessment using AMbient Excitations) this interpretation has been tested through noise numerical simulation under well-controlled conditions in terms of source type and distribution and propagation structure. We will present simulations for a simple realistic site (one sedimentary layer over bedrock) characterized by a rather high impedance contrast and low quality factor. Careful H/V and array analysis on these noise synthetics allow an in-depth investigation of the link between H/V ratio peaks and the noise wavefield composition for the soil model considered here: (1) when sources are near (4 to 50 times the layer thickness) and surficial, H/V curves exhibit one single peak, while the array analysis shows that the wavefield is dominated by Rayleigh waves; (2) when sources are distant (more than 50 times the layer thickness) and located inside the sedimentary layer, two peaks show up on the H/V curve, while the array analysis indicates both Rayleigh waves and strong S head waves; the first peak is due to both fundamental Rayleigh waves and resonance of head S waves, the second is only due to the resonance of head S waves; (3) when sources are deep (located inside the bedrock), whatever their distance, H/V ratio exhibit peaks at the fundamental and harmonic resonance frequencies, while array analyses indicate only non-dispersive body waves; the H/V is thus simply due to multiple reflections of S waves within the layer. Therefore, considering that experimental H/V ratio (i.e. derived from actual noise measured in the field

  17. Impact of Variations on 1-D Flow in Gas Turbine Engines via Monte Carlo Simulations

    NASA Technical Reports Server (NTRS)

    Ngo, Khiem Viet; Tumer, Irem

    2004-01-01

    The unsteady compressible inviscid flow is characterized by the conservations of mass, momentum, and energy; or simply the Euler equations. In this paper, a study of the subsonic one-dimensional Euler equations with local preconditioning is presented using a modal analysis approach. Specifically, this study investigates the behavior of airflow in a gas turbine engine using the specified conditions at the inflow and outflow boundaries of the compressor, combustion chamber, and turbine, to determine the impact of variations in pressure, velocity, temperature, and density at low Mach numbers. Two main questions motivate this research: 1) Is there any aerodynamic problem with the existing gas turbine engines that could impact aircraft performance? 2) If yes, what aspect of a gas turbine engine could be improved via design to alleviate that impact and to optimize aircraft performance? This paper presents an initial attempt to model the flow behavior in terms of their eigenfrequencies subject to the assumption of the uncertainty or variation (perturbation). The flow behavior is explored using simulation outputs from a customer-deck model obtained from Pratt & Whitney. Variations of the main variables (i.e., pressure, temperature, velocity, density) about their mean states at the inflow and outflow boundaries of the compressor, combustion chamber, and turbine are modeled. Flow behavior is analyzed for the high-pressure compressor and combustion chamber utilizing the conditions on their left and right boundaries. In the same fashion, similar analyses are carried out for the high-pressure and low-pressure turbines. In each case, the eigenfrequencies that are obtained for different boundary conditions are examined closely based on their probabilistic distributions, a result of a Monte Carlo 10,000 sample simulation. Furthermore, the characteristic waves and wave response are analyzed and contrasted among different cases, with and without preconditioners. The results reveal

  18. Linking 1D evolutionary to 3D hydrodynamical simulations of massive stars

    NASA Astrophysics Data System (ADS)

    Cristini, A.; Meakin, C.; Hirschi, R.; Arnett, D.; Georgy, C.; Viallet, M.

    2016-03-01

    Stellar evolution models of massive stars are important for many areas of astrophysics, for example nucleosynthesis yields, supernova progenitor models and understanding physics under extreme conditions. Turbulence occurs in stars primarily due to nuclear burning at different mass coordinates within the star. The understanding and correct treatment of turbulence and turbulent mixing at convective boundaries in stellar models has been studied for decades but still lacks a definitive solution. This paper presents initial results of a study on convective boundary mixing (CBM) in massive stars. The ‘stiffness’ of a convective boundary can be quantified using the bulk Richardson number ({{Ri}}{{B}}), the ratio of the potential energy for restoration of the boundary to the kinetic energy of turbulent eddies. A ‘stiff’ boundary ({{Ri}}{{B}}˜ {10}4) will suppress CBM, whereas in the opposite case a ‘soft’ boundary ({{Ri}}{{B}}˜ 10) will be more susceptible to CBM. One of the key results obtained so far is that lower convective boundaries (closer to the centre) of nuclear burning shells are ‘stiffer’ than the corresponding upper boundaries, implying limited CBM at lower shell boundaries. This is in agreement with 3D hydrodynamic simulations carried out by Meakin and Arnett (2007 Astrophys. J. 667 448-75). This result also has implications for new CBM prescriptions in massive stars as well as for nuclear burning flame front propagation in super-asymptotic giant branch stars and also the onset of novae.

  19. Understanding the colloidal dispersion stability of 1D and 2D materials: Perspectives from molecular simulations and theoretical modeling.

    PubMed

    Lin, Shangchao; Shih, Chih-Jen; Sresht, Vishnu; Govind Rajan, Ananth; Strano, Michael S; Blankschtein, Daniel

    2016-08-03

    The colloidal dispersion stability of 1D and 2D materials in the liquid phase is critical for scalable nano-manufacturing, chemical modification, composites production, and deployment as conductive inks or nanofluids. Here, we review recent computational and theoretical studies carried out by our group to model the dispersion stability of 1D and 2D materials, including single-walled carbon nanotubes, graphene, and graphene oxide in aqueous surfactant solutions or organic solvents. All-atomistic (AA) molecular dynamics (MD) simulations can probe the molecular level details of the adsorption morphology of surfactants and solvents around these materials, as well as quantify the interaction energy between the nanomaterials mediated by surfactants or solvents. Utilizing concepts from reaction kinetics and diffusion, one can directly predict the rate constants for the aggregation kinetics and dispersion life times using MD outputs. Furthermore, the use of coarse-grained (CG) MD simulations allows quantitative prediction of surfactant adsorption isotherms. Combined with the Poisson-Boltzmann equation, the Langmuir isotherm, and the DLVO theory, one can directly use CGMD outputs to: (i) predict electrostatic potentials around the nanomaterial, (ii) correlate surfactant surface coverages with surfactant concentrations in the bulk dispersion medium, and (iii) determine energy barriers against coagulation. Finally, we discuss challenges associated with studying emerging 2D materials, such as, hexagonal boron nitride (h-BN), phosphorene, and transition metal dichalcogenides (TMDCs), including molybdenum disulfide (MoS2). An outlook is provided to address these challenges with plans to develop force-field parameters for MD simulations to enable predictive modeling of emerging 2D materials in the liquid phase.

  20. Developing integrated patient pathways using hybrid simulation

    NASA Astrophysics Data System (ADS)

    Zulkepli, Jafri; Eldabi, Tillal

    2016-10-01

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

  1. Cluster hybrid Monte Carlo simulation algorithms.

    PubMed

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

    2002-06-01

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

  2. Cluster hybrid Monte Carlo simulation algorithms

    NASA Astrophysics Data System (ADS)

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

    2002-06-01

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

  3. Ion dynamics at supercritical quasi-parallel shocks: Hybrid simulations

    NASA Astrophysics Data System (ADS)

    Su, Yanqing; Lu, Quanming; Gao, Xinliang; Huang, Can; Wang, Shui

    2012-09-01

    By separating the incident ions into directly transmitted, downstream thermalized, and diffuse ions, we perform one-dimensional (1D) hybrid simulations to investigate ion dynamics at a supercritical quasi-parallel shock. In the simulations, the angle between the upstream magnetic field and shock nominal direction is θBn=30°, and the Alfven Mach number is MA˜5.5. The shock exhibits a periodic reformation process. The ion reflection occurs at the beginning of the reformation cycle. Part of the reflected ions is trapped between the old and new shock fronts for an extended time period. These particles eventually form superthermal diffuse ions after they escape to the upstream of the new shock front at the end of the reformation cycle. The other reflected ions may return to the shock immediately or be trapped between the old and new shock fronts for a short time period. When the amplitude of the new shock front exceeds that of the old shock front and the reformation cycle is finished, these ions become thermalized ions in the downstream. No noticeable heating can be found in the directly transmitted ions. The relevance of our simulations to the satellite observations is also discussed in the paper.

  4. Hybrid adaptive-optics visual simulator.

    PubMed

    Cánovas, Carmen; Prieto, Pedro M; Manzanera, Silvestre; Mira, Alejandro; Artal, Pablo

    2010-01-15

    We have developed a hybrid adaptive-optics visual simulator (HAOVS), combining two different phase-manipulation technologies: an optically addressed liquid-crystal phase modulator, relatively slow but capable of producing abrupt or discontinuous phase profiles; and a membrane deformable mirror, restricted to smooth profiles but with a temporal response allowing compensation of the eye's aberration fluctuations. As proof of concept, a phase element structured as discontinuous radial sectors was objectively tested as a function of defocus, and a correction loop was closed in a real eye. To further illustrate the capabilities of the device for visual simulation, we recorded extended images of different stimuli through the system by means of an external camera replacing the subject's eye. The HAOVS is specially intended as a tool for developing new ophthalmic optics elements, where it opens the possibility to explore designs with irregularities and/or discontinuities.

  5. Forcing continuous reconnection in hybrid simulations

    SciTech Connect

    Laitinen, T. V. Janhunen, P.; Jarvinen, R.; Kallio, E.

    2014-07-15

    We have performed hybrid simulations of driven continuous reconnection with open boundary conditions. Reconnection is started by a collision of two subsonic plasma fronts with opposite magnetic fields, without any specified magnetic field configuration as initial condition. Due to continued forced plasma inflow, a current sheet co-located with a dense and hot plasma sheet develops. The translational symmetry of the current sheet is broken by applying a spatial gradient in the inflow speed. We compare runs with and without localized resistivity: reconnection is initiated in both cases, but localized resistivity stabilizes it and enhances its efficiency. The outflow speed reaches about half of Alfvén speed. We quantify the conversion of magnetic energy to kinetic energy of protons and to Joule heating and show that with localized resistivity, kinetic energy of protons is increased on average five-fold in the reconnection in our simulation case.

  6. Hybrid Concurrent Constraint Simulation Models of Several Systems

    NASA Technical Reports Server (NTRS)

    Sweet, Adam

    2003-01-01

    This distribution contains several simulation models created for the hybrid simulation language, Hybrid Concurrent Constraint (HCC). An HCC model contains the information specified in the widely-accepted academic definition of a hybrid system: this includes expressions for the modes of the systems to be simulated and the differential equations that apply in each mode. These expressions are written in the HCC syntax. The models included here were created by either applying basic physical laws or implementing equations listed in previously published papers.

  7. Satellite-derived light extinction coefficient and its impact on thermal structure simulations in a 1-D lake model

    NASA Astrophysics Data System (ADS)

    Zolfaghari, Kiana; Duguay, Claude R.; Kheyrollah Pour, Homa

    2017-01-01

    A global constant value of the extinction coefficient (Kd) is usually specified in lake models to parameterize water clarity. This study aimed to improve the performance of the 1-D freshwater lake (FLake) model using satellite-derived Kd for Lake Erie. The CoastColour algorithm was applied to MERIS satellite imagery to estimate Kd. The constant (0.2 m-1) and satellite-derived Kd values as well as radiation fluxes and meteorological station observations were then used to run FLake for a meteorological station on Lake Erie. Results improved compared to using the constant Kd value (0.2 m-1). No significant improvement was found in FLake-simulated lake surface water temperature (LSWT) when Kd variations in time were considered using a monthly average. Therefore, results suggest that a time-independent, lake-specific, and constant satellite-derived Kd value can reproduce LSWT with sufficient accuracy for the Lake Erie station. A sensitivity analysis was also performed to assess the impact of various Kd values on the simulation outputs. Results show that FLake is sensitive to variations in Kd to estimate the thermal structure of Lake Erie. Dark waters result in warmer spring and colder fall temperatures compared to clear waters. Dark waters always produce colder mean water column temperature (MWCT) and lake bottom water temperature (LBWT), shallower mixed layer depth (MLD), longer ice cover duration, and thicker ice. The sensitivity of FLake to Kd variations was more pronounced in the simulation of MWCT, LBWT, and MLD. The model was particularly sensitive to Kd values below 0.5 m-1. This is the first study to assess the value of integrating Kd from the satellite-based CoastColour algorithm into the FLake model. Satellite-derived Kd is found to be a useful input parameter for simulations with FLake and possibly other lake models, and it has potential for applicability to other lakes where Kd is not commonly measured.

  8. Large-Scale Hybrid Dynamic Simulation Employing Field Measurements

    SciTech Connect

    Huang, Zhenyu; Guttromson, Ross T.; Hauer, John F.

    2004-06-30

    Simulation and measurements are two primary ways for power engineers to gain understanding of system behaviors and thus accomplish tasks in system planning and operation. Many well-developed simulation tools are available in today's market. On the other hand, large amount of measured data can be obtained from traditional SCADA systems and currently fast growing phasor networks. However, simulation and measurement are still two separate worlds. There is a need to combine the advantages of simulation and measurements. In view of this, this paper proposes the concept of hybrid dynamic simulation which opens up traditional simulation by providing entries for measurements. A method is presented to implement hybrid simulation with PSLF/PSDS. Test studies show the validity of the proposed hybrid simulation method. Applications of such hybrid simulation include system event playback, model validation, and software validation.

  9. Hybrid simulation of the shock wave trailing the Moon

    NASA Astrophysics Data System (ADS)

    Israelevich, P.; Ofman, L.

    2012-08-01

    A standing shock wave behind the Moon was predicted by Michel (1967) but never observed nor simulated. We use 1D hybrid code in order to simulate the collapse of the plasma-free cavity behind the Moon and for the first time to model the formation of this shock. Starting immediately downstream of the obstacle we consider the evolution of plasma expansion into the cavity in the frame of reference moving along with the solar wind. Well-known effects as electric charging of the cavity affecting the plasma flow and counterstreaming ion beams in the wake are reproduced. Near the apex of the inner Mach cone where the plasma flows from the opposite sides of the obstacle meet, a shock wave arises. We expect the shock to be produced at periods of high electron temperature solar wind streams (Ti ≪ Te ˜ 100 eV). The shock is produced by the interaction of oppositely directed proton beams in the plane containing solar wind velocity and interplanetary magnetic field vectors. In the direction across the magnetic field and the solar wind velocity, the shock results from the interaction of the plasma flow with the region of the enhanced magnetic field inside the cavity that plays the role of the magnetic barrier. The appearance of the standing shock wave is expected at the distance of ˜7RM downstream of the Moon.

  10. Hybrid simulation of the shock wave trailing the Moon

    NASA Astrophysics Data System (ADS)

    Israelevich, P.; Ofman, L.

    2012-04-01

    Standing shock wave behind the Moon was predicted be Michel (1967) but never observed nor simulated. We use 1D hybrid code in order to simulate the collapse of the plasma-free cavity behind the Moon and for the first time to model the formation of this shock. Starting immediately downstream of the obstacle we consider the evolution of plasma expansion into the cavity in the frame of reference moving along with the solar wind. Well-known effects as electric charging of the cavity affecting the plasma flow and counter streaming ion beams in the wake are reproduced. Near the apex of the inner Mach cone where the plasma flows from the opposite sides of the obstacle meet, a shock wave arises. The shock is produced by the interaction of oppositely directed proton beams in the plane containing solar wind velocity and interplanetary magnetic field vectors. In the direction across the magnetic field and the solar wind velocity, the shock results from the interaction of the plasma flow with the region of the enhanced magnetic field inside the cavity that plays the role of magnetic barrier. The appearance of the standing shock wave is expected at the distance of ~ 7RM downstream of the Moon.

  11. Hybrid Simulation of the Shock Wave Trailing the Moon

    NASA Technical Reports Server (NTRS)

    Israelevich, P.; Ofman, Leon

    2012-01-01

    A standing shock wave behind the Moon was predicted by Michel (1967) but never observed nor simulated. We use 1D hybrid code in order to simulate the collapse of the plasma-free cavity behind the Moon and for the first time to model the formation of this shock. Starting immediately downstream of the obstacle we consider the evolution of plasma expansion into the cavity in the frame of reference moving along with the solar wind. Well-known effects as electric charging of the cavity affecting the plasma flow and counterstreaming ion beams in the wake are reproduced. Near the apex of the inner Mach cone where the plasma flows from the opposite sides of the obstacle meet, a shock wave arises. We expect the shock to be produced at periods of high electron temperature solar wind streams (T(sub i) much less than T(sub e) approximately 100 eV). The shock is produced by the interaction of oppositely directed proton beams in the plane containing solar wind velocity and interplanetary magnetic field vectors. In the direction across the magnetic field and the solar wind velocity, the shock results from the interaction of the plasma flow with the region of the enhanced magnetic field inside the cavity that plays the role of the magnetic barrier. The appearance of the standing shock wave is expected at the distance of approximately 7R(sub M) downstream of the Moon.

  12. Accelerating Climate Simulations Through Hybrid Computing

    NASA Technical Reports Server (NTRS)

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

    2009-01-01

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

  13. 1D Ni-Co oxide and sulfide nanoarray/carbon aerogel hybrid nanostructures for asymmetric supercapacitors with high energy density and excellent cycling stability.

    PubMed

    Hao, Pin; Tian, Jian; Sang, Yuanhua; Tuan, Chia-Chi; Cui, Guanwei; Shi, Xifeng; Wong, C P; Tang, Bo; Liu, Hong

    2016-09-15

    The fabrication of supercapacitor electrodes with high energy density and excellent cycling stability is still a great challenge. A carbon aerogel, possessing a hierarchical porous structure, high specific surface area and electrical conductivity, is an ideal backbone to support transition metal oxides and bring hope to prepare electrodes with high energy density and excellent cycling stability. Therefore, NiCo2S4 nanotube array/carbon aerogel and NiCo2O4 nanoneedle array/carbon aerogel hybrid supercapacitor electrode materials were synthesized by assembling Ni-Co precursor needle arrays on the surface of the channel walls of hierarchical porous carbon aerogels derived from chitosan in this study. The 1D nanostructures grow on the channel surface of the carbon aerogel vertically and tightly, contributing to the enhanced electrochemical performance with ultrahigh energy density. The energy density of NiCo2S4 nanotube array/carbon aerogel and NiCo2O4 nanoneedle array/carbon aerogel hybrid asymmetric supercapacitors can reach up to 55.3 Wh kg(-1) and 47.5 Wh kg(-1) at a power density of 400 W kg(-1), respectively. These asymmetric devices also displayed excellent cycling stability with a capacitance retention of about 96.6% and 92% over 5000 cycles.

  14. A numerical method of reduced complexity for simulating vascular hemodynamics using coupled 0D lumped and 1D wave propagation models.

    PubMed

    Kroon, Wilco; Huberts, Wouter; Bosboom, Marielle; van de Vosse, Frans

    2012-01-01

    A computational method of reduced complexity is developed for simulating vascular hemodynamics by combination of one-dimensional (1D) wave propagation models for the blood vessels with zero-dimensional (0D) lumped models for the microcirculation. Despite the reduced dimension, current algorithms used to solve the model equations and simulate pressure and flow are rather complex, thereby limiting acceptance in the medical field. This complexity mainly arises from the methods used to combine the 1D and the 0D model equations. In this paper a numerical method is presented that no longer requires additional coupling methods and enables random combinations of 1D and 0D models using pressure as only state variable. The method is applied to a vascular tree consisting of 60 major arteries in the body and the head. Simulated results are realistic. The numerical method is stable and shows good convergence.

  15. A 1D-ecosystem model for pelagic waters in the southern Baltic Sea. Numerical simulations (future decades)

    NASA Astrophysics Data System (ADS)

    Dzierzbicka-Glowacka, L.; Maciejewska, A.; Osiński, R.; Jakacki, J.; Jędrasik, J.

    2009-04-01

    This paper presents a one-dimensional Ecosystem Model. Mathematically, the pelagic variables in the model are described by a second-order partial differential equation of the diffusion type with biogeochemical sources and sinks. The temporal changes in the phytoplankton biomass are caused by primary production, respiration, mortality, grazing by zooplankton and sinking. The zooplankton biomass is affected by ingestion, excretion, respiration, fecal production, mortality, and carnivorous grazing. The changes in the pelagic detritus concentration are determined by input of: dead phytoplankton and zooplankton, natural mortality of predators, fecal pellets, and sinks: sedimentation, zooplankton grazing and decomposition. The nutrient concentration is caused by nutrient release, zooplankton excretion, predator excretion, detritus decomposition and benthic regeneration as sources and by nutrient uptake by phytoplankton as sinks. However, the benthic detritus is described by phytoplankton sedimentation, detritus sedimentation and remineralisation. The particulate organic carbon concentration is determined as the sum of phytoplankton, zooplankton and dead organic matter (detritus) concentrations. The 1D ecosystem model was used to simulate the seasonal dynamics of pelagic variables (phytoplankton, zooplankton, pelagic detritus and POC) in the southern Baltic Sea (Gdańsk Deep, Bornholm Deep and Gotland Deep). The calculations were made assuming: 1) increase in the water temperature in the upper layer - 0.008oC per year, 2) increase in the available light - 0.2% per year. Based on this trend, daily, monthly and seasonal and annual variability of phytoplankton, zooplankton, pelagic detritus and particulate organic carbon in different areas of the southern Baltic Sea (Gdańsk Deep, Borrnholm Deep and Gotland Deep) in the euphotic layer was calculated for the years: 2000, 2010, 2020, 2030, 2040 and 2050.

  16. Simulations of lower-hybrid coupling in the Madison Symmetric Torus

    SciTech Connect

    Carlsson, Johan; Smithe, David; Carter, Mark; Kaufman, Mike

    2009-11-26

    Simulations of Lower Hybrid (LH) coupling in the Madison Symmetric Torus (MST) Reversed Field Pinch (RFP) will be presented. Due to the special requirements of the RFP configuration (tight-fitting conducting shell in which only minimal portholes are acceptable), an unusual interdigital line slow-wave antenna is used, mounted below the mid plane on the inboard side. A number of codes are used, including VORPAL, RANT3D/AORSA1D-H and MWS, each solving different equations and using different algorithms. Output from the different codes will be presented and compared to verify the simulation results.

  17. Hybrid simulation of the shock wave formation behind the Moon

    NASA Astrophysics Data System (ADS)

    Israelevich, P.; Ofman, L.

    2012-09-01

    A standing shock wave behind the Moon was predicted by Michel (1967) but never observed nor simulated. We use 1D hybrid code in order to simulate the collapse of the plasma-free cavity behind the Moon and for the first time to model the formation of this shock. Starting immediately downstream of the obstacle we consider the evolution of plasma expansion into the cavity in the frame of reference moving along with the solar wind. Wellknown effects as electric charging of the cavity affecting the plasma flow and counter streaming ion beams in the wake are reproduced. Near the apex of the inner Mach cone where the plasma flows from the opposite sides of the obstacle meet, a shock wave arises. The shock is produced by the interaction of oppositely directed proton beams in the plane containing solar wind velocity and interplanetary magnetic field vectors. In the direction across the magnetic field and the solar wind velocity, the shock results from the interaction of the plasma flow with the region of the enhanced magnetic field inside the cavity that plays the role of the magnetic barrier. Simulations with lower electron temperatures (Te~20eV) show weakened shock formation behind the moon at much greater distances. The shock disappears for typical solar wind conditions (Ti ~ Te) Therefore, in order to observe the trailing shock, a satellite should have a trajectory passing very close to the wake axis during the period of hot solar wind streams. We expect the shock to be produced at periods of high electron temperature solar wind streams (Ti<

  18. Hybrid simulations of thin current sheets

    NASA Technical Reports Server (NTRS)

    Burkhart, G. R.; Dusenbery, P. B.; Speiser, T. W.

    1993-01-01

    A one-dimensional, hybrid simulation code is used to study current sheets with a nonzero normal magnetic field B(sub z) and a dawn-to-dusk electric field E(sub y). Such configurations are dependent upon only two parameters: we use the normalized normal magnetic field B-normalized (sub z) = B(sub z)/(4(pi)(n(sub b)) (v(exp 2 sub T))(exp 1/2) and normalized electric field V-normalized (sub D) = (1/V(sub T)(cE(sub y)/B(sub z)), where V(sub T) is the thermal velocity of ions prior to their interaction with the current sheet and n(sub b) is the number density outside the current sheet (at the simulation boundary). A third parameter that is relevant to the motion of particles in current sheets is kappa(sub A), the value of kappa = (R(sub min)/rho(sub max))(exp 1/2) for particles of average energy. We find that if either B-normalized (sub z) is close to or greater than 1, or if kappa(sub A) is close to 1, a rotational mode develops in which the z = 0 current rotates with the ion sense about the normal magnetic field, while for small values of both B-normalized (sub z) or kappa(sub A), the configuration is quasi-steady. To achieve values of kappa(sub A) of the order of or larger than 1, we decrease the value of V-normalized (sub D) uniformly. We find that the magnetic field fluctuations and particle distribution functions are similar in many respects to what was observed in the day 240, 1986, Active Magnetospheric Particle Tracer Explorer (AMPTE)/CCE current disruption event, an event that appears to be located at the site of initiation of current disruption and related particle energization.

  19. A hybrid simulation of contact discontinuity

    NASA Technical Reports Server (NTRS)

    Wu, B. H.; Chao, J. K.; Tsai, W. H.; Lin, Y.; Lee, L. C.

    1994-01-01

    Contact discontinuities in a collisionless plasma are studied by hybrid simulations, in which ions are treated as particles and electrons are considered as a fluid. It is demonstrated that contact discontinuity with a stable density ramp can exist in cases with a finite electron temperature. An electron pressure gradient is present across the contact discontinuity, leading to the presence of a parallel electric field and hence field-aligned potential increase (Delta Phi (sub parallel)) in the transition region. By reflecting ions at the discontinuity, this parallel electric potential peak reduces the interpenetration between hot and cold ions and maintains a stable density ramp across the contact discontinuity. The ratio of the field-aligned electric potential energy to ion thermal energy, e(Delta) Phi(sub parallel)/kT(sub i), is found to be an increasing function of T(sub e)/T(sub i), where T(sub e) and T(sub i) are respectively the electron and ion temperature.

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

    SciTech Connect

    Baring-Gould, E.I.

    1996-06-01

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

  1. Relationships between Th1 or Th2 iNKT Cell Activity and Structures of CD1d-Antigen Complexes: Meta-analysis of CD1d-Glycolipids Dynamics Simulations

    PubMed Central

    Laurent, Xavier; Renault, Nicolas; Farce, Amaury; Chavatte, Philippe; Hénon, Eric

    2014-01-01

    A number of potentially bioactive molecules can be found in nature. In particular, marine organisms are a valuable source of bioactive compounds. The activity of an α-galactosylceramide was first discovered in 1993 via screening of a Japanese marine sponge (Agelas mauritanius). Very rapidly, a synthetic glycololipid analogue of this natural molecule was discovered, called KRN7000. Associated with the CD1d protein, this α-galactosylceramide 1 (KRN7000) interacts with the T-cell antigen receptor to form a ternary complex that yields T helper (Th) 1 and Th2 responses with opposing effects. In our work, we carried out molecular dynamics simulations (11.5 µs in total) involving eight different ligands (conducted in triplicate) in an effort to find out correlation at the molecular level, if any, between chemical modulation of 1 and the orientation of the known biological response, Th1 or Th2. Comparative investigations of human versus mouse and Th1 versus Th2 data have been carried out. A large set of analysis tools was employed including free energy landscapes. One major result is the identification of a specific conformational state of the sugar polar head, which could be correlated, in the present study, to the biological Th2 biased response. These theoretical tools provide a structural basis for predicting the very different dynamical behaviors of α-glycosphingolipids in CD1d and might aid in the future design of new analogues of 1. PMID:25376021

  2. Simulation and Analysis of the Hybrid Operating Mode in ITER

    SciTech Connect

    Kessel, C.E.; Budny, R.V.; Indireshkumar, K.

    2005-09-22

    The hybrid operating mode in ITER is examined with 0D systems analysis, 1.5D discharge scenario simulations using TSC and TRANSP, and the ideal MHD stability is discussed. The hybrid mode has the potential to provide very long pulses and significant neutron fluence if the physics regime can be produced in ITER. This paper reports progress in establishing the physics basis and engineering limitation for the hybrid mode in ITER.

  3. A reduced-order model based on the coupled 1D-3D finite element simulations for an efficient analysis of hemodynamics problems

    NASA Astrophysics Data System (ADS)

    Soudah, Eduardo; Rossi, Riccardo; Idelsohn, Sergio; Oñate, Eugenio

    2014-10-01

    A reduced-order model for an efficient analysis of cardiovascular hemodynamics problems using multiscale approach is presented in this work. Starting from a patient-specific computational mesh obtained by medical imaging techniques, an analysis methodology based on a two-step automatic procedure is proposed. First a coupled 1D-3D Finite Element Simulation is performed and the results are used to adjust a reduced-order model of the 3D patient-specific area of interest. Then, this reduced-order model is coupled with the 1D model. In this way, three-dimensional effects are accounted for in the 1D model in a cost effective manner, allowing fast computation under different scenarios. The methodology proposed is validated using a patient-specific aortic coarctation model under rest and non-rest conditions.

  4. Comprehensive analysis of photonic effects on up-conversion of β-NaYF4:Er3+ nanoparticles in an organic-inorganic hybrid 1D photonic crystal

    NASA Astrophysics Data System (ADS)

    Hofmann, C. L. M.; Fischer, S.; Reitz, C.; Richards, B. S.; Goldschmidt, J. C.

    2016-04-01

    Upconversion (UC) presents a possibility to exploit sub-bandgap photons for current generation in solar cells by creating one high-energy photon out of at least two lower-energy photons. Photonic structures can enhance UC by two effects: a locally increased irradiance and a modified local density of photon states (LDOS). Bragg stacks are promising photonic structures for this application, because they are straightforward to optimize and overall absorption can be increased by adding more layers. In this work, we present a comprehensive simulation-based analysis of the photonic effects of a Bragg stack on UC luminescence. The investigated organic-inorganic hybrid Bragg stack consists of alternating layers of Poly(methylmethacrylate) (PMMA), containing purpose-built β-NaYF4:25% Er3+ core-shell nanoparticles and titanium dioxide (TiO2). From optical characterization of single thin layers, input parameters for simulations of the photonic effects are generated. The local irradiance enhancement and modulated LDOS are first simulated separately. Subsequently they are coupled in a rate equation model of the upconversion dynamics. Using the integrated model, UC luminescence is maximized by adapting the Bragg stack design. For a Bragg stack of only 5 bilayers, UC luminescence is enhanced by a factor of 3.8 at an incident irradiance of 2000 W/m2. Our results identify the Bragg stack as promising for enhancing UC, especially in the low-irradiance regime, relevant for the application in photovoltaics. Therefore, we experimentally realized optimized Bragg stack designs. The PMMA layers, containing UC nanoparticles, are produced via spin-coating from a toluene based solution. The TiO2 layers are produced by atomic layer deposition from molecular precursors. The reflectance measurements show that the realized Bragg stacks are in good agreement with predictions from simulation.

  5. Hybrid functionals for simulating complex oxides

    NASA Astrophysics Data System (ADS)

    Franchini, Cesare

    Hybrid functionals are a class of exchange-correlation (XC) functionals in density functional theory (DFT) that are constructed by a suitable mixing of local/semi-local XC functionals (LDA/GGA) with a certain portion of the exact Hartree-Fock exchange. After being used for years in the chemistry community for studying molecular properties, hybrid functionals are being increasingly widely used for solid state problems, for which standard LDA/GGA approximations provide a defective description. In particular, hybrid functionals appear to account well for the complicated coupling between lattice, charge and spin degrees of freedom in transition metal oxides, a class of materials that has recently attracted a lot of interest due to its technological relevance (all-oxides electronics), the large spectrum of functionalities, and the many challenging issues related to strong electronic correlation. The purpose of this talk is to present the essential ideas and physical picture of hybrid functionals and to present a map of recent applications to complex oxides aiming to cover an ample spectra of cases (sp , 3 d, 4 d and 5 d compounds) and to discuss an extended array of physical phenomena including: metal-to-insulator transitions, electron localization, bandgap prediction, polarons, multiferroism, and spin-orbit coupling.

  6. A New Class of Hybrid Schemes Based on Large Eddy Simulation and Low-Dimensional Stochastic Models

    DTIC Science & Technology

    2006-06-01

    solutions are extended from the bulk flow to the wall. The hybrid approach reproduces very well velocity profiles normal to the wall, which are...of 3D LES with 1D solutions based on the ODT, with ODT elements embedded within the LES computational domain. The solutions require the coupling of...combustion, large-eddy simulations; reacting flows , the One-Dimensional Turbulence (ODT) model, subgrid scale modeling 16. SECURITY CLASSIFICATION OF: 17

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

    NASA Astrophysics Data System (ADS)

    Anderson, L. A.

    1983-12-01

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

  8. Distributed Heterogeneous Simulation of a Hybrid-Electric Vehicle

    DTIC Science & Technology

    2006-03-29

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

  9. Combining simulated patients and simulators: pilot study of hybrid simulation in teaching cardiac auscultation.

    PubMed

    Friederichs, Hendrik; Weissenstein, Anne; Ligges, Sandra; Möller, David; Becker, Jan C; Marschall, Bernhard

    2014-12-01

    Auscultation torsos are widely used to teach position-dependent heart sounds and murmurs. To provide a more realistic teaching experience, both whole body auscultation mannequins and torsos have been used in clinical examination skills training at the Medical Faculty of the University of Muenster since the winter term of 2008-2009. This training has since been extended by simulated patients, which are normal, healthy subjects who have undergone attachment of the electronic components of the auscultation mannequins to their chests to mimic pathophysiological conditions ("hybrid models"). The acceptance of this new learning method was examined in the present pilot study. In total, 143 students in their second preclinical year who were participating in auscultation training were randomized into an intervention group (hybrid models) and a control group (auscultation mannequins). One hundred forty-two (99.3%) of these students completed a self-assessment Likert-scale questionnaire regarding different teaching approaches (where 1 = "very poor" to 100 = "very good"). The questionnaire focused on the "value of learning" of different teaching approaches. Direct comparison showed that students evaluated the hybrid models to be significantly more effective than the auscultation mannequins (median: 83 vs. 64, P < 0.001). The cardiac auscultation training was generally assessed positively (median: 88). Additionally, verbal feedback was obtained from simulated patients and tutors (trained students who had successfully passed the course a few semesters earlier). Personal feedback showed high satisfaction from student tutors and simulated patients. Hybrid simulators for teaching cardiac auscultation elucidated positive responses from students, tutors, and simulated patients.

  10. Ice Concentration Retrieval in Stratiform Mixed-phase Clouds Using Cloud Radar Reflectivity Measurements and 1D Ice Growth Model Simulations

    SciTech Connect

    Zhang, Damao; Wang, Zhien; Heymsfield, Andrew J.; Fan, Jiwen; Luo, Tao

    2014-10-01

    Measurement of ice number concentration in clouds is important but still challenging. Stratiform mixed-phase clouds (SMCs) provide a simple scenario for retrieving ice number concentration from remote sensing measurements. The simple ice generation and growth pattern in SMCs offers opportunities to use cloud radar reflectivity (Ze) measurements and other cloud properties to infer ice number concentration quantitatively. To understand the strong temperature dependency of ice habit and growth rate quantitatively, we develop a 1-D ice growth model to calculate the ice diffusional growth along its falling trajectory in SMCs. The radar reflectivity and fall velocity profiles of ice crystals calculated from the 1-D ice growth model are evaluated with the Atmospheric Radiation Measurements (ARM) Climate Research Facility (ACRF) ground-based high vertical resolution radar measurements. Combining Ze measurements and 1-D ice growth model simulations, we develop a method to retrieve the ice number concentrations in SMCs at given cloud top temperature (CTT) and liquid water path (LWP). The retrieved ice concentrations in SMCs are evaluated with in situ measurements and with a three-dimensional cloud-resolving model simulation with a bin microphysical scheme. These comparisons show that the retrieved ice number concentrations are within an uncertainty of a factor of 2, statistically.

  11. Reversible folding simulation by hybrid Hamiltonian replica exchange

    NASA Astrophysics Data System (ADS)

    Xu, Weixin; Lai, Tingfeng; Yang, Ye; Mu, Yuguang

    2008-05-01

    Reversible foldings of a β-hairpin peptide, chignolin, by recently invented hybrid Hamiltonian replica exchange molecular dynamics simulations based on Poisson-Boltzmann model in explicit water are demonstrated. Initiated from extended structures the peptide folded and unfolded a couple of times in seven out of eight replica trajectories during 100 nanoseconds simulation. The folded states have the lowest all-atom root mean squared deviation of 1.3Å with respect to the NMR structures. At T =300K the occurrence of folded states was converged to 62% during 80ns simulation which agrees well with experimental data. Especially, a detailed structural evolution map was constructed based on 800 000 structural snapshots and from where a unique folding doorway emerges. Compared with 130ns standard replica exchange simulation using 24 replicas on the same system, the hybrid Hamiltonian replica exchange molecular dynamics simulation presents consistent results.

  12. Molecular dynamics simulation of liquid water: Hybrid density functionals

    SciTech Connect

    Todorova, T; Seitsonen, A; Hutter, J; Kuo, W; Mundy, C

    2005-09-12

    The structure, dynamical and electronic properties of liquid water utilizing different hybrid density functionals were tested within the plane wave framework of first principles molecular dynamics simulations. The computational approach, which employs modified functionals with short-ranged Hartree-Fock exchange, was first tested in calculations of the structural and bonding properties of the water dimer and cyclic water trimer. Liquid water simulations were performed at the state point of 350 K at the experimental density. Simulations included three different hybrid functionals, a meta functional, four gradient corrected functionals, the local density and Hartree-Fock approximation. It is found that hybrid functionals are superior in reproducing the experimental structure and dynamical properties as measured by the radial distribution function and self diffusion constant when compared to the pure density functionals. The local density and Hartree-Fock approximations show strongly over- and under-structured liquids, respectively. Hydrogen bond analysis shows that the hybrid functionals give slightly smaller averaged numbers of hydrogen bonds and similar hydrogen bond populations as pure density functionals. The average molecular dipole moments in the liquid from the three hybrid functionals are lower than from the corresponding pure density functionals.

  13. Data of the recombination loss mechanisms analysis on Al2O3 PERC cell using PC1D and PC2D simulations.

    PubMed

    Huang, Haibing; Lv, Jun; Bao, Yameng; Xuan, Rongwei; Sun, Shenghua; Sneck, Sami; Li, Shuo; Modanese, Chiara; Savin, Hele; Wang, Aihua; Zhao, Jianhua

    2017-04-01

    This data article is related to our recently published article ('20.8% industrial PERC solar cell: ALD Al2O3 rear surface passivation, efficiency loss mechanisms analysis and roadmap to 24%', Huang et al., 2017 [1]) where we have presented a systematic evaluation of the overall cell processing and a cost-efficient industrial roadmap for PERC cells. Aside from the information already presented in Huang et al., 2017 [1], here we provide data related to Sectin 3 in Huang et al., 2017 [1] concerning the analysis of the recombination losses׳ mechanisms by PC1D V5.9 and PC2D simulations (Clugston and Basore, 1997, Basore and Cabanas-Holmen, 2011, Cabanas-Holmen and Basore, 2012 and Cabanas-Holmen and Basore, 2012.) [2], [3], [4], [5] on our current industrial Al2O3 PERC cell. The data include: i) PC2D simulations on J02, ii) the calculation of series resistance and back surface recombination velocity (BSRV) on the rear side metallization of PERC cell for the case of a point contact, and iii) the PC1D simulation on the cumulative photo-generation and recombination along the distance from the front surface. Finally, the roadmap of the solar cell efficiency for an industrial PERC technology up to 24% is presented, with the aim of providing a potential guideline for industrial researchers.

  14. Pressure calculation in hybrid particle-field simulations.

    PubMed

    Milano, Giuseppe; Kawakatsu, Toshihiro

    2010-12-07

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

  15. Pressure calculation in hybrid particle-field simulations

    SciTech Connect

    Milano, Giuseppe; Kawakatsu, Toshihiro

    2010-12-07

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

  16. Hybrid simulation theory for a classical nonlinear dynamical system

    NASA Astrophysics Data System (ADS)

    Drazin, Paul L.; Govindjee, Sanjay

    2017-03-01

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

  17. Sandia Laboratories hybrid computer and motion simulator facilities

    SciTech Connect

    Curry, W. H.; French, R. E.

    1980-05-01

    Hybrid computer and motion simulator facilities at Sandia National Laboratories include an AD/FIVE-AD10-PDP11/60, an AD/FIVE-PDP11/45, an EAI7800-EAI640, an EAI580/TR48-Nova 800, and two Carco S-45OR-3/R-493A three-axis motion simulators. An EAI680 is used in the analog mode only. This report describes the current equipment.

  18. Effects of various types of molecular dynamics on 1D and 2D (2)H NMR studied by random walk simulations

    PubMed

    Vogel; Rossler

    2000-11-01

    By carrying out random walk simulations we systematically study the effects of various types of complex molecular dynamics on (2)H NMR experiments in solids. More precisely, we calculate one-dimensional (1D) (2)H NMR spectra and the results of two dimensional (2D) (2)H NMR experiments in time domain, taking into account isotropic as well as highly restricted motions which involve rotational jumps about different finite angles. Although the dynamical models are chosen to mimic the primary and secondary relaxation in supercooled liquids and glasses, we do not intend to describe experimental results quantitatively but rather to show general effects appearing for complex reorientations. We carefully investigate whether 2D (2)H NMR in time domain, which was originally designed to measure correlation times of ultraslow motions (tau >/= 1 ms), can be used to obtain shorter tau, too. It is demonstrated that an extension of the time window to tau >/= 10 &mgr;s is possible when dealing with exponential relaxation, but that it will fail if there is a distribution of correlation times G(lgtau). Vice versa, we show that 1D (2)H NMR spectra, usually recorded to look at dynamics with tau in the microsecond regime, are also applicable for studying ultraslow motions provided that the loss of correlation is achieved step by step. Therefore, it is useful to carry out 1D and 2D NMR experiments simultaneously in order to reveal the mechanism of complex molecular motions. In addition, we demonstrate that highly restricted dynamics can be clearly observed in 1D spectra and in 2D NMR in time domain if long solid-echo delays and large evolution times are applied, respectively. Finally, unexpected observations are described which appear in the latter experiment when considering very broad distributions G(lgtau). Because of these effects, time scale and geometry of a considered motion cannot be extracted from a straightforward analysis of experimental results. Copyright 2000 Academic Press.

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

    SciTech Connect

    Jiang, Yi; He, Kejing; Dong, Shoubin

    2009-01-01

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

  20. Hybrid simulations of weakly collisional plasmas

    NASA Astrophysics Data System (ADS)

    Xia, Qian; Reville, Brian; Tzoufras, Michail

    2016-10-01

    Laser produced plasma experiments can be exploited to investigate phenomena of astrophysical relevance. The high densities and velocities that can be generated in the laboratory provide ideal conditions to investigate weakly collisional or collisionless plasma shock physics. In addition, the high temperatures permit magnetic and kinetic Reynolds numbers that are difficult to achieve in other plasma experiments, opening the possibility to study plasma dynamo. Many of these experiments are based on a classic plasma physics problem, namely the interpenetration of two plasma flows. To investigate this phenomenon, we are constructing a novel multi-dimensional hybrid numerical scheme, that solves the ion distribution kinetically via a Vlasov-Fokker-Planck equation, with electrons providing a charge neutralizing fluid. This allows us to follow the evolution on hydrodynamic timescales, while permitting inclusion ofcollisionlesseffects on small scales. It also could be used to study the increasing collisional effects due to the stiff gradient and weakly anisotropic velocity distribution. We present some preliminary validation tests for the code, demonstrating its ability to accurately model key processes that are relevant to laboratory and astrophysical plasmas.

  1. Pulse wave propagation in a model human arterial network: Assessment of 1-D visco-elastic simulations against in vitro measurements

    PubMed Central

    Alastruey, Jordi; Khir, Ashraf W.; Matthys, Koen S.; Segers, Patrick; Sherwin, Spencer J.; Verdonck, Pascal R.; Parker, Kim H.; Peiró, Joaquim

    2011-01-01

    The accuracy of the nonlinear one-dimensional (1-D) equations of pressure and flow wave propagation in Voigt-type visco-elastic arteries was tested against measurements in a well-defined experimental 1:1 replica of the 37 largest conduit arteries in the human systemic circulation. The parameters required by the numerical algorithm were directly measured in the in vitro setup and no data fitting was involved. The inclusion of wall visco-elasticity in the numerical model reduced the underdamped high-frequency oscillations obtained using a purely elastic tube law, especially in peripheral vessels, which was previously reported in this paper [Matthys et al., 2007. Pulse wave propagation in a model human arterial network: Assessment of 1-D numerical simulations against in vitro measurements. J. Biomech. 40, 3476–3486]. In comparison to the purely elastic model, visco-elasticity significantly reduced the average relative root-mean-square errors between numerical and experimental waveforms over the 70 locations measured in the in vitro model: from 3.0% to 2.5% (p<0.012) for pressure and from 15.7% to 10.8% (p<0.002) for the flow rate. In the frequency domain, average relative errors between numerical and experimental amplitudes from the 5th to the 20th harmonic decreased from 0.7% to 0.5% (p<0.107) for pressure and from 7.0% to 3.3% (p<10−6) for the flow rate. These results provide additional support for the use of 1-D reduced modelling to accurately simulate clinically relevant problems at a reasonable computational cost. PMID:21724188

  2. Simulation of decay heat removal by natural convection in a pool type fast reactor model-ramona-with coupled 1D/2D thermal hydraulic code system

    SciTech Connect

    Kasinathan, N.; Rajakumar, A.; Vaidyanathan, G.; Chetal, S.C.

    1995-09-01

    Post shutdown decay heat removal is an important safety requirement in any nuclear system. In order to improve the reliability of this function, Liquid metal (sodium) cooled fast breeder reactors (LMFBR) are equipped with redundant hot pool dipped immersion coolers connected to natural draught air cooled heat exchangers through intermediate sodium circuits. During decay heat removal, flow through the core, immersion cooler primary side and in the intermediate sodium circuits are also through natural convection. In order to establish the viability and validate computer codes used in making predictions, a 1:20 scale experimental model called RAMONA with water as coolant has been built and experimental simulation of decay heat removal situation has been performed at KfK Karlsruhe. Results of two such experiments have been compiled and published as benchmarks. This paper brings out the results of the numerical simulation of one of the benchmark case through a 1D/2D coupled code system, DHDYN-1D/THYC-2D and the salient features of the comparisons. Brief description of the formulations of the codes are also included.

  3. A survey of electric and hybrid vehicle simulation programs

    NASA Technical Reports Server (NTRS)

    Bevan, J.; Heimburger, D. A.; Metcalfe, M. A.

    1978-01-01

    Results of a survey conducted within the United States to determine the extent of development and capabilities of automotive performance simulation programs suitable for electric and hybrid vehicle studies are summarized. Altogether, 111 programs were identified as being in a usable state. The complexity of the existing programs spans a range from a page of simple desktop calculator instructions to 300,000 lines of a high-level programming language. The capability to simulate electric vehicles was most common, heat-engines second, and hybrid vehicles least common. Batch-operated programs are slightly more common than interactive ones, and one-third can be operated in either mode. The most commonly used language was FORTRAN, the language typically used by engineers. The higher-level simulation languages (e.g. SIMSCRIPT, GPSS, SIMULA) used by "model builders" were conspicuously lacking.

  4. Hybrid-CVFE method for flexible-grid reservoir simulation

    SciTech Connect

    Fung, L.S.K.; Buchanan, L.; Sharma, R. )

    1994-08-01

    Well flows and pressures are the most important boundary conditions in reservoir simulation. In a typical simulation, rapid changes and large pressure, temperature, saturation, and composition gradients occur in near-well regions. Treatment of these near-well phenomena significantly affects the accuracy of reservoir simulation results; therefore, extensive efforts have been devoted to the numerical treatment of wells and near-well flows. The flexible control-volume finite-element (CVFE) method is used to construct hybrid grids. The method involves use of a local cylindrical or elliptical grid to represent near-well flow accurately while honoring complex reservoir boundaries. The grid transition is smooth without any special discretization approximation, which eliminates the grid transition problem experienced with Cartesian local grid refinement and hybrid Cartesian gridding techniques.

  5. Hybrid Numerical Simulations Of Planetesimal Accretion

    NASA Astrophysics Data System (ADS)

    Marzari, Francesco; Weidenschilling, S. J.

    2006-09-01

    The multi-zone simulation code modelling the accretion of planetesimals into planets (Spaute et al. 1991, Icarus 92, 147; Weidenschilling et al. 1997, ICARUS 128, 429) includes a statistical continuum of small bodies in logarithmic mass bins, while large bodies are discrete objects with individual masses and orbits. Formerly, gravitational interactions between large planetary embryos were treated by statistical scattering. The code has now been updated to properly handle the orbits of protoplanets in a deterministic way. The trajectories of the larger bodies are numerically computed with the symplectic integrator SyYMBA. The additional forces acting on the protoplanets due to collisions with smaller planetesimals and their gravitational perturbations, including dynamical friction, as well as gas drag and tidal interaction with the solar nebula, are incorporated in the N-body algorithm by applying a further step in the leap-frog structure of the SyMBA integrator. The changes in the orbital elements of the large bodies, computed in the stochastic part of the code with a Monte Carlo approach, are applied for half a timestep before and after the N-body Hamiltonian propagation as suggested in Lee & Peale (ApJ 567, 596, 2002). With this code we intend to study the effect of dynamical friction on terrestrial planet formation and the accretion of planetary cores in the outer solar system. We will present preliminary results of simulations performed with the updated code.

  6. Battery thermal models for hybrid vehicle simulations

    NASA Astrophysics Data System (ADS)

    Pesaran, Ahmad A.

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

  7. Atomistic hybrid DSMC/NEMD method for nonequilibrium multiscale simulations

    NASA Astrophysics Data System (ADS)

    Gu, Kai; Watkins, Charles B.; Koplik, Joel

    2010-03-01

    A multiscale hybrid method for coupling the direct simulation Monte Carlo (DSMC) method to the nonequilibrium molecular dynamics (NEMD) method is introduced. The method addresses Knudsen layer type gas flows within a few mean free paths of an interface or about an object with dimensions of the order of a few mean free paths. It employs the NEMD method to resolve nanoscale phenomena closest to the interface along with coupled DSMC simulation of the remainder of the Knudsen layer. The hybrid DSMC/NEMD method is a particle based algorithm without a buffer zone. It incorporates a new, modified generalized soft sphere (MGSS) molecular collision model to improve the poor computational efficiency of the traditional generalized soft sphere GSS model and to achieve DSMC compatibility with Lennard-Jones NEMD molecular interactions. An equilibrium gas, a Fourier thermal flow, and an oscillatory Couette flow, are simulated to validate the method. The method shows good agreement with Maxwell-Boltzmann theory for the equilibrium system, Chapman-Enskog theory for Fourier flow, and pure DSMC simulations for oscillatory Couette flow. Speedup in CPU time of the hybrid solver is benchmarked against a pure NEMD solver baseline for different system sizes and solver domain partitions. Finally, the hybrid method is applied to investigate interaction of argon gas with solid surface molecules in a parametric study of the influence of wetting effects and solid molecular mass on energy transfer and thermal accommodation coefficients. It is determined that wetting effect strength and solid molecular mass have a significant impact on the energy transfer between gas and solid phases and thermal accommodation coefficient.

  8. Hybrid simulations with dynamical quarks: Spectra, screening and thermodynamics

    SciTech Connect

    Sinclair, D.K.

    1987-11-18

    We summarize simulations made by the Argonne/University of Illinois group using the Hybrid algorithm to include dynamical staggered fermions. Recent work on the mass spectrum and screening effects due to the inclusion of four light flavors of dynamical quarks is presented. We also present a brief overview of what we have learned about the finite temperature chiral phase transition. 5 refs., 4 figs., 1 tab.

  9. Hybrid Simulations of Plasma-Neutral-Dust Interactions at Enceladus

    SciTech Connect

    Omidi, N.; Russell, C. T.; Jia, Y. D.; Tokar, R. L.; Farrell, W. M.

    2010-12-30

    Through ejection from its southern hemisphere, Enceladus is a dominant source of neutral gas and dust in Saturn's inner magnetosphere. The interaction of the corotating plasma with the gas and dust modifies the plasma environment around Enceladus. We use 3-D hybrid (kinetic ions, fluid electrons) simulations to examine the effects of gas and dust on the nature of the interaction region and use Cassini observations to constrain their properties.

  10. Numerical assessment for a broadband and tuned noise using hybrid mufflers and a simulated annealing method

    NASA Astrophysics Data System (ADS)

    Chiu, Min-Chie

    2013-06-01

    A broadband noise hybridized with pure tones often occurs in practical engineering work. However, assessments of a muffler's optimal shape design that would simultaneously overcome a broadband noise hybridized with multiple tones within a constrained space were rarely addressed. In order to promote the best acoustical performance in mufflers, five kinds of the hybrid mufflers composed of a reactive unit, a dissipative unit, and Helmholtz resonator (HR) units will be proposed. Moreover, to strengthen the noise elimination at the pure tone, mufflers having parallel multiple-sectioned HRs or having multiple HR connections in series (muffler D and muffler E) will be also presented in the noise abatement. On the basis of the plane wave theory, the four-pole system matrix used to evaluate the acoustic performance of a multi-tone hybrid Helmholtz muffler will be presented. A numerical case for eliminating broadband noise hybridized with a pure tone emitted from a machine room using five kinds of mufflers (muffler A-E) will also be introduced. To find the best acoustical performance of a space-constrained muffler, a numerical assessment using a simulated annealing (SA) method is adopted. To verify the availability of the SA optimization, a numerical optimization of muffler A at a pure tone (280 Hz) is exemplified. Before the SA operation can be carried out, the accuracy of the mathematical model will be checked using the experimental data. The influences of the sound transmission loss (STL) with respect to N1-array HR and the STL with respect to one-array HR sectioned in N2 divisions have also been assessed. Also, the influence of the STL with respect to the design parameters such as the ratio of d1/d2, the diameter of the perforated hole (dH), the porosity (p%) of the perforated plate, and the outer diameter (d2) of the dissipative unit has been analyzed. Consequently, a successful approach in eliminating a broadband noise hybridized with a pure tone using optimally

  11. Characteristic of Ion loss as determined by hybrid simulations

    NASA Astrophysics Data System (ADS)

    Brecht, Stephen H.; Ledvina, Stephen

    2016-10-01

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

  12. Development of a Numerical Method for Patient-Specific Cerebral Circulation Using 1D-0D Simulation of the Entire Cardiovascular System with SPECT Data.

    PubMed

    Zhang, Hao; Fujiwara, Naoya; Kobayashi, Masaharu; Yamada, Shigeki; Liang, Fuyou; Takagi, Shu; Oshima, Marie

    2016-08-01

    The detailed flow information in the circle of Willis (CoW) can facilitate a better understanding of disease progression, and provide useful references for disease treatment. We have been developing a one-dimensional-zero-dimensional (1D-0D) simulation method for the entire cardiovascular system to obtain hemodynamics information in the CoW. This paper presents a new method for applying 1D-0D simulation to an individual patient using patient-specific data. The key issue is how to adjust the deviation of physiological parameters, such as peripheral resistance, from literature data when patient-specific geometry is used. In order to overcome this problem, we utilized flow information from single photon emission computed tomography (SPECT) data. A numerical method was developed to optimize physiological parameters by adjusting peripheral cerebral resistance to minimize the difference between the resulting flow rate and the SPECT data in the efferent arteries of the CoW. The method was applied to three cases using different sets of patient-specific data in order to investigate the hemodynamics of the CoW. The resulting flow rates in the afferent arteries were compared to those of the phase-contrast magnetic resonance angiography (PC-MRA) data. Utilization of the SPECT data combined with the PC-MRA data showed a good agreement in flow rates in the afferent arteries of the CoW with those of PC-MRA data for all three cases. The results also demonstrated that application of SPECT data alone could provide the information on the ratios of flow distributions among arteries in the CoW.

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

    NASA Technical Reports Server (NTRS)

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

    1981-01-01

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

  14. From 1D chain to 3D network: a new family of inorganic-organic hybrid semiconductors MO3(L)(x) (M = Mo, W; L = organic linker) built on perovskite-like structure modules.

    PubMed

    Zhang, Xiao; Hejazi, Mehdi; Thiagarajan, Suraj J; Woerner, William R; Banerjee, Debasis; Emge, Thomas J; Xu, Wenqian; Teat, Simon J; Gong, Qihan; Safari, Ahmad; Yang, Ronggui; Parise, John B; Li, Jing

    2013-11-20

    MO3 (M = Mo, W) or VI-VI binary compounds are important semiconducting oxides that show great promise for a variety of applications. In an effort to tune and enhance their properties in a systematic manner we have applied a designing strategy to deliberately introduce organic linker molecules in these perovskite-like crystal lattices. This approach has led to a wealth of new hybrid structures built on one-dimensional (1D) and two-dimensional (2D) VI-VI modules. The hybrid semiconductors exhibit a number of greatly improved properties and new functionality, including broad band gap tunability, negative thermal expansion, largely reduced thermal conductivity, and significantly enhanced dielectric constant compared to their MO3 parent phases.

  15. Hybrid multiscale simulation of a mixing-controlled reaction

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

  16. Multiscale Hy3S: Hybrid stochastic simulation for supercomputers

    PubMed Central

    Salis, Howard; Sotiropoulos, Vassilios; Kaznessis, Yiannis N

    2006-01-01

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

  17. Vlasov Simulations of Ionospheric Heating Near Upper Hybrid Resonance

    NASA Astrophysics Data System (ADS)

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

    2014-12-01

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

  18. A 1-D simulation analysis of the development and maintenance of the 2001 red tide of the ichthyotoxic dinoflagellate Karenia brevis on the West Florida shelf

    NASA Astrophysics Data System (ADS)

    Lenes, J. M.; Darrow, B. P.; Walsh, J. J.; Jolliff, J. K.; Chen, F. R.; Weisberg, R. H.; Zheng, L.

    2012-06-01

    A one-dimensional (1-D) ecological model, HABSIM, examined the initiation and maintenance of the 2001 red tide on the West Florida shelf (WFS). Phytoplankton competition among toxic dinoflagellates (Karenia brevis), nitrogen fixing cyanophytes (Trichodesmium erythraeum), large siliceous phytoplankton (diatoms), and small non-siliceous phytoplankton (microflagellates) explored the sequence of events required to support the observed red tide from August to December 2001. The ecological model contained 24 state variables within five submodels: circulation, atmospheric (iron deposition), bio-optics, pelagic (phytoplankton, nutrients, bacteria, zooplankton, and fish), and benthic (nutrient regeneration). The 2001 model results reaffirmed that diazotrophs are the basis for initiation of red tides of K. brevis on the WFS. A combination of selective grazing pressure, iron fertilization, low molar nitrogen to phosphorus ratios, and eventual silica limitation of fast-growing diatoms set the stage for dominance of nitrogen fixers. "New" nitrogen was made available for subsequent blooms of K. brevis through the release of ammonium and urea during nitrogen fixation, as well as during cell lysis, by the Trichodesmium population. Once K. brevis biomass reached ichthyotoxic levels, rapid decay of subsequent fish kills supplied additional organic nutrients for utilization by these opportunistic toxic algae. Both nutrient vectors represented organic non-siliceous sources of nitrogen and phosphorus, further exacerbating silica limitation of the diatom population. The model reproduced this spring transition from a simple estuarine-driven, diatom-based food chain to a complex summer-fall system of Trichodesmium and toxic dinoflagellates. While the model was able to replicate the initiation and maintenance of the 2001 red tide, bloom termination was not captured by this 1-D form on the WFS. Here, horizontal advection and perhaps cell lysis loss terms might play a significant role, to be

  19. Computational simulation of intermingled-fiber hybrid composite behavior

    NASA Technical Reports Server (NTRS)

    Mital, Subodh K.; Chamis, Christos C.

    1992-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2001-04-01

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

  2. Length scales in multi-resolution (hybrid) turbulence simulations

    NASA Astrophysics Data System (ADS)

    Lakshmipathy, Sunil; Girimaji, Sharath S.

    2007-11-01

    In direct numerical simulations (DNS) of turbulence, the smallest length scale in the flow is of the order of the Kolmogorov length scale η, which is determined from molecular viscosity and dissipation. The grid resolution should be of the order of η. In large eddy simulation (LES), the filter width determines the smallest scale of motion in the simulated field. But what is the smallest scale in hybrid or multi-resolution turbulence computation schemes? In many of these schemes, the filter is implicit, rather than explicit and the filter width is not known. This renders grid resolution studies very difficult, if not impossible in hybrid methods. For such schemes, we propose that the computational Kolmogorov scale which is determined using eddy viscosity and dissipation is the smallest scale of motion. We study the length-scale distribution in severally multi-resolution Partially-averaged Navier-Stokes (PANS) calculations. It is found that the smallest scale is indeed of the order of computational Kolmogorov scale and the length-scale distribution is strikingly similar to that in DNS computations. This finding paves the way for efficient and optimal utility of grid in multi-scale resolution computations. (This work was funded by Sandia Laboratories, Albuquerque, NM)

  3. Simulation-guided DNA probe design for consistently ultraspecific hybridization

    NASA Astrophysics Data System (ADS)

    Wang, Juexiao Sherry; Zhang, David Yu

    2015-07-01

    Hybridization of complementary sequences is one of the central tenets of nucleic acid chemistry; however, the unintended binding of closely related sequences limits the accuracy of hybridization-based approaches to analysing nucleic acids. Thermodynamics-guided probe design and empirical optimization of the reaction conditions have been used to enable the discrimination of single-nucleotide variants, but typically these approaches provide only an approximately 25-fold difference in binding affinity. Here we show that simulations of the binding kinetics are both necessary and sufficient to design nucleic acid probe systems with consistently high specificity as they enable the discovery of an optimal combination of thermodynamic parameters. Simulation-guided probe systems designed against 44 sequences of different target single-nucleotide variants showed between a 200- and 3,000-fold (median 890) higher binding affinity than their corresponding wild-type sequences. As a demonstration of the usefulness of this simulation-guided design approach, we developed probes that, in combination with PCR amplification, detect low concentrations of variant alleles (1%) in human genomic DNA.

  4. Lower Hybrid Drift in Simulations of Hypersonic Plasma

    NASA Astrophysics Data System (ADS)

    Niehoff, D.; Ashour-Abdalla, M.; Niemann, C.; Schriver, D.; Sotnikov, V. I.; Lapenta, G.

    2014-12-01

    It has been shown experimentally that hypersonic plasma (defined as moving with a bulk flow velocity of more than 5 to 10 times the Mach speed) traveling through a magnetic field will create a diamagnetic cavity, or bubble [1]. At the edge of the bubble, opposing field and density gradients can drive the lower hybrid drift instability [2]. We will explore two and a half dimensional (2 space and 3 velocity dimensions) simulations of hypersonic plasma within a parameter regime motivated by the aforementioned diamagnetic bubble experiments, wherein we find oscillations excited near the lower hybrid frequency propagating perpendicular to the bulk motion of the plasma and the background magnetic field. The simulations are run using the implicit PIC code iPIC3D so that we are able to capture dynamics of the plasma below ion scales, but not be forced to resolve all electron scales [3]. [1] Niemann et al, Phys. Plasmas 20, 012108 (2013) [2] Davidson et al, Phys. Fluids, Vol. 20, No. 2, February 1977 [3] S. Markidis et al, Math. Comput. Simul. (2009), doi 10.1016/j.matcom.2009.08.038

  5. Hybrid Multiscale Simulation of a Mixing-Controlled Reaction

    NASA Astrophysics Data System (ADS)

    Yang, X.; Scheibe, T. D.; Schuchardt, K.; Agarwal, K.; Chase, J.; Palmer, B. J.; Tartakovsky, A. M.; Elsethagen, T.

    2014-12-01

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

  6. Predicting System Accidents with Model Analysis During Hybrid Simulation

    NASA Technical Reports Server (NTRS)

    Malin, Jane T.; Fleming, Land D.; Throop, David R.

    2002-01-01

    Standard discrete event simulation is commonly used to identify system bottlenecks and starving and blocking conditions in resources and services. The CONFIG hybrid discrete/continuous simulation tool can simulate such conditions in combination with inputs external to the simulation. This provides a means for evaluating the vulnerability to system accidents of a system's design, operating procedures, and control software. System accidents are brought about by complex unexpected interactions among multiple system failures , faulty or misleading sensor data, and inappropriate responses of human operators or software. The flows of resource and product materials play a central role in the hazardous situations that may arise in fluid transport and processing systems. We describe the capabilities of CONFIG for simulation-time linear circuit analysis of fluid flows in the context of model-based hazard analysis. We focus on how CONFIG simulates the static stresses in systems of flow. Unlike other flow-related properties, static stresses (or static potentials) cannot be represented by a set of state equations. The distribution of static stresses is dependent on the specific history of operations performed on a system. We discuss the use of this type of information in hazard analysis of system designs.

  7. Real-time simulation of the TF30-P-3 turbofan engine using a hybrid computer

    NASA Technical Reports Server (NTRS)

    Szuch, J. R.; Bruton, W. M.

    1974-01-01

    A real-time, hybrid-computer simulation of the TF30-P-3 turbofan engine was developed. The simulation was primarily analog in nature but used the digital portion of the hybrid computer to perform bivariate function generation associated with the performance of the engine's rotating components. FORTRAN listings and analog patching diagrams are provided. The hybrid simulation was controlled by a digital computer programmed to simulate the engine's standard hydromechanical control. Both steady-state and dynamic data obtained from the digitally controlled engine simulation are presented. Hybrid simulation data are compared with data obtained from a digital simulation provided by the engine manufacturer. The comparisons indicate that the real-time hybrid simulation adequately matches the baseline digital simulation.

  8. Bioinspired, Highly Stretchable, and Conductive Dry Adhesives Based on 1D-2D Hybrid Carbon Nanocomposites for All-in-One ECG Electrodes.

    PubMed

    Kim, Taehoon; Park, Junyong; Sohn, Jongmoo; Cho, Donghwi; Jeon, Seokwoo

    2016-04-26

    Here we propose a concept of conductive dry adhesives (CDA) combining a gecko-inspired hierarchical structure and an elastomeric carbon nanocomposite. To complement the poor electrical percolation of 1D carbon nanotube (CNT) networks in an elastomeric matrix at a low filler content (∼1 wt %), a higher dimensional carbon material (i.e., carbon black, nanographite, and graphene nanopowder) is added into the mixture as an aid filler. The co-doped graphene and CNT in the composite show the lowest volume resistance (∼100 ohm·cm) at an optimized filler ratio (1:9, total filler content: 1 wt %) through a synergetic effect in electrical percolation. With an optimized conductive elastomer, gecko-inspired high-aspect-ratio (>3) microstructures over a large area (∼4 in.(2)) are successfully replicated from intaglio-patterned molds without collapse. The resultant CDA pad shows a high normal adhesion force (∼1.3 N/cm(2)) even on rough human skin and an excellent cycling property for repeatable use over 30 times without degradation of adhesion force, which cannot be achieved by commercial wet adhesives. The body-attachable CDA can be used as a metal-free, all-in-one component for measuring biosignals under daily activity conditions (i.e., underwater, movements) because of its superior conformality and water-repellent characteristic.

  9. Hybrid simulation codes with application to shocks and upstream waves

    NASA Technical Reports Server (NTRS)

    Winske, D.

    1985-01-01

    Hybrid codes in which part of the plasma is represented as particles and the rest as a fluid are discussed. In the past few years such codes with particle ions and massless, fluid electrons have been applied to space plasmas, especially to collisionless shocks. All of these simulation codes are one-dimensional and similar in structure, except for how the field equations are solved. The various approaches that are used (resistive Ohm's law, predictor-corrector, Hamiltonian) are described in detail and results from the various codes are compared with examples taken from collisionless shocks and low frequency wave phenomena upstream of shocks.

  10. On the potential for CO2 mineral storage in continental flood basalts - PHREEQC batch- and 1D diffusion-reaction simulations.

    PubMed

    Van Pham, Thi Hai; Aagaard, Per; Hellevang, Helge

    2012-06-14

    Continental flood basalts (CFB) are considered as potential CO2 storage sites because of their high reactivity and abundant divalent metal ions that can potentially trap carbon for geological timescales. Moreover, laterally extensive CFB are found in many place in the world within reasonable distances from major CO2 point emission sources.Based on the mineral and glass composition of the Columbia River Basalt (CRB) we estimated the potential of CFB to store CO2 in secondary carbonates. We simulated the system using kinetic dependent dissolution of primary basalt-minerals (pyroxene, feldspar and glass) and the local equilibrium assumption for secondary phases (weathering products). The simulations were divided into closed-system batch simulations at a constant CO2 pressure of 100 bar with sensitivity studies of temperature and reactive surface area, an evaluation of the reactivity of H2O in scCO2, and finally 1D reactive diffusion simulations giving reactivity at CO2 pressures varying from 0 to 100 bar.Although the uncertainty in reactive surface area and corresponding reaction rates are large, we have estimated the potential for CO2 mineral storage and identified factors that control the maximum extent of carbonation. The simulations showed that formation of carbonates from basalt at 40 C may be limited to the formation of siderite and possibly FeMg carbonates. Calcium was largely consumed by zeolite and oxide instead of forming carbonates. At higher temperatures (60 - 100 C), magnesite is suggested to form together with siderite and ankerite. The maximum potential of CO2 stored as solid carbonates, if CO2 is supplied to the reactions unlimited, is shown to depend on the availability of pore space as the hydration and carbonation reactions increase the solid volume and clog the pore space. For systems such as in the scCO2 phase with limited amount of water, the total carbonation potential is limited by the amount of water present for hydration of basalt.

  11. On the potential for CO2 mineral storage in continental flood basalts – PHREEQC batch- and 1D diffusion–reaction simulations

    PubMed Central

    2012-01-01

    Continental flood basalts (CFB) are considered as potential CO2 storage sites because of their high reactivity and abundant divalent metal ions that can potentially trap carbon for geological timescales. Moreover, laterally extensive CFB are found in many place in the world within reasonable distances from major CO2 point emission sources. Based on the mineral and glass composition of the Columbia River Basalt (CRB) we estimated the potential of CFB to store CO2 in secondary carbonates. We simulated the system using kinetic dependent dissolution of primary basalt-minerals (pyroxene, feldspar and glass) and the local equilibrium assumption for secondary phases (weathering products). The simulations were divided into closed-system batch simulations at a constant CO2 pressure of 100 bar with sensitivity studies of temperature and reactive surface area, an evaluation of the reactivity of H2O in scCO2, and finally 1D reactive diffusion simulations giving reactivity at CO2 pressures varying from 0 to 100 bar. Although the uncertainty in reactive surface area and corresponding reaction rates are large, we have estimated the potential for CO2 mineral storage and identified factors that control the maximum extent of carbonation. The simulations showed that formation of carbonates from basalt at 40 C may be limited to the formation of siderite and possibly FeMg carbonates. Calcium was largely consumed by zeolite and oxide instead of forming carbonates. At higher temperatures (60 – 100 C), magnesite is suggested to form together with siderite and ankerite. The maximum potential of CO2 stored as solid carbonates, if CO2 is supplied to the reactions unlimited, is shown to depend on the availability of pore space as the hydration and carbonation reactions increase the solid volume and clog the pore space. For systems such as in the scCO2 phase with limited amount of water, the total carbonation potential is limited by the amount of water present for hydration of basalt

  12. The 5-HT1D/1B receptor agonist sumatriptan enhances fear of simulated speaking and reduces plasma levels of prolactin.

    PubMed

    de Rezende, Marcos Gonçalves; Garcia-Leal, Cybele; Graeff, Frederico Guilherme; Del-Ben, Cristina Marta

    2013-12-01

    This study measured the effects of the preferential 5-HT1D/1B receptor agonist sumatriptan in healthy volunteers who performed the Simulated Public Speaking Test (SPST), which recruits the neural network involved in panic disorder and social anxiety disorder. In a double-blind, randomised experiment, 36 males received placebo (12), 50 mg (12) or 100 mg (12) of sumatriptan 2 h before the SPST. Subjective, physiological and hormonal measures were taken before, during and after the test. The dose of 100 mg of sumatriptan increased speech-induced fear more than either a 50mg dose of the drug or placebo. The largest dose of sumatriptan also enhanced vigilance more than placebo, without any change in blood pressure, heart rate or electrical skin conductance. Sumatriptan decreased plasma levels of prolactin. A significant but moderate increase in plasma cortisol after SPST occurred, independent of treatment. Because sumatriptan decreases 5-HT release into the extracellular space, the potentiation of SPST-induced fear caused by the drug supports the hypothesis that 5-HT attenuates this emotional state. As acute administration of antidepressants has also been shown to enhance speaking fear and increase plasma prolactin, in contrast to sumatriptan, the 5-HT regulation of stress-hormone release is likely to be different from that of emotion.

  13. Hybrid molecular dynamics simulation for plasma induced damage analysis

    NASA Astrophysics Data System (ADS)

    Matsukuma, Masaaki

    2016-09-01

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

  14. Hybrid Particle Code Simulations of Mars: The Energy Budget.

    NASA Astrophysics Data System (ADS)

    Brecht, S. H.; Ledvina, S. A.

    2015-12-01

    The results of our latest hybrid particle simulations using the HALFSHEL code are discussed. The presentation will address the energy budget of the solar wind interaction with Mars. The simulations produce loss rates that are very consistent with measured data, Brecht and Ledvina [2014], therefore inspection of the details of the interaction is now warranted. This paper will address the relationship between the energy flowing into the planet and the energy flowing away from the planet. The partition of the energy between fields, and individual ion species will be addressed as well as the amount of energy deposited in the neutral atmosphere by incoming solar wind plasma and during the process of ion loss caused by acceleration via electric fields. Brecht, S.H. and S.A. Ledvina (2014), "The role of the Martian crustal magnetic fields in controlling ionospheric loss," Geophys. Res. Lett., 41, 5340-5346, doi:10.1002/2014GL060841.

  15. Flow Simulation of N2B Hybrid Wing Body Configuration

    NASA Technical Reports Server (NTRS)

    Kim, Hyoungjin; Liou, Meng-Sing

    2012-01-01

    The N2B hybrid wing body aircraft was conceptually designed to meet environmental and performance goals for the N+2 generation transport set by the subsonic fixed wing project. In this study, flow fields around the N2B configuration is simulated using a Reynolds-averaged Navier-Stokes flow solver using unstructured meshes. Boundary conditions at engine fan face and nozzle exhaust planes are provided by response surfaces of the NPSS thermodynamic engine cycle model. The present flow simulations reveal challenging design issues arising from boundary layer ingestion offset inlet and nacelle-airframe interference. The N2B configuration can be a good test bed for application of multidisciplinary design optimization technology.

  16. Gradient Drift Instabilities in Two Dimensional Hybrid Hall Thruster Simulations

    NASA Astrophysics Data System (ADS)

    Aley, Jacob; Dowdy, Caleb; Fernandez, Eduardo

    2014-10-01

    Instabilities triggered by a variety of mechanisms have been theoretically predicted for Hall thruster plasmas. Experimentally, fluctuations spanning a wide range of frequencies and wave numbers have been observed. Perhaps more importantly, fluctuations have been postulated to play a role in regulating cross-field electron transport in Hall thrusters. However, a clear understanding of what instabilities are responsible for such transport is presently lacking. In this work we focus on analysis of long wavelength gradient drift instability in the Hall thruster via two dimensional hybrid fluid-PIC simulations that resolve azimuthal dynamics. Recent theoretical analysis by Frias et al. shows that previous stability criteria for drift instabilities are modified due to compressibility of the electron flow. In our simulations, we test this improved criterion by examining the transient waves that emerge in the simulation from a smooth initial condition. The simulations give good agreement with the theory, both in the frequency/growth rate characteristics of the waves as well as the region of the thruster where such disturbances are predicted to emerge. These results suggest that gradient drift instabilities play a significant role in Hall thruster plasmas. Jacob Aley, Caleb Dowdy, and Eduardo Fernandez are supported by a grant from the II-VI Foundation.

  17. Hybrid Long-Range Collision Avoidance for Crowd Simulation.

    PubMed

    Golas, Abhinav; Narain, Rahul; Curtis, Sean; Lin, Ming C

    2014-07-01

    Local collision avoidance algorithms in crowd simulation often ignore agents beyond a neighborhood of a certain size. This cutoff can result in sharp changes in trajectory when large groups of agents enter or exit these neighborhoods. In this work, we exploit the insight that exact collision avoidance is not necessary between agents at such large distances, and propose a novel algorithm for extending existing collision avoidance algorithms to perform approximate, long-range collision avoidance. Our formulation performs long-range collision avoidance for distant agent groups to efficiently compute trajectories that are smoother than those obtained with state-of-the-art techniques and at faster rates. Comparison to real-world data demonstrates that crowds simulated with our algorithm exhibit an improved speed sensitivity to density similar to human crowds. Another issue often sidestepped in existing work is that discrete and continuum collision avoidance algorithms have different regions of applicability. For example, low-density crowds cannot be modeled as a continuum, while high-density crowds can be expensive to model using discrete methods. We formulate a hybrid technique for crowd simulation which can accurately and efficiently simulate crowds at any density with seamless transitions between continuum and discrete representations. Our approach blends results from continuum and discrete algorithms, based on local density and velocity variance. In addition to being robust across a variety of group scenarios, it is also highly efficient, running at interactive rates for thousands of agents on portable systems.

  18. A Hybrid Demand Response Simulator Version 1.0

    SciTech Connect

    2012-05-02

    A hybrid demand response simulator is developed to test different control algorithms for centralized and distributed demand response (DR) programs in a small distribution power grid. The HDRS is designed to model a wide variety of DR services such as peak having, load shifting, arbitrage, spinning reserves, load following, regulation, emergency load shedding, etc. The HDRS does not model the dynamic behaviors of the loads, rather, it simulates the load scheduling and dispatch process. The load models include TCAs (water heaters, air conditioners, refrigerators, freezers, etc) and non-TCAs (lighting, washer, dishwasher, etc.) The ambient temperature changes, thermal resistance, capacitance, and the unit control logics can be modeled for TCA loads. The use patterns of the non-TCA can be modeled by probability of use and probabilistic durations. Some of the communication network characteristics, such as delays and errors, can also be modeled. Most importantly, because the simulator is modular and greatly simplified the thermal models for TCA loads, it is very easy and fast to be used to test and validate different control algorithms in a simulated environment.

  19. Comparison between 1D and 1 1/2D Eulerian Vlasov codes for the numerical simulation of stimulated Raman scattering

    NASA Astrophysics Data System (ADS)

    Ghizzo, A.; Bertrand, P.; Lebas, J.; Shoucri, M.; Johnston, T.; Fijalkow, E.; Feix, M. R.

    1992-10-01

    The present 1 1/2D relativistic Euler-Vlasov code has been used to check the validity of a hydrodynamic description used in a 1D version of the Vlasov code. By these means, detailed numerical results can be compared; good agreement furnishes full support for the 1D electromagnetic Vlasov code, which runs faster than the 1 1/2D code. The results obtained assume a nonrelativistic v(y) velocity.

  20. Accelerating Climate and Weather Simulations through Hybrid Computing

    NASA Technical Reports Server (NTRS)

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

    2011-01-01

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

  1. 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.

  2. The generation and evolution of multi-band EMIC waves in the magnetosphere: Hybrid simulations

    NASA Astrophysics Data System (ADS)

    Guo, Jun

    2016-12-01

    Electromagnetic ion cyclotron (EMIC) waves have played an important role in loss and acceleration of charged particles in the magnetosphere. In this paper, with a 1-D hybrid simulation model, we have studied the generation and evolution of multi-band EMIC waves in a homogenous multi-ion (protons and helium ions) plasma, where the waves are excited by the anisotropic hot protons, and the effects of the anisotropy of hot protons, concentration, and temperature of helium ions on the excited EMIC wave spectrum are considered. In the early phase of the cyclotron instability, the multi-band EMIC waves with a clear stop band around the helium ion gyrofrequency are preferentially generated under the condition of a lower anisotropy of hot protons, smaller concentration of helium ions, and colder helium ions, which is consistent with the linear theory. What's more, it is found that both the frequencies and wave numbers of EMIC waves will decrease with time, which is then proved to be a quasi-linear process caused by the decrease of anisotropy of hot protons. Meanwhile, the standing density structures will be generated in the system, which is due to the coupling between counter-propagating EMIC waves. Our simulations suggest that the linear theory should be valid to describe both generation and evolution of EMIC waves in the Earth's magnetosphere.

  3. Real-time hybrid computer simulation of a small turboshaft engine and control system

    NASA Technical Reports Server (NTRS)

    Hart, C. E.; Wenzel, L. M.

    1984-01-01

    The development of an analytical model of a small turboshaft engine designed for helicopter propulsion systems is described. The model equations were implemented on a hybrid computer system to provide a real time nonlinear simulation of the engine performance over a wide operating range. The real time hybrid simulation of the engine was used to evaluate a microprocessor based digital control module. This digital control module was developed as part of an advanced rotorcraft control program. After tests with the hybrid engine simulation the digital control module was used to control a real engine in an experimental program. A hybrid simulation of the engine's electrical hydromechanical control system was developed. This allowed to vary the fuel flow and torque load inputs to the hybrid engine simulation for simulating transient operation. A steady-state data and the experimental tests are compared. Analytical model equations, analog computer diagrams, and a digital computer flow chart are included.

  4. A new approach to flow simulation using hybrid models

    NASA Astrophysics Data System (ADS)

    Solgi, Abazar; Zarei, Heidar; Nourani, Vahid; Bahmani, Ramin

    2017-01-01

    The necessity of flow prediction in rivers, for proper management of water resource, and the need for determining the inflow to the dam reservoir, designing efficient flood warning systems and so forth, have always led water researchers to think about models with high-speed response and low error. In the recent years, the development of Artificial Neural Networks and Wavelet theory and using the combination of models help researchers to estimate the river flow better and better. In this study, daily and monthly scales were used for simulating the flow of Gamasiyab River, Nahavand, Iran. The first simulation was done using two types of ANN and ANFIS models. Then, using wavelet theory and decomposing input signals of the used parameters, sub-signals were obtained and were fed into the ANN and ANFIS to obtain hybrid models of WANN and WANFIS. In this study, in addition to the parameters of precipitation and flow, parameters of temperature and evaporation were used to analyze their effects on the simulation. The results showed that using wavelet transform improved the performance of the models in both monthly and daily scale. However, it had a better effect on the monthly scale and the WANFIS was the best model.

  5. Hybrid Long-Range Collision Avoidance for Crowd Simulation.

    PubMed

    Golas, Abhinav; Narain, Rahul; Curtis, Sean; Lin, Ming C

    2013-09-26

    Local collision avoidance algorithms in crowd simulation often ignore agents beyond a neighborhood of a certain size. This cutoff can result in sharp changes in trajectory when large groups of agents enter or exit these neighborhoods. In this work, we exploit the insight that exact collision avoidance is not necessary between agents at such large distances, and propose a novel algorithm for extending existing collision avoidance algorithms to perform approximate, long-range collision avoidance. Our formulation performs long-range collision avoidance for distant agent groups to efficiently compute trajectories that are smoother than those obtained with state-of-the-art techniques and at faster rates. Another issue often sidestepped in existing work is that discrete and continuum collision avoidance algorithms have different regions of applicability. For example, low-density crowds cannot be modeled as a continuum, while high-density crowds can be expensive to model using discrete methods. We formulate a hybrid technique for crowd simulation which can accurately and efficiently simulate crowds at any density with seamless transitions between continuum and discrete representations. Our approach blends results from continuum and discrete algorithms, based on local density and velocity variance. In addition to being robust across a variety of group scenarios, it is also highly efficient, running at interactive rates for thousands of agents on portable systems.

  6. Hybrid framework for the simulation of stochastic chemical kinetics

    NASA Astrophysics Data System (ADS)

    Duncan, Andrew; Erban, Radek; Zygalakis, Konstantinos

    2016-12-01

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

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

    NASA Astrophysics Data System (ADS)

    Drescher, H.-J.; Farrar, Glennys; Bleicher, Marcus; Reiter, Manuel; Soff, Sven; Stoecker, Horst

    2003-07-01

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

  8. Hybrid electromagnetic transient simulation with the state variable representation of HVDC converter plant

    SciTech Connect

    Zavahir, J.M.; Arrillaga, J.; Watson, N.R. )

    1993-07-01

    The two alternative methods in current use for the transient simulation of HVdc power systems are Electromagnetic Transient Programs and State Variable Analysis. A hybrid algorithm is described in this paper which combines the two methods selecting their best features. The relative performances of conventional and hybrid algorithms are discussed. Simulation results of typical back-to back HVdc link show that the hybrid representation provides more stable, accurate and efficient solutions.

  9. A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations

    SciTech Connect

    Scheibe, Timothy D.; Yang, Xiaofan; Chen, Xingyuan; Hammond, Glenn E.

    2015-06-01

    Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, or system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application

  10. A Hybrid Multiscale Framework for Subsurface Flow and Transport Simulations

    DOE PAGES

    Scheibe, Timothy D.; Yang, Xiaofan; Chen, Xingyuan; ...

    2015-06-01

    Extensive research efforts have been invested in reducing model errors to improve the predictive ability of biogeochemical earth and environmental system simulators, with applications ranging from contaminant transport and remediation to impacts of biogeochemical elemental cycling (e.g., carbon and nitrogen) on local ecosystems and regional to global climate. While the bulk of this research has focused on improving model parameterizations in the face of observational limitations, the more challenging type of model error/uncertainty to identify and quantify is model structural error which arises from incorrect mathematical representations of (or failure to consider) important physical, chemical, or biological processes, properties, ormore » system states in model formulations. While improved process understanding can be achieved through scientific study, such understanding is usually developed at small scales. Process-based numerical models are typically designed for a particular characteristic length and time scale. For application-relevant scales, it is generally necessary to introduce approximations and empirical parameterizations to describe complex systems or processes. This single-scale approach has been the best available to date because of limited understanding of process coupling combined with practical limitations on system characterization and computation. While computational power is increasing significantly and our understanding of biological and environmental processes at fundamental scales is accelerating, using this information to advance our knowledge of the larger system behavior requires the development of multiscale simulators. Accordingly there has been much recent interest in novel multiscale methods in which microscale and macroscale models are explicitly coupled in a single hybrid multiscale simulation. A limited number of hybrid multiscale simulations have been developed for biogeochemical earth systems, but they mostly utilize application

  11. A wind turbine hybrid simulation framework considering aeroelastic effects

    NASA Astrophysics Data System (ADS)

    Song, Wei; Su, Weihua

    2015-04-01

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

  12. A hybrid model for simulation of secondary electron emission in plasma immersion ion implantation under different pulse rise time

    SciTech Connect

    Navab Safa, N. Ghomi, H.

    2015-02-15

    A hybrid fluid Particle in Cell–Monte Carlo Collision (PiC–MCC) model is presented to study the effect of secondary electron emission on the plasma immersion ion implantation process under different pulse rise time. The model describes the temporal evolution of various parameters of plasma such as ion density, ion velocity, secondary electron density, and secondary electron current for different rise times. A 3D–3 V PiC–MCC model is developed to simulate the secondary electrons which are emitted from the sample surface while the plasma ions and electrons are treated using a 1D fluid model. The simulation results indicate that the secondary electron density and secondary electron current increase as the rise time decreases. The main differences between the results for different rise times are found during the initial phase of the pulse. The results are explained through studying the fundamental parameters of plasma.

  13. Control of a simulated wheelchair based on a hybrid brain computer interface.

    PubMed

    Long, Jinyi; Li, Yuanqing; Wang, Hongtao; Yu, Tianyou; Pan, Jiahui

    2012-01-01

    In this paper, a hybrid BCI system was described for the control of a simulated wheelchair. This hybrid BCI was based on the motor imagery-based mu rhythm and the P300 potential. With our paradigm, the user may perform left- or right-hand imagery to control the direction (left or right turn) of the simulated wheelchair. Furthermore, a hybrid manner was used for speed control: e.g., foot imagery without button attention for deceleration and a specific button attention without any motor imagery for acceleration. An experiment based on a simulated wheelchair in virtual environment was conducted to assess the BCI control. Subjects effectively steered the simulated wheelchairs by controlling the direction and speed with our hybrid BCI system. Data analysis validated that our hybrid BCI system can be used to control the direction and speed of a simulated wheelchair.

  14. Ab initio liquid water from PBE0 hybrid functional simulations

    NASA Astrophysics Data System (ADS)

    Li, Zhaofeng; Wu, Xifan; Car, Roberto

    2010-03-01

    For reasons of computational efficiency, so far most ab initio molecular dynamics simulations of liquid water have been based on semi-local density functional approximations, such as PBE and BLYP. These approaches yield a liquid structure that, albeit qualitatively correct, is overstructured compared to experiment, even after nuclear quantum effects have been taken into account.footnotetextJ. A. Morrone and R. Car, Phys. Rev. Lett. 101, 017801(2008) A major cause of this inaccuracy is the delocalization error associated to semi-local density functional approximations, which, as a consequence, overestimate slightly the hydrogen bond strength in the liquid. In this work we adopt the PBE0 hybrid functional approximation, which, by mixing a fraction of exact (Hartree-Fock) exchange, reduces significantly the delocalization error of semi-local functionals. Our approach is based on a numerically efficient order-N implementation of exact exchange.footnotetextX. Wu, A. Selloni, and R. Car, Phys. Rev. B 79, 085102(2009) We find that PBE0 systematically improves the agreement of the simulated liquid with experiment. Our conclusion is substantiated by the calculated radial distribution functions, H-bond statistics, and molecular dipole distribution.

  15. Free-boundary simulation of ITER hybrid scenario

    NASA Astrophysics Data System (ADS)

    Kim, S. H.; Lister, J. B.; Artaud, J.-F.; Basiuk, V.; Dokouka, V.; Khayrutdinov, R. R.; Lukash, V. E.

    2006-10-01

    A free-boundary plasma evolution code, DINA-CH, and an advanced core transport code, CRONOS, are combined for the simulations of ITER plasma which require both self-consistent magnetic and kinetic computations. DINA-CH calculates the evolution of a free-boundary plasma equilibrium while taking into account the variation of externally induced currents in the full tokamak system. CRONOS directly makes use of it for the computation of heat and particle sources and their transport. Advanced source and physics based transport models in CRONOS have been used for simulations. Diagnostic models are integrated into DINA-CH for increasing the capability of realistic equilibrium and plasma profile control. For the investigation of fast free-boundary features without degrading the computational performance of either code, additional control of the computation time-steps of the source models has been developed. The free-boundary evolution of the ITER hybrid scenario during the flat-top phase is presented as an illustration of this work.

  16. Quantum Simulations of Solvated Biomolecules Using Hybrid Methods

    NASA Astrophysics Data System (ADS)

    Hodak, Miroslav

    2009-03-01

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

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

    NASA Astrophysics Data System (ADS)

    Baylin-Stern, Adam C.

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

  18. Real-time simulation of an automotive gas turbine using the hybrid computer

    NASA Technical Reports Server (NTRS)

    Costakis, W.; Merrill, W. C.

    1984-01-01

    A hybrid computer simulation of an Advanced Automotive Gas Turbine Powertrain System is reported. The system consists of a gas turbine engine, an automotive drivetrain with four speed automatic transmission, and a control system. Generally, dynamic performance is simulated on the analog portion of the hybrid computer while most of the steady state performance characteristics are calculated to run faster than real time and makes this simulation a useful tool for a variety of analytical studies.

  19. Integrating models to simulate emergent behaviour: effects of organic matter on soil hydraulics in the ICZ-1D soil-vegetation model

    NASA Astrophysics Data System (ADS)

    Valstar, Johan; Rowe, Ed; Konstantina, Moirogiorgou; Giannakis, Giorgos; Nikolaidis, Nikolaos

    2014-05-01

    explore the complex interactions involved in soil development and change. We were unable to identify appropriately-detailed existing models for plant productivity and for the dynamics of soil aggregation and porosity, and so developed the PROSUM and CAST models, respectively, to simulate these subsystems. Moreover, we applied the BRNS generator to obtain a chemical equilibrium model. These were combined with HYDRUS-1D (water and solute transport), a weathering model (derived from the SAFE model) and a simple bioturbation model. The model includes several feedbacks, such as the effect of soil organic matter on water retention and hydraulic conductivity. We encountered several important challenges when building the integrated model. First, a mechanism was developed that initiates the execution of a single time step for an individual sub-model and accounts for the relevant mass transfers between sub-models. This allows for different and sometimes variable time step duration in the submodels. Secondly, we removed duplicated processes and identified and included relevant solute production terms that had been neglected. The model is being tested against datasets obtained from several Soil Critical Zone Observatories in Europe. This contribution focuses on the design strategy for the model.

  20. Modeling and simulation of a hybrid ship power system

    NASA Astrophysics Data System (ADS)

    Doktorcik, Christopher J.

    2011-12-01

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

  1. Broadband ground-motion simulation using a hybrid approach

    USGS Publications Warehouse

    Graves, R.W.; Pitarka, A.

    2010-01-01

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

  2. Simulation Concept - How to Exploit Tools for Computing Hybrids

    DTIC Science & Technology

    2009-07-01

    multiphysics design tools (Simulation of Biological Systems - SIMBIOSYS ), provide an open source environment for biological simulation tools (Bio...SCHETCH Simulation Concept – How to Exploit Tools for Computing Project SIMBIOSYS Simulation of Biological Systems Program SPICE Simulation

  3. A hybrid model to simulate the annual runoff of the Kaidu River in northwest China

    NASA Astrophysics Data System (ADS)

    Xu, Jianhua; Chen, Yaning; Bai, Ling; Xu, Yiwen

    2016-04-01

    Fluctuant and complicated hydrological processes can result in the uncertainty of runoff forecasting. Thus, it is necessary to apply the multi-method integrated modeling approaches to simulate runoff. Integrating the ensemble empirical mode decomposition (EEMD), the back-propagation artificial neural network (BPANN) and the nonlinear regression equation, we put forward a hybrid model to simulate the annual runoff (AR) of the Kaidu River in northwest China. We also validate the simulated effects by using the coefficient of determination (R2) and the Akaike information criterion (AIC) based on the observed data from 1960 to 2012 at the Dashankou hydrological station. The average absolute and relative errors show the high simulation accuracy of the hybrid model. R2 and AIC both illustrate that the hybrid model has a much better performance than the single BPANN. The hybrid model and integrated approach elicited by this study can be applied to simulate the annual runoff of similar rivers in northwest China.

  4. Simulating the Household Plug-in Hybrid Electric Vehicle Distribution and its Electric Distribution Network Impacts

    SciTech Connect

    Cui, Xiaohui; Kim, Hoe Kyoung; Liu, Cheng; Kao, Shih-Chieh; Bhaduri, Budhendra L

    2012-01-01

    This paper presents a multi agent-based simulation framework for modeling spatial distribution of plug-in hybrid electric vehicle ownership at local residential level, discovering plug-in hybrid electric vehicle hot zones where ownership may quickly increase in the near future, and estimating the impacts of the increasing plug-in hybrid electric vehicle ownership on the local electric distribution network with different charging strategies. We use Knox County, Tennessee as a case study to highlight the simulation results of the agent-based simulation framework.

  5. One-dimensional hybrid-direct kinetic simulation of the discharge plasma in a Hall thruster

    SciTech Connect

    Hara, Kentaro; Boyd, Iain D.; Kolobov, Vladimir I.

    2012-11-15

    In order to model the non-equilibrium plasma within the discharge region of a Hall thruster, the velocity distribution functions (VDFs) must be obtained accurately. A direct kinetic (DK) simulation method that directly solves the plasma Boltzmann equation can achieve better resolution of VDFs in comparison to particle simulations, such as the particle-in-cell (PIC) method that inherently include statistical noise. In this paper, a one-dimensional hybrid-DK simulation, which uses a DK simulation for heavy species and a fluid model for electrons, is developed and compared to a hybrid-PIC simulation. Time-averaged results obtained from the hybrid-DK simulation are in good agreement with hybrid-PIC results and experimental data. It is shown from a comparison of using a kinetic simulation and solving the continuity equation that modeling of the neutral atoms plays an important role for simulations of the Hall thruster discharge plasma. In addition, low and high frequency plasma oscillations are observed. Although the kinetic nature of electrons is not resolved due to the use of a fluid model, the hybrid-DK model provides spatially and temporally well-resolved plasma properties and an improved resolution of VDFs for heavy species with less statistical noise in comparison to the hybrid-PIC method.

  6. Design and simulation of a hybrid dielectric waveguide

    NASA Astrophysics Data System (ADS)

    Aryal, Krishna Prasad

    Waveguides, in general are used as a means to route photons. Traditional dielectric waveguides, composed of a high index core surrounded by a low index cladding, produce maximum field intensities far from dielectric interfaces. This thesis presents the design of a plasmonic enhanced waveguide, which relocates the maximum optical field intensity from the center of the waveguide to an interfacial region defined by a dielectric and a negative index material. This is accomplished through the use of a metal film, positioned on top of a traditional ridge waveguide in those places where one wishes to excite a plasmon mode as opposed to the more traditional dielectric mode. Plasmon modes have their highest field intensity at the interface located between the metal and the dielectric. In this thesis, the waveguide dimensions of a hybrid dielectric waveguide are determined with the intent of producing single mode operation for a ridge waveguide with and without metal on top. A commercial Eigen mode solver (MODE Lumerical) is used to obtain all field profiles, waveguide effective index and waveguide loss. Multiple simulations were used to design a waveguide, which supports a single plasmonic mode when the metal film is in place and a single dielectric mode when the metal film is absent. Such a waveguide is expected to find use in the field of integrated quantum optics where quantum dots, defined by near surface confining potentials, require high interfacial fields for maximum dot/field interactions. Further, based on the final waveguide design height of ( 5microm ) and width of ( 7.9microm ), an effective index of ( 3.687 ) results when operated in the plasmon mode and (3.619) when operated in dielectric mode. This change in refractive index suggests such hybrid dielectric/plasmon waveguides can be used for the design of Bragg reflectors leading to plasmonic cavities, which, when coupled to the proposed near surface located quantum dots, can be used for the production and

  7. Calibration of a 1D/1D urban flood model using 1D/2D model results in the absence of field data.

    PubMed

    Leandro, J; Djordjević, S; Chen, A S; Savić, D A; Stanić, M

    2011-01-01

    Recently increased flood events have been prompting researchers to improve existing coupled flood-models such as one-dimensional (1D)/1D and 1D/two-dimensional (2D) models. While 1D/1D models simulate sewer and surface networks using a one-dimensional approach, 1D/2D models represent the surface network by a two-dimensional surface grid. However their application raises two issues to urban flood modellers: (1) stormwater systems planning/emergency or risk analysis demands for fast models, and the 1D/2D computational time is prohibitive, (2) and the recognized lack of field data (e.g. Hunter et al. (2008)) causes difficulties for the calibration/validation of 1D/1D models. In this paper we propose to overcome these issues by calibrating a 1D/1D model with the results of a 1D/2D model. The flood-inundation results show that: (1) 1D/2D results can be used to calibrate faster 1D/1D models, (2) the 1D/1D model is able to map the 1D/2D flood maximum extent well, and the flooding limits satisfactorily in each time-step, (3) the 1D/1D model major differences are the instantaneous flow propagation and overestimation of the flood-depths within surface-ponds, (4) the agreement in the volume surcharged by both models is a necessary condition for the 1D surface-network validation and (5) the agreement of the manholes discharge shapes measures the fitness of the calibrated 1D surface-network.

  8. Near-infrared spectro-interferometry of Mira variables and comparisons to 1D dynamic model atmospheres and 3D convection simulations

    NASA Astrophysics Data System (ADS)

    Wittkowski, M.; Chiavassa, A.; Freytag, B.; Scholz, M.; Höfner, S.; Karovicova, I.; Whitelock, P. A.

    2016-03-01

    Aims: We aim at comparing spectro-interferometric observations of Mira variable asymptotic giant branch (AGB) stars with the latest 1D dynamic model atmospheres based on self-excited pulsation models (CODEX models) and with 3D dynamic model atmospheres including pulsation and convection (CO5BOLD models) to better understand the processes that extend the molecular atmosphere to radii where dust can form. Methods: We obtained a total of 20 near-infrared K-band spectro-interferometric snapshot observations of the Mira variables o Cet, R Leo, R Aqr, X Hya, W Vel, and R Cnc with a spectral resolution of about 1500. We compared observed flux and visibility spectra with predictions by CODEX 1D dynamic model atmospheres and with azimuthally averaged intensities based on CO5BOLD 3D dynamic model atmospheres. Results: Our visibility data confirm the presence of spatially extended molecular atmospheres located above the continuum radii with large-scale inhomogeneities or clumps that contribute a few percent of the total flux. The detailed structure of the inhomogeneities or clumps show a variability on time scales of 3 months and above. Both modeling attempts provided satisfactory fits to our data. In particular, they are both consistent with the observed decrease in the visibility function at molecular bands of water vapor and CO, indicating a spatially extended molecular atmosphere. Observational variability phases are mostly consistent with those of the best-fit CODEX models, except for near-maximum phases, where data are better described by near-minimum models. Rosseland angular diameters derived from the model fits are broadly consistent between those based on the 1D and the 3D models and with earlier observations. We derived fundamental parameters including absolute radii, effective temperatures, and luminosities for our sources. Conclusions: Our results provide a first observational support for theoretical results that shocks induced by convection and pulsation in the

  9. A hybrid multiscale kinetic Monte Carlo method for simulation of copper electrodeposition

    SciTech Connect

    Zheng Zheming; Stephens, Ryan M.; Braatz, Richard D.; Alkire, Richard C.; Petzold, Linda R.

    2008-05-01

    A hybrid multiscale kinetic Monte Carlo (HMKMC) method for speeding up the simulation of copper electrodeposition is presented. The fast diffusion events are simulated deterministically with a heterogeneous diffusion model which considers site-blocking effects of additives. Chemical reactions are simulated by an accelerated (tau-leaping) method for discrete stochastic simulation which adaptively selects exact discrete stochastic simulation for the appropriate reaction whenever that is necessary. The HMKMC method is seen to be accurate and highly efficient.

  10. SiSeRHMap v1.0: a simulator for mapped seismic response using a hybrid model

    NASA Astrophysics Data System (ADS)

    Grelle, Gerardo; Bonito, Laura; Lampasi, Alessandro; Revellino, Paola; Guerriero, Luigi; Sappa, Giuseppe; Guadagno, Francesco Maria

    2016-04-01

    The SiSeRHMap (simulator for mapped seismic response using a hybrid model) is a computerized methodology capable of elaborating prediction maps of seismic response in terms of acceleration spectra. It was realized on the basis of a hybrid model which combines different approaches and models in a new and non-conventional way. These approaches and models are organized in a code architecture composed of five interdependent modules. A GIS (geographic information system) cubic model (GCM), which is a layered computational structure based on the concept of lithodynamic units and zones, aims at reproducing a parameterized layered subsoil model. A meta-modelling process confers a hybrid nature to the methodology. In this process, the one-dimensional (1-D) linear equivalent analysis produces acceleration response spectra for a specified number of site profiles using one or more input motions. The shear wave velocity-thickness profiles, defined as trainers, are randomly selected in each zone. Subsequently, a numerical adaptive simulation model (Emul-spectra) is optimized on the above trainer acceleration response spectra by means of a dedicated evolutionary algorithm (EA) and the Levenberg-Marquardt algorithm (LMA) as the final optimizer. In the final step, the GCM maps executor module produces a serial map set of a stratigraphic seismic response at different periods, grid solving the calibrated Emul-spectra model. In addition, the spectra topographic amplification is also computed by means of a 3-D validated numerical prediction model. This model is built to match the results of the numerical simulations related to isolate reliefs using GIS morphometric data. In this way, different sets of seismic response maps are developed on which maps of design acceleration response spectra are also defined by means of an enveloping technique.

  11. HRSSA – Efficient hybrid stochastic simulation for spatially homogeneous biochemical reaction networks

    SciTech Connect

    Marchetti, Luca; Priami, Corrado; Thanh, Vo Hong

    2016-07-15

    This paper introduces HRSSA (Hybrid Rejection-based Stochastic Simulation Algorithm), a new efficient hybrid stochastic simulation algorithm for spatially homogeneous biochemical reaction networks. HRSSA is built on top of RSSA, an exact stochastic simulation algorithm which relies on propensity bounds to select next reaction firings and to reduce the average number of reaction propensity updates needed during the simulation. HRSSA exploits the computational advantage of propensity bounds to manage time-varying transition propensities and to apply dynamic partitioning of reactions, which constitute the two most significant bottlenecks of hybrid simulation. A comprehensive set of simulation benchmarks is provided for evaluating performance and accuracy of HRSSA against other state of the art algorithms.

  12. Kinematics and Simulation of a Hybrid Mechanism: MATLAB/SimMechanics

    NASA Astrophysics Data System (ADS)

    Kütük, M. E.; Halicioglu, R.; Dulger, L. C.

    2015-01-01

    Kinematic analysis and simulation of hybrid drive system are addressed in this study. A seven link mechanism with two degrees of freedom is selected as the configuration of the system. Kinematic analysis is performed by loop closure equations and required inputs of servo motor are given to get desired ram motion scenario. MATLAB/SimMechanics platform is used to model the hybrid driven mechanical system mechanism characteristics. The simulation results are presented herein.

  13. Selection of a Planning Horizon for a Hybrid Microgrid Using Simulated Wind Forecasts

    DTIC Science & Technology

    2014-12-01

    We use simulation techniques to investigate the performance of a hypothetical hybrid microgrid containing both wind turbines and fossil fuel based...microgrid containing both wind turbines and fossil fuel based power sources. Our simulation model produces realistic weather forecast scenarios, which...the performance of optimal day-ahead operating plans for a hypothetical hybrid microgrid containing wind turbines , dispatchable fuel-based generators

  14. A study on optimization of hybrid drive train using Advanced Vehicle Simulator (ADVISOR)

    NASA Astrophysics Data System (ADS)

    Same, Adam; Stipe, Alex; Grossman, David; Park, Jae Wan

    This study investigates the advantages and disadvantages of three hybrid drive train configurations: series, parallel, and "through-the-ground" parallel. Power flow simulations are conducted with the MATLAB/Simulink-based software ADVISOR. These simulations are then applied in an application for the UC Davis SAE Formula Hybrid vehicle. ADVISOR performs simulation calculations for vehicle position using a combined backward/forward method. These simulations are used to study how efficiency and agility are affected by the motor, fuel converter, and hybrid configuration. Three different vehicle models are developed to optimize the drive train of a vehicle for three stages of the SAE Formula Hybrid competition: autocross, endurance, and acceleration. Input cycles are created based on rough estimates of track geometry. The output from these ADVISOR simulations is a series of plots of velocity profile and energy storage State of Charge that provide a good estimate of how the Formula Hybrid vehicle will perform on the given course. The most noticeable discrepancy between the input cycle and the actual velocity profile of the vehicle occurs during deceleration. A weighted ranking system is developed to organize the simulation results and to determine the best drive train configuration for the Formula Hybrid vehicle. Results show that the through-the-ground parallel configuration with front-mounted motors achieves an optimal balance of efficiency, simplicity, and cost. ADVISOR is proven to be a useful tool for vehicle power train design for the SAE Formula Hybrid competition. This vehicle model based on ADVISOR simulation is applicable to various studies concerning performance and efficiency of hybrid drive trains.

  15. HYBRIST Mobility Model - A Novel Hybrid Mobility Model for VANET Simulations

    NASA Astrophysics Data System (ADS)

    ManfeDanquah, Wiseborn; Turgay Altilar, D.

    2014-01-01

    Simulations play a vital role in implementing, testing and validating proposed algorithms and protocols in VANET. Mobility model, defined as the movement pattern of vehicles, is one of the main factors that contribute towards the efficient implementation of VANET algorithms and protocols. Using near reality mobility models ensure that accurate results are obtained from simulations. Mobility models that have been proposed and used to implement and test VANET protocols and algorithms are either the urban mobility model or highway mobility model. Algorithms and protocols implemented using urban or highway mobility models may not produce accurate results in hybrid mobility models without enhancement due to the vast differences in mobility patterns. It is on this score the Hybrist, a novel hybrid mobility model is proposed. The realistic mobility pattern trace file of the proposed Hybrist hybrid mobility model can be imported to VANET simulators such as Veins and network simulators such as ns2 and Qualnet to simulate VANET algorithms and protocols.

  16. Hybrid statistics-simulations based method for atom-counting from ADF STEM images.

    PubMed

    De Wael, Annelies; De Backer, Annick; Jones, Lewys; Nellist, Peter D; Van Aert, Sandra

    2017-01-25

    A hybrid statistics-simulations based method for atom-counting from annular dark field scanning transmission electron microscopy (ADF STEM) images of monotype crystalline nanostructures is presented. Different atom-counting methods already exist for model-like systems. However, the increasing relevance of radiation damage in the study of nanostructures demands a method that allows atom-counting from low dose images with a low signal-to-noise ratio. Therefore, the hybrid method directly includes prior knowledge from image simulations into the existing statistics-based method for atom-counting, and accounts in this manner for possible discrepancies between actual and simulated experimental conditions. It is shown by means of simulations and experiments that this hybrid method outperforms the statistics-based method, especially for low electron doses and small nanoparticles. The analysis of a simulated low dose image of a small nanoparticle suggests that this method allows for far more reliable quantitative analysis of beam-sensitive materials.

  17. Visual Analytics for Complex Engineering Systems: Hybrid Visual Steering of Simulation Ensembles.

    PubMed

    Matković, Krešimir; Gračanin, Denis; Splechtna, Rainer; Jelović, Mario; Stehno, Benedikt; Hauser, Helwig; Purgathofer, Werner

    2014-12-01

    In this paper we propose a novel approach to hybrid visual steering of simulation ensembles. A simulation ensemble is a collection of simulation runs of the same simulation model using different sets of control parameters. Complex engineering systems have very large parameter spaces so a naïve sampling can result in prohibitively large simulation ensembles. Interactive steering of simulation ensembles provides the means to select relevant points in a multi-dimensional parameter space (design of experiment). Interactive steering efficiently reduces the number of simulation runs needed by coupling simulation and visualization and allowing a user to request new simulations on the fly. As system complexity grows, a pure interactive solution is not always sufficient. The new approach of hybrid steering combines interactive visual steering with automatic optimization. Hybrid steering allows a domain expert to interactively (in a visualization) select data points in an iterative manner, approximate the values in a continuous region of the simulation space (by regression) and automatically find the "best" points in this continuous region based on the specified constraints and objectives (by optimization). We argue that with the full spectrum of optimization options, the steering process can be improved substantially. We describe an integrated system consisting of a simulation, a visualization, and an optimization component. We also describe typical tasks and propose an interactive analysis workflow for complex engineering systems. We demonstrate our approach on a case study from automotive industry, the optimization of a hydraulic circuit in a high pressure common rail Diesel injection system.

  18. Automated procedure for developing hybrid computer simulations of turbofan engines. Part 1: General description

    NASA Technical Reports Server (NTRS)

    Szuch, J. R.; Krosel, S. M.; Bruton, W. M.

    1982-01-01

    A systematic, computer-aided, self-documenting methodology for developing hybrid computer simulations of turbofan engines is presented. The methodology that is pesented makes use of a host program that can run on a large digital computer and a machine-dependent target (hybrid) program. The host program performs all the calculations and data manipulations that are needed to transform user-supplied engine design information to a form suitable for the hybrid computer. The host program also trims the self-contained engine model to match specified design-point information. Part I contains a general discussion of the methodology, describes a test case, and presents comparisons between hybrid simulation and specified engine performance data. Part II, a companion document, contains documentation, in the form of computer printouts, for the test case.

  19. Development of a Hybrid RANS/LES Method for Compressible Mixing Layer Simulations

    NASA Technical Reports Server (NTRS)

    Georgiadis, Nicholas J.; Alexander, J. Iwan D.; Reshotko, Eli

    2001-01-01

    A hybrid method has been developed for simulations of compressible turbulent mixing layers. Such mixing layers dominate the flows in exhaust systems of modem day aircraft and also those of hypersonic vehicles currently under development. The hybrid method uses a Reynolds-averaged Navier-Stokes (RANS) procedure to calculate wall bounded regions entering a mixing section, and a Large Eddy Simulation (LES) procedure to calculate the mixing dominated regions. A numerical technique was developed to enable the use of the hybrid RANS/LES method on stretched, non-Cartesian grids. The hybrid RANS/LES method is applied to a benchmark compressible mixing layer experiment. Preliminary two-dimensional calculations are used to investigate the effects of axial grid density and boundary conditions. Actual LES calculations, performed in three spatial directions, indicated an initial vortex shedding followed by rapid transition to turbulence, which is in agreement with experimental observations.

  20. Dynamics of ozone and nitrogen oxides at Summit, Greenland. II. Simulating snowpack chemistry during a spring high ozone event with a 1-D process-scale model

    NASA Astrophysics Data System (ADS)

    Murray, Keenan A.; Kramer, Louisa J.; Doskey, Paul V.; Ganzeveld, Laurens; Seok, Brian; Van Dam, Brie; Helmig, Detlev

    2015-09-01

    Observed depth profiles of nitric oxide (NO), nitrogen dioxide (NO2), and ozone (O3) in snowpack interstitial air at Summit, Greenland were best replicated by a 1-D process-scale model, which included (1) geometrical representation of snow grains as spheres, (2) aqueous-phase chemistry confined to a quasi-liquid layer (QLL) on the surface of snow grains, and (3) initialization of the species concentrations in the QLL through equilibrium partitioning with mixing ratios in snowpack interstitial air. A comprehensive suite of measurements in and above snowpack during a high O3 event facilitated analysis of the relationship between the chemistry of snowpack and the overlying atmosphere. The model successfully reproduced 2 maxima (i.e., a peak near the surface of the snowpack at solar noon and a larger peak occurring in the evening that extended down from 0.5 to 2 m) in the diurnal profile of NO2 within snowpack interstitial air. The maximum production rate of NO2 by photolysis of nitrate (NO3-) was approximately 108 molec cm-3 s-1, which explained daily observations of maxima in NO2 mixing ratios near solar noon. Mixing ratios of NO2 in snowpack interstitial air were greatest in the deepest layers of the snowpack at night and were attributed to thermal decomposition of peroxynitric acid, which produced up to 106 molec NO2 cm-3 s-1. Highest levels of NO in snowpack interstitial air were confined to upper layers of the snowpack and observed profiles were consistent with photolysis of NO2. Production of nitrogen oxides (NOx) from NO3- photolysis was estimated to be two orders of magnitude larger than NO production and supports the hypothesis that NO3- photolysis is the primary source of NOx within sunlit snowpack in the Arctic. Aqueous-phase oxidation of formic acid by O3 resulted in a maximum consumption rate of ∼106-107 molec cm-3 s-1 and was the primary removal mechanism for O3.

  1. Hybrid simulation of reforming shocks with electron mass and pressure tensor effects

    NASA Astrophysics Data System (ADS)

    Yuan, Xingqiu; Cairns, Iver H.; Robinson, Peter A.

    2007-01-01

    We examine the dynamics of low plasma beta (β = 0.05), high Alfvén Mach number (M A = 4 ˜ 5), quasi-perpendicular (theta bn = 87°) collisionless shocks using two one-dimensional hybrid simulation codes, a standard hybrid code with massless fluid electrons and a new extended hybrid code with finite electron mass, and the full electron pressure tensor. Both hybrid codes predict similar macroscopic shock structures with well defined foot, ramp, overshoot and downstream regions and a shock that reforms with a quasi-cyclic change of the shock front structure. The shock reformation period predicted by the standard hybrid code is 1.8Ω ci -1 (Ω ci is the upstream ion gyrofrequency). In contrast to the standard hybrid simulations, the additional electron dissipation in the new extended hybrid code leads to a strong ion thermalization and phase space mixing between upstream incoming and reflected ions via plasma wave interactions in the foot, and formation of ion phase space holes. Whistler waves with typical wavelength ≃0.3v A Ω ci -1 and frequency ≃5.5Ω ci -1 are observed in the foot, and ramp region which help to stop the shock steepening, and reduce the predicted shock reformation period to 1.6Ω ci -1.

  2. A hybrid non-reflective boundary technique for efficient simulation of guided waves using local interaction simulation approach

    NASA Astrophysics Data System (ADS)

    Zhang, Hui; Cesnik, Carlos E. S.

    2016-04-01

    Local interaction simulation approach (LISA) is a highly parallelizable numerical scheme for guided wave simulation in structural health monitoring (SHM). This paper addresses the issue of simulating wave propagation in unbounded domain through the implementation of non-reflective boundary (NRB) in LISA. In this study, two different categories of NRB, i.e., the non-reflective boundary condition (NRBC) and the absorbing boundary layer (ABL), have been investigated in the parallelized LISA scheme. For the implementation of NRBC, a set of general LISA equations considering the effect from boundary stress is obtained first. As a simple example, the Lysmer and Kuhlemeyer (L-K) model is applied here to demonstrate the easiness of NRBC implementation in LISA. As a representative of ABL implementation, the LISA scheme incorporating the absorbing layers with increasing damping (ALID) is also proposed, based on elasto-dynamic equations considering damping effect. Finally, an effective hybrid model combining L-K and ALID methods in LISA is developed, and guidelines for implementing the hybrid model is presented. Case studies on a three-dimensional plate model compares the performance of hybrid method to that of L-K and ALID acting independently. The simulation results demonstrate that best absorbing efficiency is achieved with the hybrid method.

  3. Charaterizing the O+ ion plume from Hybrid simulations: comparison to MAVEN observations

    NASA Astrophysics Data System (ADS)

    Modolo, R.; Leblanc, F.; Chaufray, J. Y.; Leclercq, L.; Esteban-Hernandez, R.; Curry, S.; Dong, Y.; Brain, D. A.; Bowers, C.; Luhmann, J. G.; McFadden, J. P.; Halekas, J. S.; Espley, J. R.; Connerney, J. E. P.; Jakosky, B. M.

    2015-12-01

    MAVEN observations show a substantial plume-like distribution of escaping ions from the Martian atmosphere. It represents an important ion escape channel with large fluxes (Brain et al, 2015; Dong et al, 2015, Curry et al, 2015). Such structure is organized by the solar wind convection electric field and it is located in the MSE northward hemisphere. Global hybrid models (eg Modolo et al, 2005, 2012; Kallio et al, 2006; Brecht et al, 2006) reproduce nicely this plume. To further characterize this population, hybrid simulations have been performed with upstream solar wind conditions observed by MAVEN. Simulation results along the spacecraft track present signatures of high energetic O+ ions similar to MAVEN measurements. Comparison of simulated 3D distribution functions of this population are compared to STATIC and SWIA observations. Moreover a comparison of hybrid results with statistical ion fluxes maps derived from MAVEN (Dong et al, 2015; Brain et al, 2015) have been conducted and a reasonable agreement is found .

  4. Study of the internal magnetic field of Mercury through 3D hybrid simulations

    NASA Astrophysics Data System (ADS)

    Leclercq, Ludivine; Marcel Chanteur, Gerard; Modolo, Ronan; Leblanc, Francois; Schmidt, Carl; Langlais, Benoît; Thebault, Erwan

    2016-10-01

    In 1974, Mariner 10 discovered the intrinsic magnetic field of Mercury which interacts with the solar wind, leading to the formation of a magnetosphere. In spite of the recent MESSENGER observations, this magnetosphere remains quite unknown, especially in the Southern hemisphere. In order to improve our understanding of the Hermean magnetosphere, and to prepare the Bepi-Colombo mission (ESA/JAXA), we simulated the magnetized environment of Mercury using the model named LatHyS (LATMOS Hybrid Simulation). LatHyS is a 3D parallel multi-species hybrid code which has been applied to Mars, Titan and Ganymede, which has recently be improved by the implementation of a multi-grid method allowing to refine the spatial resolution near the planetary object (40 km in the case of Mercury). In order to investigate the Hermean environment, several hybrid simulations have been performed considering different internal field models, and results are compared with MESSENGER observations.

  5. Strategy and gaps for modeling, simulation, and control of hybrid systems

    SciTech Connect

    Rabiti, Cristian; Garcia, Humberto E.; Hovsapian, Rob; Kinoshita, Robert; Mesina, George L.; Bragg-Sitton, Shannon M.; Boardman, Richard D.

    2015-04-01

    The purpose of this report is to establish a strategy for modeling and simulation of candidate hybrid energy systems. Modeling and simulation is necessary to design, evaluate, and optimize the system technical and economic performance. Accordingly, this report first establishes the simulation requirements to analysis candidate hybrid systems. Simulation fidelity levels are established based on the temporal scale, real and synthetic data availability or needs, solution accuracy, and output parameters needed to evaluate case-specific figures of merit. Accordingly, the associated computational and co-simulation resources needed are established; including physical models when needed, code assembly and integrated solutions platforms, mathematical solvers, and data processing. This report first attempts to describe the figures of merit, systems requirements, and constraints that are necessary and sufficient to characterize the grid and hybrid systems behavior and market interactions. Loss of Load Probability (LOLP) and effective cost of Effective Cost of Energy (ECE), as opposed to the standard Levelized Cost of Electricty (LCOE), are introduced as technical and economical indices for integrated energy system evaluations. Financial assessment methods are subsequently introduced for evaluation of non-traditional, hybrid energy systems. Algorithms for coupled and iterative evaluation of the technical and economic performance are subsequently discussed. This report further defines modeling objectives, computational tools, solution approaches, and real-time data collection and processing (in some cases using real test units) that will be required to model, co-simulate, and optimize; (a) an energy system components (e.g., power generation unit, chemical process, electricity management unit), (b) system domains (e.g., thermal, electrical or chemical energy generation, conversion, and transport), and (c) systems control modules. Co-simulation of complex, tightly coupled

  6. Air-snowpack exchange of bromine, ozone and mercury in the springtime Arctic simulated by the 1-D model PHANTAS - Part 2: Mercury and its speciation

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Dastoor, A. P.; Ryzhkov, A.

    2013-08-01

    Atmospheric mercury depletion events (AMDEs) refer to a recurring depletion of mercury in the springtime Arctic (and Antarctic) boundary layer, occurring, in general, concurrently with ozone depletion events (ODEs). To close some of the knowledge gaps in the physical and chemical mechanisms of AMDEs and ODEs, we have developed a one-dimensional model that simulates multiphase chemistry and transport of trace constituents throughout porous snowpack and in the overlying atmospheric boundary layer (ABL). Building on the model reported in a companion paper (Part 1: In-snow bromine activation and its impact on ozone), we have expanded the chemical mechanism to include the reactions of mercury in the gas- and aqueous-phases with temperature dependence of rate and equilibrium constants accounted for wherever possible. Thus the model allows us to study the chemical and physical processes taking place during ODEs and AMDEs within a single framework where two-way interactions between the snowpack and the atmosphere are simulated in a detailed, process-oriented manner. Model runs are conducted for meteorological and chemical conditions representing the springtime Arctic ABL loaded with "haze" sulfate aerosols and the underlying saline snowpack laid on sea ice. Using recent updates for the Hg + Br \\rightleftarrows HgBr reaction kinetics, we show that the rate and magnitude of photochemical loss of gaseous elemental mercury (GEM) during AMDEs exhibit a strong dependence on the choice of reaction(s) of HgBr subsequent to its formation. At 253 K, the temperature that is presumably low enough for bromine radical chemistry to cause prominent AMDEs as indicated from field observations, the parallel occurrence of AMDEs and ODEs is simulated if the reaction HgBr + BrO is assumed to produce a thermally stable intermediate, Hg(OBr)Br, at the same rate constant as the reaction HgBr + Br. On the contrary, the simulated depletion of atmospheric mercury is notably diminished by not

  7. Air-snowpack exchange of bromine, ozone and mercury in the springtime Arctic simulated by the 1-D model PHANTAS - Part 2: Mercury and its speciation

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Dastoor, A. P.; Ryzhkov, A.

    2014-04-01

    Atmospheric mercury depletion events (AMDEs) refer to a recurring depletion of mercury occurring in the springtime Arctic (and Antarctic) boundary layer, in general, concurrently with ozone depletion events (ODEs). To close some of the knowledge gaps in the physical and chemical mechanisms of AMDEs and ODEs, we have developed a one-dimensional model that simulates multiphase chemistry and transport of trace constituents throughout porous snowpack and in the overlying atmospheric boundary layer (ABL). This paper constitutes Part 2 of the study, describing the mercury component of the model and its application to the simulation of AMDEs. Building on model components reported in Part 1 ("In-snow bromine activation and its impact on ozone"), we have developed a chemical mechanism for the redox reactions of mercury in the gas and aqueous phases with temperature dependent reaction rates and equilibrium constants accounted for wherever possible. Thus the model allows us to study the chemical and physical processes taking place during ODEs and AMDEs within a single framework where two-way interactions between the snowpack and the atmosphere are simulated in a detailed, process-oriented manner. Model runs are conducted for meteorological and chemical conditions that represent the springtime Arctic ABL characterized by the presence of "haze" (sulfate aerosols) and the saline snowpack on sea ice. The oxidation of gaseous elemental mercury (GEM) is initiated via reaction with Br-atom to form HgBr, followed by competitions between its thermal decomposition and further reactions to give thermally stable Hg(II) products. To shed light on uncertain kinetics and mechanisms of this multi-step oxidation process, we have tested different combinations of their rate constants based on published laboratory and quantum mechanical studies. For some combinations of the rate constants, the model simulates roughly linear relationships between the gaseous mercury and ozone concentrations as

  8. Mixing MARTINI: electrostatic coupling in hybrid atomistic-coarse-grained biomolecular simulations.

    PubMed

    Wassenaar, Tsjerk A; Ingólfsson, Helgi I; Priess, Marten; Marrink, Siewert J; Schäfer, Lars V

    2013-04-04

    Hybrid molecular dynamics simulations of atomistic (AA) solutes embedded in coarse-grained (CG) environment can substantially reduce the computational cost with respect to fully atomistic simulations. However, interfacing both levels of resolution is a major challenge that includes a balanced description of the relevant interactions. This is especially the case for polar solvents such as water, which screen the electrostatic interactions and thus require explicit electrostatic coupling between AA and CG subsystems. Here, we present and critically test computationally efficient hybrid AA/CG models. We combined the Gromos atomistic force field with the MARTINI coarse-grained force field. To enact electrostatic coupling, two recently developed CG water models with explicit electrostatic interactions were used: the polarizable MARTINI water model and the BMW model. The hybrid model was found to be sensitive to the strength of the AA-CG electrostatic coupling, which was adjusted through the relative dielectric permittivity εr(AA-CG). Potentials of mean force (PMFs) between pairs of amino acid side chain analogues in water and partitioning free enthalpies of uncharged amino acid side chain analogues between apolar solvent and water show significant differences between the hybrid simulations and the fully AA or CG simulations, in particular for charged and polar molecules. For apolar molecules, the results obtained with the hybrid AA/CG models are in better agreement with the fully atomistic results. The structures of atomistic ubiquitin solvated in CG water and of a single atomistic transmembrane α-helix and the transmembrane portion of an atomistic mechanosensitive channel in CG lipid bilayers were largely maintained during 50-100 ns of AA/CG simulations, partly due to an overstabilization of intramolecular interactions. This work highlights some key challenges on the way toward hybrid AA/CG models that are both computationally efficient and sufficiently accurate for

  9. Glass-based 1-D dielectric microcavities

    NASA Astrophysics Data System (ADS)

    Chiasera, Alessandro; Scotognella, Francesco; Valligatla, Sreeramulu; Varas, Stefano; Jasieniak, Jacek; Criante, Luigino; Lukowiak, Anna; Ristic, Davor; Gonçalves, Rogeria Rocha; Taccheo, Stefano; Ivanda, Mile; Righini, Giancarlo C.; Ramponi, Roberta; Martucci, Alessandro; Ferrari, Maurizio

    2016-11-01

    We have developed a reliable RF sputtering techniques allowing to fabricate glass-based one dimensional microcavities, with high quality factor. This property is strongly related to the modification of the density of states due to the confinement of the gain medium in a photonic band gap structure. In this short review we present some of the more recent results obtained by our team exploiting these 1D microcavities. In particular we present: (1) Er3+ luminescence enhancement of the 4I13/2 → 4I15/2 transition; (2) broad band filters based on disordered 1-D photonic structures; (3) threshold defect-mode lasing action in a hybrid structure.

  10. Non-native side chain IR probe in peptides: ab initio computation and 1D and 2D IR spectral simulation.

    PubMed

    Zheng, Michael L; Zheng, David C; Wang, Jianping

    2010-02-18

    Infrared frequency region of 2000-2600 cm(-1) (i.e., ca. 4-5 microm in wavelength) is a well-known open spectral window for peptides and proteins. In this work, six unnatural amino acids (unAAs) were designed to have characteristic absorption bands located in this region. Key chemical groups that served as side chains in these unAAs are C[triple bond]C, Phe-C[triple bond]C, N=C=O, N=C=S, P-H, and Si-H, respectively. Cysteine (a natural AA having S-H in side chain) was also studied for comparison. The anharmonic vibrational properties, including frequencies, anharmonicities, and intermode couplings, were examined using the density functional theory. Broadband linear infrared (IR) and two-dimensional (2D) IR spectra were simulated for each molecule. It is found that all of the side chain modes have significant overtone diagonal anharmonicities. All have moderate transition dipole strengths except the C[triple bond]C and S-H stretching modes, in comparison with the C=O stretching mode. In each case, a collection of 2D IR cross peaks were predicted to appear due to the presence of the side chain groups, whose strengths are closely related to the intramolecular anharmonic interactions, and to the transition dipole strengths of the coupled vibrators. Further, potential energy distribution analysis and high-order anharmonic constant computation showed that these IR probes possess a varying degree of mode localization. The results suggest that these IR probes are potentially useful in complementing the well-studied amide-I mode, to investigate structures and dynamics of peptides and proteins.

  11. A hybrid method for flood simulation in small catchments combining hydrodynamic and hydrological techniques

    NASA Astrophysics Data System (ADS)

    Bellos, Vasilis; Tsakiris, George

    2016-09-01

    The study presents a new hybrid method for the simulation of flood events in small catchments. It combines a physically-based two-dimensional hydrodynamic model and the hydrological unit hydrograph theory. Unit hydrographs are derived using the FLOW-R2D model which is based on the full form of two-dimensional Shallow Water Equations, solved by a modified McCormack numerical scheme. The method is tested at a small catchment in a suburb of Athens-Greece for a storm event which occurred in February 2013. The catchment is divided into three friction zones and unit hydrographs of 15 and 30 min are produced. The infiltration process is simulated by the empirical Kostiakov equation and the Green-Ampt model. The results from the implementation of the proposed hybrid method are compared with recorded data at the hydrometric station at the outlet of the catchment and the results derived from the fully hydrodynamic model FLOW-R2D. It is concluded that for the case studied, the proposed hybrid method produces results close to those of the fully hydrodynamic simulation at substantially shorter computational time. This finding, if further verified in a variety of case studies, can be useful in devising effective hybrid tools for the two-dimensional flood simulations, which are lead to accurate and considerably faster results than those achieved by the fully hydrodynamic simulations.

  12. Hybrid hotspot detection using regression model and lithography simulation

    NASA Astrophysics Data System (ADS)

    Kimura, Taiki; Matsunawa, Tetsuaki; Nojima, Shigeki; Pan, David Z.

    2016-03-01

    As minimum feature sizes shrink, unexpected hotspots appear on wafers. Therefore, it is important to detect and fix these hotspots at design stage to reduce development time and manufacturing cost. Currently, as the most accurate approach, lithography simulation is widely used to detect such hotspots. However, it is known to be time-consuming. This paper proposes a novel aerial image synthesizing method using regression and minimum lithography simulation for only hotspot detection. Experimental results show hotspot detection on the proposed method is equivalent compared with the results on the conventional hotspot detection method which uses only lithography simulation with much less computational cost.

  13. Reactor Subsystem Simulation for Nuclear Hybrid Energy Systems

    SciTech Connect

    Shannon Bragg-Sitton; J. Michael Doster; Alan Rominger

    2012-09-01

    Preliminary system models have been developed by Idaho National Laboratory researchers and are currently being enhanced to assess integrated system performance given multiple sources (e.g., nuclear + wind) and multiple applications (i.e., electricity + process heat). Initial efforts to integrate a Fortran-based simulation of a small modular reactor (SMR) with the balance of plant model have been completed in FY12. This initial effort takes advantage of an existing SMR model developed at North Carolina State University to provide initial integrated system simulation for a relatively low cost. The SMR subsystem simulation details are discussed in this report.

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

    NASA Technical Reports Server (NTRS)

    Baurle, R. A.

    2015-01-01

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

  15. Hybrid simulations of magnetic reconnection with kinetic ions and fluid electron pressure anisotropy

    DOE PAGES

    Le, A.; Daughton, W.; Karimabadi, H.; ...

    2016-03-16

    We present the first hybrid simulations with kinetic ions and recently developed equations of state for the electron fluid appropriate for reconnection with a guide field. The equations of state account for the main anisotropy of the electron pressure tensor.Magnetic reconnection is studied in two systems, an initially force-free current sheet and a Harris sheet. The hybrid model with the equations of state is compared to two other models, hybrid simulations with isothermal electrons and fully kinetic simulations. Including the anisotropicequations of state in the hybrid model provides a better match to the fully kinetic model. In agreement with fullymore » kinetic results, the main feature captured is the formation of an electron current sheet that extends several ion inertial lengths. This electron current sheet modifies the Hall magnetic field structure near the X-line, and it is not observed in the standard hybrid model with isotropic electrons. The saturated reconnection rate in this regime nevertheless remains similar in all three models. Here, implications for global modeling are discussed.« less

  16. Hybrid simulations of magnetic reconnection with kinetic ions and fluid electron pressure anisotropy

    SciTech Connect

    Le, A.; Daughton, W.; Karimabadi, H.; Egedal, J.

    2016-03-16

    We present the first hybrid simulations with kinetic ions and recently developed equations of state for the electron fluid appropriate for reconnection with a guide field. The equations of state account for the main anisotropy of the electron pressure tensor.Magnetic reconnection is studied in two systems, an initially force-free current sheet and a Harris sheet. The hybrid model with the equations of state is compared to two other models, hybrid simulations with isothermal electrons and fully kinetic simulations. Including the anisotropicequations of state in the hybrid model provides a better match to the fully kinetic model. In agreement with fully kinetic results, the main feature captured is the formation of an electron current sheet that extends several ion inertial lengths. This electron current sheet modifies the Hall magnetic field structure near the X-line, and it is not observed in the standard hybrid model with isotropic electrons. The saturated reconnection rate in this regime nevertheless remains similar in all three models. Here, implications for global modeling are discussed.

  17. Hybrid simulations of magnetic reconnection with kinetic ions and fluid electron pressure anisotropy

    NASA Astrophysics Data System (ADS)

    Le, A.; Daughton, W.; Karimabadi, H.; Egedal, J.

    2016-03-01

    We present the first hybrid simulations with kinetic ions and recently developed equations of state for the electron fluid appropriate for reconnection with a guide field. The equations of state account for the main anisotropy of the electron pressure tensor. Magnetic reconnection is studied in two systems, an initially force-free current sheet and a Harris sheet. The hybrid model with the equations of state is compared to two other models, hybrid simulations with isothermal electrons and fully kinetic simulations. Including the anisotropic equations of state in the hybrid model provides a better match to the fully kinetic model. In agreement with fully kinetic results, the main feature captured is the formation of an electron current sheet that extends several ion inertial lengths. This electron current sheet modifies the Hall magnetic field structure near the X-line, and it is not observed in the standard hybrid model with isotropic electrons. The saturated reconnection rate in this regime nevertheless remains similar in all three models. Implications for global modeling are discussed.

  18. A hybrid simulation approach for integrating safety behavior into construction planning: An earthmoving case study.

    PubMed

    Goh, Yang Miang; Askar Ali, Mohamed Jawad

    2016-08-01

    One of the key challenges in improving construction safety and health is the management of safety behavior. From a system point of view, workers work unsafely due to system level issues such as poor safety culture, excessive production pressure, inadequate allocation of resources and time and lack of training. These systemic issues should be eradicated or minimized during planning. However, there is a lack of detailed planning tools to help managers assess the impact of their upstream decisions on worker safety behavior. Even though simulation had been used in construction planning, the review conducted in this study showed that construction safety management research had not been exploiting the potential of simulation techniques. Thus, a hybrid simulation framework is proposed to facilitate integration of safety management considerations into construction activity simulation. The hybrid framework consists of discrete event simulation (DES) as the core, but heterogeneous, interactive and intelligent (able to make decisions) agents replace traditional entities and resources. In addition, some of the cognitive processes and physiological aspects of agents are captured using system dynamics (SD) approach. The combination of DES, agent-based simulation (ABS) and SD allows a more "natural" representation of the complex dynamics in construction activities. The proposed hybrid framework was demonstrated using a hypothetical case study. In addition, due to the lack of application of factorial experiment approach in safety management simulation, the case study demonstrated sensitivity analysis and factorial experiment to guide future research.

  19. Plasma simulation in a hybrid ion electric propulsion system

    NASA Astrophysics Data System (ADS)

    Jugroot, Manish; Christou, Alex

    2015-04-01

    An exciting possibility for the next generation of satellite technology is the microsatellite. These satellites, ranging from 10-500 kg, can offer advantages in cost, reduced risk, and increased functionality for a variety of missions. For station keeping and control of these satellites, a suitable compact and high efficiency thruster is required. Electrostatic propulsion provides a promising solution for microsatellite thrust due to their high specific impulse. The rare gas propellant is ionized into plasma and generates a beam of high speed ions by electrostatic processes. A concept explored in this work is a hybrid combination of dc ion engines and hall thrusters to overcome space-charge and lifetime limitations of current ion thruster technologies. A multiphysics space and time-dependent formulation was used to investigate and understand the underlying physical phenomena. Several regions and time scales of the plasma have been observed and will be discussed.

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

    PubMed

    Milano, Giuseppe; Kawakatsu, Toshihiro

    2009-06-07

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

  1. Hybrid stochastic simulation of reaction-diffusion systems with slow and fast dynamics

    SciTech Connect

    Strehl, Robert; Ilie, Silvana

    2015-12-21

    In this paper, we present a novel hybrid method to simulate discrete stochastic reaction-diffusion models arising in biochemical signaling pathways. We study moderately stiff systems, for which we can partition each reaction or diffusion channel into either a slow or fast subset, based on its propensity. Numerical approaches missing this distinction are often limited with respect to computational run time or approximation quality. We design an approximate scheme that remedies these pitfalls by using a new blending strategy of the well-established inhomogeneous stochastic simulation algorithm and the tau-leaping simulation method. The advantages of our hybrid simulation algorithm are demonstrated on three benchmarking systems, with special focus on approximation accuracy and efficiency.

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

    PubMed

    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.

  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. A survey of electric and hybrid vehicles simulation programs. Volume 2: Questionnaire responses

    NASA Technical Reports Server (NTRS)

    Bevan, J.; Heimburger, D. A.; Metcalfe, M. A.

    1978-01-01

    The data received in a survey conducted within the United States to determine the extent of development and capabilities of automotive performance simulation programs suitable for electric and hybrid vehicle studies are presented. The survey was conducted for the Department of Energy by NASA's Jet Propulsion Laboratory. Volume 1 of this report summarizes and discusses the results contained in Volume 2.

  5. A Hybrid Computer Simulation to Generate the DNA Distribution of a Cell Population.

    ERIC Educational Resources Information Center

    Griebling, John L.; Adams, William S.

    1981-01-01

    Described is a method of simulating the formation of a DNA distribution, on which statistical results and experimentally measured parameters from DNA distribution and percent-labeled mitosis studies are combined. An EAI-680 and DECSystem-10 Hybrid Computer configuration are used. (Author/CS)

  6. Dynamic Performance Comparison for MPPT-PV Systems using Hybrid Pspice/Matlab Simulation

    NASA Astrophysics Data System (ADS)

    Aouchiche, N.; Becherif, M.; HadjArab, A.; Aitcheikh, M. S.; Ramadan, H. S.; Cheknane, A.

    2016-10-01

    The power generated by solar photovoltaic (PV) module depends on the surrounding irradiance and temperature. This paper presents a hybrid Matlab™/Pspice™ simulation model of PV system, combined with Cadence software SLPS. The hybridization is performed in order to gain the advantages of both simulation tools such as accuracy and efficiency in both Pspice electronic circuit and Matlab™ mathematical modelling respectively. For this purpose, the PV panel and the boost converter are developed using Pspice™ and hybridized with the mathematical Matlab™ model of maximum power point method controller (MPPT) through SLPS. The main objective is verify the significance of using the proposed hybrid simulation techniques in comparing the different MPPT algorithms such as the perturbation and observation (P&O), incremental of conductance (Inc-Cond) and counter reaction voltage using pilot cell (Pilot-Cell). Various simulations are performed under different atmospheric conditions in order to evaluate the dynamic behaviour for the system under study in terms of stability, efficiency and rapidity.

  7. Hybrid simulations of intermediate shocks - Coplanar and noncoplanar solutions. [of space plasma flow

    NASA Technical Reports Server (NTRS)

    Karimabadi, H.; Omidi, N.

    1992-01-01

    A hybrid code is used to investigate the kinetic structure and stability of subfast intermediate shocks (IS) formed dynamically by the interaction between a flowing plasma and a stationary piston. Results of the kinetic simulation of noncoplanar ISs are compared with predictions of the MHD theory. The relevance of the results of the study to observations of the magnetopause is discussed.

  8. Modeling of Nonacoustic Combustion Instability in Simulations of Hybrid Motor Tests

    NASA Technical Reports Server (NTRS)

    Rocker, M.

    2000-01-01

    A transient model of a hybrid motor was formulated to study the cause and elimination of nonacoustic combustion instability. The transient model was used to simulate four key tests out of a series of seventeen hybrid motor tests conducted by Thiokol, Rocketdyne, and Martin Marietta at NASA Marshall Space Flight Center (MSFC). These tests were performed under the Hybrid Propulsion Technology for Launch Vehicle Boosters (HPTLVB) program. The first test resulted in stable combustion. The second test resulted in large-amplitude, 6.5-Hz chamber pressure oscillations that gradually damped away by the end of the test. The third test resulted in large-amplitude, 7.5-Hz chamber pressure oscillations that were sustained throughout the test. The seventh test resulted in elimination of combustion instability with the installation of an orifice immediately upstream of the injector. Formulation and implementation of the model are the scope of this presentation. The current model is an independent continuation of modeling presented previously by joint Thiokol-Rocketdyne collaborators Boardman, Hawkins, Wassom. and Claflin. The previous model simulated an unstable independent research and development (IR&D) hybrid motor test performed by Thiokol. There was very good agreement between the model and test data. Like the previous model, the current model was developed using Matrix-x simulation software. However, tests performed at MSFC under the HPTLVB program were actually simulated. ln the current model, the hybrid motor, consisting of the liquid oxygen (lox) injector, the multiport solid fuel grain, and nozzle, was simulated. The lox feedsystem, consisting of the tank, venturi. valve, and feed lines, was also simulated in the model. All components of the hybrid motor and lox feedsystem are treated by a lumped-parameter approach. Agreement between the results of the transient model and actual test data was very good. This agreement between simulated and actual test data indicated

  9. Hybrid Large-Eddy/Reynolds-Averaged Simulation of a Supersonic Cavity Using VULCAN

    NASA Technical Reports Server (NTRS)

    Quinlan, Jesse; McDaniel, James; Baurle, Robert A.

    2013-01-01

    Simulations of a supersonic recessed-cavity flow are performed using a hybrid large-eddy/Reynolds-averaged simulation approach utilizing an inflow turbulence recycling procedure and hybridized inviscid flux scheme. Calorically perfect air enters a three-dimensional domain at a free stream Mach number of 2.92. Simulations are performed to assess grid sensitivity of the solution, efficacy of the turbulence recycling, and the effect of the shock sensor used with the hybridized inviscid flux scheme. Analysis of the turbulent boundary layer upstream of the rearward-facing step for each case indicates excellent agreement with theoretical predictions. Mean velocity and pressure results are compared to Reynolds-averaged simulations and experimental data for each case and indicate good agreement on the finest grid. Simulations are repeated on a coarsened grid, and results indicate strong grid density sensitivity. Simulations are performed with and without inflow turbulence recycling on the coarse grid to isolate the effect of the recycling procedure, which is demonstrably critical to capturing the relevant shear layer dynamics. Shock sensor formulations of Ducros and Larsson are found to predict mean flow statistics equally well.

  10. Simulation of the hybrid and steady state advanced operating modes in ITER

    NASA Astrophysics Data System (ADS)

    Kessel, C. E.; Giruzzi, G.; Sips, A. C. C.; Budny, R. V.; Artaud, J. F.; Basiuk, V.; Imbeaux, F.; Joffrin, E.; Schneider, M.; Murakami, M.; Luce, T.; St. John, Holger; Oikawa, T.; Hayashi, N.; Takizuka, T.; Ozeki, T.; Na, Y.-S.; Park, J. M.; Garcia, J.; Tucillo, A. A.

    2007-09-01

    Integrated simulations are performed to establish a physics basis, in conjunction with present tokamak experiments, for the operating modes in the International Thermonuclear Experimental Reactor (ITER). Simulations of the hybrid mode are done using both fixed and free-boundary 1.5D transport evolution codes including CRONOS, ONETWO, TSC/TRANSP, TOPICS and ASTRA. The hybrid operating mode is simulated using the GLF23 and CDBM05 energy transport models. The injected powers are limited to the negative ion neutral beam, ion cyclotron and electron cyclotron heating systems. Several plasma parameters and source parameters are specified for the hybrid cases to provide a comparison of 1.5D core transport modelling assumptions, source physics modelling assumptions, as well as numerous peripheral physics modelling. Initial results indicate that very strict guidelines will need to be imposed on the application of GLF23, for example, to make useful comparisons. Some of the variations among the simulations are due to source models which vary widely among the codes used. In addition, there are a number of peripheral physics models that should be examined, some of which include fusion power production, bootstrap current, treatment of fast particles and treatment of impurities. The hybrid simulations project to fusion gains of 5.6-8.3, βN values of 2.1-2.6 and fusion powers ranging from 350 to 500 MW, under the assumptions outlined in section 3. Simulations of the steady state operating mode are done with the same 1.5D transport evolution codes cited above, except the ASTRA code. In these cases the energy transport model is more difficult to prescribe, so that energy confinement models will range from theory based to empirically based. The injected powers include the same sources as used for the hybrid with the possible addition of lower hybrid. The simulations of the steady state mode project to fusion gains of 3.5-7, βN values of 2.3-3.0 and fusion powers of 290 to 415 MW

  11. Simulating movement of tRNA through the ribosome during hybrid-state formation

    NASA Astrophysics Data System (ADS)

    Whitford, Paul C.; Sanbonmatsu, Karissa Y.

    2013-09-01

    Biomolecular simulations provide a means for exploring the relationship between flexibility, energetics, structure, and function. With the availability of atomic models from X-ray crystallography and cryoelectron microscopy (cryo-EM), and rapid increases in computing capacity, it is now possible to apply molecular dynamics (MD) simulations to large biomolecular machines, and systematically partition the factors that contribute to function. A large biomolecular complex for which atomic models are available is the ribosome. In the cell, the ribosome reads messenger RNA (mRNA) in order to synthesize proteins. During this essential process, the ribosome undergoes a wide range of conformational rearrangements. One of the most poorly understood transitions is translocation: the process by which transfer RNA (tRNA) molecules move between binding sites inside of the ribosome. The first step of translocation is the adoption of a "hybrid" configuration by the tRNAs, which is accompanied by large-scale rotations in the ribosomal subunits. To illuminate the relationship between these rearrangements, we apply MD simulations using a multi-basin structure-based (SMOG) model, together with targeted molecular dynamics protocols. From 120 simulated transitions, we demonstrate the viability of a particular route during P/E hybrid-state formation, where there is asynchronous movement along rotation and tRNA coordinates. These simulations not only suggest an ordering of events, but they highlight atomic interactions that may influence the kinetics of hybrid-state formation. From these simulations, we also identify steric features (H74 and surrounding residues) encountered during the hybrid transition, and observe that flexibility of the single-stranded 3'-CCA tail is essential for it to reach the endpoint. Together, these simulations provide a set of structural and energetic signatures that suggest strategies for modulating the physical-chemical properties of protein synthesis by the

  12. A comparative study of leachate quality and biogas generation in simulated anaerobic and hybrid bioreactors.

    PubMed

    Xu, Qiyong; Tian, Ying; Wang, Shen; Ko, Jae Hac

    2015-07-01

    Research has been conducted to compare leachate characterization and biogas generation in simulated anaerobic and hybrid bioreactor landfills with typical Chinese municipal solid waste (MSW). Three laboratory-scale reactors, an anaerobic (A1) and two hybrid bioreactors (C1 and C2), were constructed and operated for about 10months. The hybrid bioreactors were operated in an aerobic-anaerobic mode with different aeration frequencies by providing air into the upper layer of waste. Results showed that the temporary aeration into the upper layer aided methane generation by shortening the initial acidogenic phase because of volatile fatty acids (VFAs) reduction and pH increase. Chemical oxygen demand (COD) decreased faster in the hybrid bioreactors, but the concentrations of ammonia-nitrogen in the hybrid bioreactors were greater than those in the anaerobic control. Methanogenic conditions were established within 75d and 60d in C1 and C2, respectively. However, high aeration frequency led to the consumption of organic matters by aerobic degradation and resulted in reducing accumulative methane volume. The temporary aeration enhanced waste settlement and the settlement increased with increasing the frequency of aeration. Methane production was inhibited in the anaerobic control; however, the total methane generations from hybrid bioreactors were 133.4L/kgvs and 113.2L/kgvs. As for MSW with high content of food waste, leachate recirculation right after aeration stopped was not recommended due to VFA inhibition for methanogens.

  13. A comparative study of leachate quality and biogas generation in simulated anaerobic and hybrid bioreactors

    SciTech Connect

    Xu, Qiyong; Tian, Ying; Wang, Shen; Ko, Jae Hac

    2015-07-15

    Highlights: • Temporary aeration shortened the initial acid inhibition phase for methanogens. • COD decreased faster in the hybrid bioreactor than that in the anaerobic control. • Methane generations from hybrid bioreactors were 133.4 L/kg{sub vs} and 113.2 L/kg{sub vs}. • MSW settlement increased with increasing the frequency of intermittent aeration. - Abstract: Research has been conducted to compare leachate characterization and biogas generation in simulated anaerobic and hybrid bioreactor landfills with typical Chinese municipal solid waste (MSW). Three laboratory-scale reactors, an anaerobic (A1) and two hybrid bioreactors (C1 and C2), were constructed and operated for about 10 months. The hybrid bioreactors were operated in an aerobic–anaerobic mode with different aeration frequencies by providing air into the upper layer of waste. Results showed that the temporary aeration into the upper layer aided methane generation by shortening the initial acidogenic phase because of volatile fatty acids (VFAs) reduction and pH increase. Chemical oxygen demand (COD) decreased faster in the hybrid bioreactors, but the concentrations of ammonia–nitrogen in the hybrid bioreactors were greater than those in the anaerobic control. Methanogenic conditions were established within 75 d and 60 d in C1 and C2, respectively. However, high aeration frequency led to the consumption of organic matters by aerobic degradation and resulted in reducing accumulative methane volume. The temporary aeration enhanced waste settlement and the settlement increased with increasing the frequency of aeration. Methane production was inhibited in the anaerobic control; however, the total methane generations from hybrid bioreactors were 133.4 L/kg{sub vs} and 113.2 L/kg{sub vs}. As for MSW with high content of food waste, leachate recirculation right after aeration stopped was not recommended due to VFA inhibition for methanogens.

  14. A hybrid all-atom/coarse grain model for multiscale simulations of DNA.

    PubMed

    Machado, Matías Rodrigo; Dans, Pablo Daniel; Pantano, Sergio

    2011-10-28

    Hybrid simulations of molecular systems, which combine all-atom (AA) with simplified (or coarse grain, CG) representations, propose an advantageous alternative to gain atomistic details on relevant regions while getting profit from the speedup of treating a bigger part of the system at the CG level. Here we present a reduced set of parameters derived to treat a hybrid interface in DNA simulations. Our method allows us to forthrightly link a state-of-the-art force field for AA simulations of DNA with a CG representation developed by our group. We show that no modification is needed for any of the existing residues (neither AA nor CG). Only the bonding parameters at the hybrid interface are enough to produce a smooth transition of electrostatic, mechanic and dynamic features in different AA/CG systems, which are studied by molecular dynamics simulations using an implicit solvent. The simplicity of the approach potentially permits us to study the effect of mutations/modifications as well as DNA binding molecules at the atomistic level within a significantly larger DNA scaffold considered at the CG level. Since all the interactions are computed within the same classical Hamiltonian, the extension to a quantum/classical/coarse-grain multilayer approach using QM/MM modules implemented in widely used simulation packages is straightforward.

  15. Hybrid Simulated Annealing and Genetic Algorithms for Industrial Production Management Problems

    NASA Astrophysics Data System (ADS)

    Vasant, Pandian; Barsoum, Nader

    2009-08-01

    This paper describes the origin and significant contribution on the development of the Hybrid Simulated Annealing and Genetic Algorithms (HSAGA) approach for finding global optimization. HSAGA provide an insight approach to handle in solving complex optimization problems. The method is, the combination of meta-heuristic approaches of Simulated Annealing and novel Genetic Algorithms for solving a non-linear objective function with uncertain technical coefficients in an industrial production management problems. The proposed novel hybrid method is designed to search for global optimal for the non-linear objective function and search for the best feasible solutions of the decision variables. Simulated experiments were carried out rigorously to reflect the advantages of the proposed method. A description of the well developed method and the advanced computational experiment with MATLAB technical tool is presented. An industrial production management optimization problem is solved using HSAGA technique. The results are very much promising.

  16. Flow Simulation of N3-X Hybrid Wing-Body Configuration

    NASA Technical Reports Server (NTRS)

    Kim, Hyoungjin; Liou, Meng-Sing

    2013-01-01

    System studies show that a N3-X hybrid wing-body aircraft with a turboelectric distributed propulsion system using a mail-slot inlet/nozzle nacelle can meet the environmental and performance goals for N+3 generation transports (three generations beyond the current air transport technology level) set by NASA s Subsonic Fixed Wing Project. In this study, a Navier-Stokes flow simulation of N3-X on hybrid unstructured meshes was conducted, including the mail-slot propulsor. The geometry of the mail-slot propulsor was generated by a CAD (Computer-Aided Design)-free shape parameterization. A body force approach was used for a more realistic and efficient simulation of the turning and loss effects of the fan blades and the inlet-fan interactions. Flow simulation results of the N3-X demonstrates the validity of the present approach.

  17. Skylab mission planning support through the use of a hybrid simulation

    NASA Technical Reports Server (NTRS)

    Hammer, M. W.; Mcniel, D. O.

    1974-01-01

    The manner in which a hybrid simulation was used in support of Skylab operations in the area of dynamics and control is described. Simulation results were used in the development of acceptable vehicle maneuvers and in the verification of acceptability when the maneuvers were integrated into daily flight plans. The criterion of acceptability was based on vehicle controllability and the minimization of thruster system propellant usage. A simulation of a representative daily flight plan containing three experimental maneuvers is included, along with thruster attitude control system propellant usage tables which show predicted and actual usage for each mission. The inherent characteristics of quick turnaround and flexibility afforded by the hybrid computer proved invaluable in the operations support required throughout the Skylab mission.

  18. Modeling and Simulation of Metallurgical Process Based on Hybrid Petri Net

    NASA Astrophysics Data System (ADS)

    Ren, Yujuan; Bao, Hong

    2016-11-01

    In order to achieve the goals of energy saving and emission reduction of iron and steel enterprises, an increasing number of modeling and simulation technologies are used to research and analyse metallurgical production process. In this paper, the basic principle of Hybrid Petri net is used to model and analyse the Metallurgical Process. Firstly, the definition of Hybrid Petri Net System of Metallurgical Process (MPHPNS) and its modeling theory are proposed. Secondly, the model of MPHPNS based on material flow is constructed. The dynamic flow of materials and the real-time change of each technological state in metallurgical process are simulated vividly by using this model. The simulation process can implement interaction between the continuous event dynamic system and the discrete event dynamic system at the same level, and play a positive role in the production decision.

  19. Recovery act. Development of design and simulation tool for hybrid geothermal heat pump system

    SciTech Connect

    Wang, Shaojie; Ellis, Dan

    2014-05-29

    The ground source heat pump (GSHP) system is one of the most energy efficient HVAC technologies in the current market. However, the heat imbalance may degrade the ability of the ground loop heat exchanger (GLHX) to absorb or reject heat. The hybrid GSHP system, which combines a geothermal well field with a supplemental boiler or cooling tower, can balance the loads imposed on the ground loop heat exchangers to minimize its size while retaining superior energy efficiency. This paper presents a recent simulation-based study with an intention to compare multiple common control strategies used in hybrid GSHP systems, including fixed setpoint, outside air reset, load reset, and wetbulb reset. A small office in Oklahoma City conditioned by a hybrid GSHP system was simulated with the latest version of eQUEST 3.7[1]. The simulation results reveal that the hybrid GSHP system has the excellent capability to meet the cooling and heating setpoints during the occupied hours, balance thermal loads on the ground loop, as well as improve the thermal comfort of the occupants with the undersized well field.

  20. Multivariable Robust Control of a Simulated Hybrid Solid Oxide Fuel Cell Gas Turbine Plant

    SciTech Connect

    Tsai, Alex; Banta, Larry; Tucker, D.A.; Gemmen, R.S.

    2008-06-01

    This paper presents a systematic approach to the multivariable robust control of a hybrid fuel cell gas turbine plant. The hybrid configuration under investigation comprises a physical simulation of a 300kW fuel cell coupled to a 120kW auxiliary power unit single spool gas turbine. The facility provides for the testing and simulation of different fuel cell models that in turn help identify the key issues encountered in the transient operation of such systems. An empirical model of the facility consisting of a simulated fuel cell cathode volume and balance of plant components is derived via frequency response data. Through the modulation of various airflow bypass valves within the hybrid configuration, Bode plots are used to derive key input/output interactions in Transfer Function format. A multivariate system is then built from individual transfer functions, creating a matrix that serves as the nominal plant in an H-Infinity robust control algorithm. The controller’s main objective is to track and maintain hybrid operational constraints in the fuel cell’s cathode airflow, and the turbo machinery states of temperature and speed, under transient disturbances. This algorithm is then tested on a Simulink/MatLab platform for various perturbations of load and fuel cell heat effluence.

  1. Ion distributions in the Earth's foreshock: Hybrid-Vlasov simulation and THEMIS observations

    NASA Astrophysics Data System (ADS)

    Kempf, Yann; Pokhotelov, Dimitry; Gutynska, Olga; Wilson, Lynn B., III; Walsh, Brian M.; Alfthan, Sebastian von; Hannuksela, Otto; Sibeck, David G.; Palmroth, Minna

    2015-05-01

    We present the ion distribution functions in the ion foreshock upstream of the terrestrial bow shock obtained with Vlasiator, a new hybrid-Vlasov simulation geared toward large-scale simulations of the Earth's magnetosphere (http://vlasiator.fmi.fi). They are compared with the distribution functions measured by the multispacecraft Time History of Events and Macroscale Interactions during Substorms (THEMIS) mission. The known types of ion distributions in the foreshock are well reproduced by the hybrid-Vlasov model. We show that Vlasiator reproduces the decrease of the backstreaming beam speed with increasing distance from the foreshock edge, as well as the beam speed increase and density decrease with increasing radial distance from the bow shock, which have been reported before and are visible in the THEMIS data presented here. We also discuss the process by which wave-particle interactions cause intermediate foreshock distributions to lose their gyrotropy. This paper demonstrates the strength of the hybrid-Vlasov approach which lies in producing uniformly sampled ion distribution functions with good resolution in velocity space, at every spatial grid point of the simulation and at any instant. The limitations of the hybrid-Vlasov approach are also discussed.

  2. Development of a hybrid simulation course to reduce central line infections.

    PubMed

    Clapper, Timothy

    2012-05-01

    Clinical educators are continually looking at ways to effectively deliver large amounts of information to their learners. Whether as a part of pre-course work or as a separate phase of training, there are numerous benefits to making information available to learners before conducting sessions that allow the learners to practice the skills. Hybrid courses consist of a mixture of online and on-site instruction and offer a viable option for clinical educators to consider, especially when their intended audience consists of thousands of learners. This article describes the experiences of a medical simulation center and the use of a hybrid curriculum technique to reduce central line infections.

  3. An isentropic and sigma coordinate hybrid numerical model - Model development and some initial tests. [for atmospheric simulations

    NASA Technical Reports Server (NTRS)

    Uccellini, L. W.; Johnson, D. R.; Schlesinger, R. E.

    1979-01-01

    A solution is presented for matching boundary conditions across the interface of an isentropic and sigma coordinate hybrid model. A hybrid model based on the flux form of the primitive equations is developed which allows direct vertical exchange between the model domains, satisfies conservation principles with respect to transport processes, and maintains a smooth transition across the interface without need for artificial adjustment or parameterization schemes. The initial hybrid model simulations of a jet streak propagating in a zonal channel are used to test the feasibility of the hybrid model approach. High efficiency of the hybrid model is demonstrated.

  4. High order hybrid numerical simulations of two dimensional detonation waves

    NASA Technical Reports Server (NTRS)

    Cai, Wei

    1993-01-01

    In order to study multi-dimensional unstable detonation waves, a high order numerical scheme suitable for calculating the detailed transverse wave structures of multidimensional detonation waves was developed. The numerical algorithm uses a multi-domain approach so different numerical techniques can be applied for different components of detonation waves. The detonation waves are assumed to undergo an irreversible, unimolecular reaction A yields B. Several cases of unstable two dimensional detonation waves are simulated and detailed transverse wave interactions are documented. The numerical results show the importance of resolving the detonation front without excessive numerical viscosity in order to obtain the correct cellular patterns.

  5. Hybrid Reynolds-Averaged/Large-Eddy Simulations of a Coaxial Supersonic Free-Jet Experiment

    NASA Technical Reports Server (NTRS)

    Baurle, Robert A.; Edwards, Jack R.

    2010-01-01

    Reynolds-averaged and hybrid Reynolds-averaged/large-eddy simulations have been applied to a supersonic coaxial jet flow experiment. The experiment was designed to study compressible mixing flow phenomenon under conditions that are representative of those encountered in scramjet combustors. The experiment utilized either helium or argon as the inner jet nozzle fluid, and the outer jet nozzle fluid consisted of laboratory air. The inner and outer nozzles were designed and operated to produce nearly pressure-matched Mach 1.8 flow conditions at the jet exit. The purpose of the computational effort was to assess the state-of-the-art for each modeling approach, and to use the hybrid Reynolds-averaged/large-eddy simulations to gather insight into the deficiencies of the Reynolds-averaged closure models. The Reynolds-averaged simulations displayed a strong sensitivity to choice of turbulent Schmidt number. The initial value chosen for this parameter resulted in an over-prediction of the mixing layer spreading rate for the helium case, but the opposite trend was observed when argon was used as the injectant. A larger turbulent Schmidt number greatly improved the comparison of the results with measurements for the helium simulations, but variations in the Schmidt number did not improve the argon comparisons. The hybrid Reynolds-averaged/large-eddy simulations also over-predicted the mixing layer spreading rate for the helium case, while under-predicting the rate of mixing when argon was used as the injectant. The primary reason conjectured for the discrepancy between the hybrid simulation results and the measurements centered around issues related to the transition from a Reynolds-averaged state to one with resolved turbulent content. Improvements to the inflow conditions were suggested as a remedy to this dilemma. Second-order turbulence statistics were also compared to their modeled Reynolds-averaged counterparts to evaluate the effectiveness of common turbulence closure

  6. Development and verification of real-time, hybrid computer simulation of F100-PW-100(3) turbofan engine

    NASA Technical Reports Server (NTRS)

    Szuch, J. R.; Seldner, K.; Cwynar, D. S.

    1977-01-01

    A real time, hybrid computer simulation of a turbofan engine is described. Controls research programs involving that engine are supported by the simulation. The real time simulation is shown to match the steady state and transient performance of the engine over a wide range of flight conditions and power settings. The simulation equations, FORTRAN listing, and analog patching diagrams are included.

  7. Efficient hybrid non-equilibrium molecular dynamics--Monte Carlo simulations with symmetric momentum reversal.

    PubMed

    Chen, Yunjie; Roux, Benoît

    2014-09-21

    Hybrid schemes combining the strength of molecular dynamics (MD) and Metropolis Monte Carlo (MC) offer a promising avenue to improve the sampling efficiency of computer simulations of complex systems. A number of recently proposed hybrid methods consider new configurations generated by driving the system via a non-equilibrium MD (neMD) trajectory, which are subsequently treated as putative candidates for Metropolis MC acceptance or rejection. To obey microscopic detailed balance, it is necessary to alter the momentum of the system at the beginning and/or the end of the neMD trajectory. This strict rule then guarantees that the random walk in configurational space generated by such hybrid neMD-MC algorithm will yield the proper equilibrium Boltzmann distribution. While a number of different constructs are possible, the most commonly used prescription has been to simply reverse the momenta of all the particles at the end of the neMD trajectory ("one-end momentum reversal"). Surprisingly, it is shown here that the choice of momentum reversal prescription can have a considerable effect on the rate of convergence of the hybrid neMD-MC algorithm, with the simple one-end momentum reversal encountering particularly acute problems. In these neMD-MC simulations, different regions of configurational space end up being essentially isolated from one another due to a very small transition rate between regions. In the worst-case scenario, it is almost as if the configurational space does not constitute a single communicating class that can be sampled efficiently by the algorithm, and extremely long neMD-MC simulations are needed to obtain proper equilibrium probability distributions. To address this issue, a novel momentum reversal prescription, symmetrized with respect to both the beginning and the end of the neMD trajectory ("symmetric two-ends momentum reversal"), is introduced. Illustrative simulations demonstrate that the hybrid neMD-MC algorithm robustly yields a correct

  8. Three Dimensional Hybrid Continuum-Atomistic Simulations for Multiscale Hydrodynamics

    NASA Astrophysics Data System (ADS)

    Wijesinghe, Sanith; Hornung, Richard; Garcia, Alejandro; Hadjiconstantinou, Nicolas

    2002-11-01

    An adaptive mesh and algorithmic refinement (AMAR) scheme to model multi-scale, compressible continuum-atomistic hydrodynamics is presented. The AMAR technique applies the atomistic description as the finest level of refinement in regions where the continuum description is expected to fail, such as in regions of high flow gradients and discontinous material interfaces. In the current implementation the atomistic description is provided by the direct simulation Monte Carlo (DSMC). The continuum flow is modeled using the compressible flow Euler equations and is solved using a second order Godunov scheme. Coupling is achieved by conservation of fluxes across the continuum-atomistic grid boundaries. The AMAR data structures are supported by a C++ object oriented framework (Structured Adaptive Mesh Refinement Application Infrastructure - SAMRAI) which allows for efficient parallel implementation. Current work is focused on extending AMAR to simulations of gas mixtures. This work was performed under the auspices of the U.S. Department of Energy by University of California Lawrence Livermore National Laboratory under contract number W-7405-Eng-48.

  9. Formation of compact clusters from high resolution hybrid cosmological simulations

    SciTech Connect

    Richardson, Mark L. A.; Scannapieco, Evan; Gray, William J.

    2013-11-20

    The early universe hosted a large population of small dark matter 'minihalos' that were too small to cool and form stars on their own. These existed as static objects around larger galaxies until acted upon by some outside influence. Outflows, which have been observed around a variety of galaxies, can provide this influence in such a way as to collapse, rather than disperse, the minihalo gas. Gray and Scannapieco performed an investigation in which idealized spherically symmetric minihalos were struck by enriched outflows. Here we perform high-resolution cosmological simulations that form realistic minihalos, which we then extract to perform a large suite of simulations of outflow-minihalo interactions including non-equilibrium chemical reactions. In all models, the shocked minihalo forms molecules through non-equilibrium reaction, and then cools to form dense, chemically homogenous clumps of star-forming gas. The formation of these high-redshift clusters may be observable with the next generation of telescopes and the largest of them should survive to the present-day, having properties similar to halo globular clusters.

  10. Full color hybrid display for aircraft simulators. [landing aids

    NASA Technical Reports Server (NTRS)

    Chase, W. D. (Inventor)

    1977-01-01

    A full spectrum color monitor, connected to the camera and lens system of a television camera supported by a gantry frame over a terrain model simulating an aircraft landing zone, projects the monitor image onto a lens or screen visually accessible to a trainee in the simulator. A digital computer produces a pattern corresponding to the lights associated with the landing strip onto a monochromatic display, and an optical system projects the calligraphic image onto the same lens so that it is superposed on the video representation of the landing field. The optical system includes a four-color wheel which is rotated between the calligraphic display and the lens, and an apparatus for synchronizing the generation of a calligraphic pattern with the color segments on the color wheel. A servo feedback system responsive to the servo motors on the gantry frame produces an input to the computer so that the calligraphically generated signal corresponds in shape, size and location to the video signal.

  11. Effects of alpha beam on the parametric decay of a parallel propagating circularly polarized Alfven wave: Hybrid simulations

    SciTech Connect

    Gao, Xinliang; Lu, Quanming; Tao, Xin; Hao, Yufei; Wang, Shui

    2013-09-15

    Alfven waves with a finite amplitude are found to be unstable to a parametric decay in low beta plasmas. In this paper, the parametric decay of a circularly polarized Alfven wave in a proton-electron-alpha plasma system is investigated with one-dimensional (1-D) hybrid simulations. In cases without alpha particles, with the increase of the wave number of the pump Alfven wave, the growth rate of the decay instability increases and the saturation amplitude of the density fluctuations slightly decrease. However, when alpha particles with a sufficiently large bulk velocity along the ambient magnetic field are included, at a definite range of the wave numbers of the pump wave, both the growth rate and the saturation amplitude of the parametric decay become much smaller and the parametric decay is heavily suppressed. At these wave numbers, the resonant condition between the alpha particles and the daughter Alfven waves is satisfied, therefore, their resonant interactions might play an important role in the suppression of the parametric decay instability.

  12. Simulated comparisons of emissions and fuel efficiency of diesel and gasoline hybrid electric vehicles

    SciTech Connect

    Gao, Zhiming; Chakravarthy, Veerathu K; Daw, C Stuart

    2011-01-01

    This paper presents details and results of hybrid and plug-in hybrid electric passenger vehicle (HEV and PHEV) simulations that account for the interaction of thermal transients from drive cycle demands and engine start/stop events with aftertreatment devices and their associated fuel penalties. The simulations were conducted using the Powertrain Systems Analysis Toolkit (PSAT) software developed by Argonne National Laboratory (ANL) combined with aftertreatment component models developed at Oak Ridge National Lab (ORNL). A three-way catalyst model is used in simulations of gasoline powered vehicles while a lean NOx trap model in used to simulated NOx reduction in diesel powered vehicles. Both cases also use a previously reported methodology for simulating the temperature and species transients associated with the intermittent engine operation and typical drive cycle transients which are a significant departure from the usual experimental steady-state engine-map based approach adopted often in vehicle system simulations. Comparative simulations indicate a higher efficiency for diesel powered vehicles but the advantage is lowered by about a third (for both HEVs and PHEVs) when the fuel penalty associated with operating a lean NOx trap is included and may be reduced even more when fuel penalty associated with a particulate filter is included in diesel vehicle simulations. Through these preliminary studies, it is clearly demonstrated how accurate engine and exhaust systems models that can account for highly intermittent and transient engine operation in hybrid vehicles can be used to account for impact of emissions in comparative vehicle systems studies. Future plans with models for other devices such as particulate filters, diesel oxidation and selective reduction catalysts are also discussed.

  13. The Numerical Simulation of the Broadband Spiral Antenna Design Based on Hybrid Backed-Cavity

    NASA Astrophysics Data System (ADS)

    Liu, Chunheng; Lu, Yueguang; Du, Chunlei; Cui, Jingbo; Shen, Ximing

    2009-09-01

    In the paper, the hybrid backed-cavity with EBG (Electromagnetic Band-Gap) structure and PEC (Perfect Electronic Conductor) is proposed for Archimedean spiral antenna, which can make the spiral antenna work over the 10:1 bandwidth, without the loss introduced by absorbing materials. Based on the AMC characteristic (Artificial Magnetic Conductor), the EBG is placed in the outer region of backed-cavity to improve the blind spot gain in the low frequency. The PEC at the center of the structure is used to obtain high gain at high frequency. The better antenna performances are achieved in the low profile spiral antenna. A typical spiral antenna with hybrid backed cavity is numerically studied. The novel spiral antenna design with hybrid backed cavity is validated by simulated results.

  14. Optical simulations of P3HT/Si nanowire array hybrid solar cells.

    PubMed

    Wang, Wenbo; Li, Xinhua; Wen, Long; Zhao, Yufeng; Duan, Huahua; Zhou, Bukang; Shi, Tongfei; Zeng, Xuesong; Li, Ning; Wang, Yuqi

    2014-01-01

    An optical simulation of poly(3-hexylthiophene) (P3HT)/Si nanowire array (NWA) hybrid solar cells was investigated to evaluate the optical design requirements of the system by using finite-difference time-domain (FDTD) method. Steady improvement of light absorption was obtained with increased P3HT coating shell thickness from 0 to 80 nm on Si NWA. Further increasing the thickness caused dramatic decrease of the light absorption. Combined with the analysis of ultimate photocurrents, an optimum geometric structure with a coating P3HT thickness of 80 nm was proposed. At this structure, the hybrid solar cells show the most efficient light absorption. The optimization of the geometric structure and further understanding of the optical characteristics may contribute to the development for the practical experiment of the promising hybrid solar cells.

  15. Simulation of catalytic oxidation and selective catalytic NOx reduction in lean-exhaust hybrid vehicles

    SciTech Connect

    Gao, Zhiming; Daw, C Stuart; Chakravarthy, Veerathu K

    2012-01-01

    We utilize physically-based models for diesel exhaust catalytic oxidation and urea-based selective catalytic NOx reduction to study their impact on drive cycle performance of hypothetical light-duty diesel powered hybrid vehicles. The models have been implemented as highly flexible SIMULINK block modules that can be used to study multiple engine-aftertreatment system configurations. The parameters of the NOx reduction model have been adjusted to reflect the characteristics of Cu-zeolite catalysts, which are of widespread current interest. We demonstrate application of these models using the Powertrain System Analysis Toolkit (PSAT) software for vehicle simulations, along with a previously published methodology that accounts for emissions and temperature transients in the engine exhaust. Our results illustrate the potential impact of DOC and SCR interactions for lean hybrid electric and plug-in hybrid electric vehicles.

  16. Simulations of ionospheric turbulence produced by HF heating near the upper hybrid layer

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    Heating of the ionosphere by high-frequency (HF), ordinary (O) mode electromagnetic waves can excite magnetic field-aligned density striations, associated with upper and lower hybrid turbulence and electron heating. We have used Vlasov simulations in one spatial and two velocity dimensions to study the induced turbulence in the presence of striations when the O-mode pump is mode converted to large-amplitude upper hybrid oscillations trapped in a striation. Parametric processes give rise to upper and lower hybrid turbulence, as well as to large amplitude, short wavelength electron Bernstein waves. The latter excite stochastic electron heating when their amplitudes exceed a threshold for stochasticity, leading to a rapid increase of the electron temperature by several thousands of kelvin. The results have relevance for high-latitude heating experiments.

  17. Simulations of the Fuel Economy and Emissions of Hybrid Transit Buses over Planned Local Routes

    SciTech Connect

    Gao, Zhiming; LaClair, Tim J; Daw, C Stuart; Smith, David E; Franzese, Oscar

    2014-01-01

    We present simulated fuel economy and emissions city transit buses powered by conventional diesel engines and diesel-hybrid electric powertrains of varying size. Six representative city drive cycles were included in the study. In addition, we included previously published aftertreatment device models for control of CO, HC, NOx, and particulate matter (PM) emissions. Our results reveal that bus hybridization can significantly enhance fuel economy by reducing engine idling time, reducing demands for accessory loads, exploiting regenerative braking, and shifting engine operation to speeds and loads with higher fuel efficiency. Increased hybridization also tends to monotonically reduce engine-out emissions, but trends in the tailpipe (post-aftertreatment) emissions involve more complex interactions that significantly depend on motor size and drive cycle details.

  18. Plasma Simulation Using Gyrokinetic-Gyrofluid Hybrid Models

    SciTech Connect

    Scott Parker

    2009-04-09

    We are developing kinetic ion models for the simulation of extended MHD phenomena. The model they have developed uses full Lorentz force ions, and either drift-kinetic or gyro-kinetic electrons. Quasi-neutrality is assumed and the displacement current is neglected. They are also studying alpha particle driven Toroidal Alfven Eigenmodes (TAE) in the GEM gyrokinetic code [Chen 07]. The basic kinetic ion MHD model was recently reported in an invited talk given by Dan Barnes at the 2007 American Physical Society - Division of Plasma Physics (APS-DPP) and it has been published [Jones 04, Barnes 08]. The model uses an Ohm's law that includes the Hall term, pressure term and the electron inertia [Jones 04]. These results focused on the ion physics and assumed an isothermal electron closure. It is found in conventional gyrokinetic turbulence simulations that the timestep cannot be made much greater than the ion cyclotron period. However, the kinetic ion MHD model has the compressional mode, which further limits the timestep. They have developed an implicit scheme to avoid this timestep constraint. They have also added drift kinetic electrons. This model has been benchmarked linearly. Waves investigated where shear and compressional Alfven, whisterl, ion acoustic, and drift waves, including the kinetic damping rates. This work is ongoing and was first reported at the 2008 Sherwood Fusion Theory Conference [Chen 08] and they are working on a publication. They have also formulated an integrated gyrokinetic electron model, which is of interest for studying electron gradient instabilities and weak guide-field magnetic reconnection.

  19. A hybrid mock circulatory system: development and testing of an electro-hydraulic impedance simulator.

    PubMed

    Kozarski, M; Ferrari, G; Clemente, F; Górczyńska, K; De Lazzari, C; Darowski, M; Mimmo, R; Tosti, G; Guaragno, M

    2003-01-01

    Mock circulatory systems are used to test mechanical assist devices and for training and research purposes; when compared to numerical models, however, they are not flexible enough and rather expensive. The concept of merging numerical and physical models, resulting in a hybrid one, is applied here to represent the input impedance of the systemic arterial tree, by a conventional windkessel model built out of an electro-hydraulic (E-H) impedance simulator added to a hydraulic section. This model is inserted into an open loop circuit, completed by another hybrid model representing the ventricular function. The E-H impedance simulator is essentially an electrically controlled flow source (a gear pump). Referring to the windkessel model, it is used to simulate the peripheral resistance and the hydraulic compliance, creating the desired input impedance. The data reported describe the characterisation of the E-H impedance simulator and demonstrate its behaviour when it is connected to a hybrid ventricular model. Experiments were performed under different hemodynamic conditions, including the presence of a left ventricular assist device (LVAD).

  20. Digital-Analog-Hybrid Neural Simulator: A Design-Aid For Custom-VLSI Neurochips

    NASA Astrophysics Data System (ADS)

    Moopenn, Alexander W.; Thakoor, Anilkumar P.; Duong, Tuan A.

    1989-05-01

    A high speed neural network simulator and its use for the dynamics and performance analysis of feedback neural architectures are described. The simulator is based on a semi-parallel, analog-digital hybrid architecture which utilizes digital memories to store synaptic weights and analog hardware for high speed computation. A breadboard system with 8-bit gray scale synapses, designed and built at JPL, is successfully serving as a valuable design test-bed for the development of fully parallel, analog, custom VLSI neurochips, currently underway at JPL. The breadboard hybrid simulator indeed allows a detailed evaluation of hardware potential and limitations in implementing full analog operations in such chips. As an example, the paper presents an analysis of the stability and convergence behavior of a feedback neural network applied to the "Concentrator Assignment Problem" in combinatorial optimization, as studied on the analog-digital hybrid simulator. This has already resulted in a VLSI custom design of a fully parallel, analog neuroprocessor with a powerful "analog prompting" feature, for the high-speed, multiparameter optimization function.

  1. Development of a software platform for a plug-in hybrid electric vehicle simulator

    NASA Astrophysics Data System (ADS)

    Karlis, Athanasios D.; Bibeau, Eric; Zanetel, Paul; Lye, Zelon

    2012-03-01

    Electricity use for transportation has had limited applications because of battery storage range issues, although many recent successful demonstrations of electric vehicles have been achieved. Renewable biofuels such as biodiesel and bioethanol also contribute only a small percentage of the overall energy mix for mobility. Recent advances in hybrid technologies have significantly increased vehicle efficiencies. More importantly, hybridization now allows a significant reduction in battery capacity requirements compared to pure electric vehicles, allowing electricity to be used in the overall energy mix in the transportation sector. This paper presents an effort made to develop a Plug-in Hybrid Electric Vehicle (PHEV) platform that can act as a comprehensive alternative energy vehicle simulator. Its goal is to help in solving the pressing needs of the transportation sector, both in terms of contributing data to aid policy decisions for reducing fossil fuel use, and to support research in this important area. The Simulator will allow analysing different vehicle configurations, and control strategies with regards to renewable and non-renewable fuel and electricity sources. The simulation platform models the fundamental aspects of PHEV components, that is, process control, heat transfer, chemical reactions, thermodynamics and fluid properties. The outcomes of the Simulator are: (i) determining the optimal combination of fuels and grid electricity use, (ii) performing greenhouse gas calculations based on emerging protocols being developed, and (iii) optimizing the efficient and proper use of renewable energy sources in a carbon constrained world.

  2. 3D hybrid simulations of the plasma penetration across a magnetic field

    NASA Astrophysics Data System (ADS)

    Omelchenko, Yuri

    2016-10-01

    The expansion of hot dense plasmas across ambient magnetic fields in physical systems with spatial scales comparable to the ion gyro and inertial lengths is of great interest to space physics and fusion. This work presents results from recent three-dimensional hybrid simulations (kinetic ions, fluid electrons) of experiments at the LAPD and Nevada Terawatt Facility where short-pulse lasers are used to ablate solid targets to produce plasmas that expand across external magnetic fields. The first simulation recreates flutelike density striations observed at the leading edge of the carbon plasma and predicts an early destruction of the magnetic cavity in agreement with experimental evidence. In the second simulation the plasma contains protons and carbon ions produced during the ablation of a polyethylene target. A mechanism is demonstrated that allows protons to penetrate the magnetic field in the form of a collimated flow while the carbon ion component forms a supporting magnetic structure. The role of ion kinetic and Hall effects in creating an electric field responsible for plasma transport is discussed and results are compared to experimental data. The hybrid simulations are performed with a massively parallel hybrid code, HYPERS that advances fields and particles asynchronously on time scales determined by local physical and geometric properties. Supported by US DOE Award DE-SC0012345.

  3. 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

  4. Multivariable Robust Control of a Simulated Hybrid Solid Oxide Fuel Cell Gas Turbine Plant

    SciTech Connect

    Tsai, Alex; Banta, Larry; Tucker, David; Gemmen, Randall

    2010-08-01

    This work presents a systematic approach to the multivariable robust control of a hybrid fuel cell gas turbine plant. The hybrid configuration under investigation built by the National Energy Technology Laboratory comprises a physical simulation of a 300kW fuel cell coupled to a 120kW auxiliary power unit single spool gas turbine. The public facility provides for the testing and simulation of different fuel cell models that in turn help identify the key difficulties encountered in the transient operation of such systems. An empirical model of the built facility comprising a simulated fuel cell cathode volume and balance of plant components is derived via frequency response data. Through the modulation of various airflow bypass valves within the hybrid configuration, Bode plots are used to derive key input/output interactions in transfer function format. A multivariate system is then built from individual transfer functions, creating a matrix that serves as the nominal plant in an H{sub {infinity}} robust control algorithm. The controller’s main objective is to track and maintain hybrid operational constraints in the fuel cell’s cathode airflow, and the turbo machinery states of temperature and speed, under transient disturbances. This algorithm is then tested on a Simulink/MatLab platform for various perturbations of load and fuel cell heat effluence. As a complementary tool to the aforementioned empirical plant, a nonlinear analytical model faithful to the existing process and instrumentation arrangement is evaluated and designed in the Simulink environment. This parallel task intends to serve as a building block to scalable hybrid configurations that might require a more detailed nonlinear representation for a wide variety of controller schemes and hardware implementations.

  5. RAD sequencing and genomic simulations resolve hybrid origins within North American Canis.

    PubMed

    Rutledge, L Y; Devillard, S; Boone, J Q; Hohenlohe, P A; White, B N

    2015-07-01

    Top predators are disappearing worldwide, significantly changing ecosystems that depend on top-down regulation. Conflict with humans remains the primary roadblock for large carnivore conservation, but for the eastern wolf (Canis lycaon), disagreement over its evolutionary origins presents a significant barrier to conservation in Canada and has impeded protection for grey wolves (Canis lupus) in the USA. Here, we use 127,235 single-nucleotide polymorphisms (SNPs) identified from restriction-site associated DNA sequencing (RAD-seq) of wolves and coyotes, in combination with genomic simulations, to test hypotheses of hybrid origins of Canis types in eastern North America. A principal components analysis revealed no evidence to support eastern wolves, or any other Canis type, as the product of grey wolf × western coyote hybridization. In contrast, simulations that included eastern wolves as a distinct taxon clarified the hybrid origins of Great Lakes-boreal wolves and eastern coyotes. Our results support the eastern wolf as a distinct genomic cluster in North America and help resolve hybrid origins of Great Lakes wolves and eastern coyotes. The data provide timely information that will shed new light on the debate over wolf conservation in eastern North America.

  6. Vlasov Simulations of Ionospheric Turbulence near the Upper Hybrid Resonance and Fourth Gyroharmonic

    NASA Astrophysics Data System (ADS)

    Najmi, A. C.; Eliasson, B. E.; Shao, X.; Milikh, G. M.; Sharma, S.; Papadopoulos, D.

    2015-12-01

    High-frequency, ordinary (O) mode electromagnetic waves incident on a magnetized plasma near the upper hybrid resonance can excite magnetic field aligned density striations associated with both turbulence and electron heating. We have used Vlasov simulations, which combine low noise and high resolution of all areas of phase space, in one spatial and two velocity dimensions to study the induced turbulence in the presence of striations near the upper hybrid resonance, where the O-mode pump is mode converted to large amplitude upper hybrid oscillations trapped in a striation. We were able to correlate the evolution of stationary electron and ion oscillations with the onset of turbulence, and the heating of electrons in the striation with large amplitude, short wavelength electron Bernstein waves. These Bernstein waves excite stochastic electron heating when the normalized gradients of their electric field exceed the electron gyroradius, breaking the drift approximation, and causing particle orbits in phase space to diverge exponentially, rapidly increasing the electron temperature by several thousand Kelvin. Our most recent results include simulations where the frequency of the pump wave is close to the double resonance, both the upper hybrid and the fourth gyroharmonic. These results are relevant to ongoing high-latitude heating experiments and specifically, to the theory of the formation of descending artificial ionized layers.

  7. Mesoscopic description of hot spot phenomena: a route for hybrid multiscale simulations

    NASA Astrophysics Data System (ADS)

    Maillet, Jean-Bernard

    2015-06-01

    We describe large scale simulations of hot spot phenomena in single TATB crystals within the DPDE framework. The mesoscopic DPDE model is calibrated on all atom simulations, and particular attention is given to the rate of heat exchange between intramolecular and intermolecular degrees of freedom, which control the non-equilibrium behaviour of the system. Simulations of pore collapse at different shock speeds and for different pore sizes are performed, and a criterium for the quantification of the hot spot energy is proposed. These results are considered as reference data for subsequent comparison with top down simulations of similar processes. We present a reformulation of the (hydrodynamic) SDPD method allowing a direct coupling with the DPDE model, then opening the route for hybrid multiscale simulations.

  8. Large Area Synthesis of 1D-MoSe2 Using Molecular Beam Epitaxy.

    PubMed

    Poh, Sock Mui; Tan, Sherman J R; Zhao, Xiaoxu; Chen, Zhongxin; Abdelwahab, Ibrahim; Fu, Deyi; Xu, Hai; Bao, Yang; Zhou, Wu; Loh, Kian Ping

    2017-01-23

    Large area synthesis of 1D-MoSe2 nanoribbons on both insulating and conducting substrates via molecular beam epitaxy is presented. Dimensional controlled growth of 2D, 1D-MoSe2 , and 1D-2D-MoSe2 hybrid heterostructure is achieved by tuning the growth temperature or Mo:Se precursor ratio.

  9. A hybrid simulation-optimization approach for solving the areal groundwater pollution source identification problems

    NASA Astrophysics Data System (ADS)

    Ayvaz, M. Tamer

    2016-07-01

    In this study, a new simulation-optimization approach is proposed for solving the areal groundwater pollution source identification problems which is an ill-posed inverse problem. In the simulation part of the proposed approach, groundwater flow and pollution transport processes are simulated by modeling the given aquifer system on MODFLOW and MT3DMS models. The developed simulation model is then integrated to a newly proposed hybrid optimization model where a binary genetic algorithm and a generalized reduced gradient method are mutually used. This is a novel approach and it is employed for the first time in the areal pollution source identification problems. The objective of the proposed hybrid optimization approach is to simultaneously identify the spatial distributions and input concentrations of the unknown areal groundwater pollution sources by using the limited number of pollution concentration time series at the monitoring well locations. The applicability of the proposed simulation-optimization approach is evaluated on a hypothetical aquifer model for different pollution source distributions. Furthermore, model performance is evaluated for measurement error conditions, different genetic algorithm parameter combinations, different numbers and locations of the monitoring wells, and different heterogeneous hydraulic conductivity fields. Identified results indicated that the proposed simulation-optimization approach may be an effective way to solve the areal groundwater pollution source identification problems.

  10. A zero-equation turbulence model for two-dimensional hybrid Hall thruster simulations

    SciTech Connect

    Cappelli, Mark A. Young, Christopher V.; Cha, Eunsun; Fernandez, Eduardo

    2015-11-15

    We present a model for electron transport across the magnetic field of a Hall thruster and integrate this model into 2-D hybrid particle-in-cell simulations. The model is based on a simple scaling of the turbulent electron energy dissipation rate and the assumption that this dissipation results in Ohmic heating. Implementing the model into 2-D hybrid simulations is straightforward and leverages the existing framework for solving the electron fluid equations. The model recovers the axial variation in the mobility seen in experiments, predicting the generation of a transport barrier which anchors the region of plasma acceleration. The predicted xenon neutral and ion velocities are found to be in good agreement with laser-induced fluorescence measurements.

  11. A hybrid hopfield network-simulated annealing approach for frequency assignment in satellite communications systems.

    PubMed

    Salcedo-Sanz, Sancho; Santiago-Mozos, Ricardo; Bousoño-Calzón, Carlos

    2004-04-01

    A hybrid Hopfield network-simulated annealing algorithm (HopSA) is presented for the frequency assignment problem (FAP) in satellite communications. The goal of this NP-complete problem is minimizing the cochannel interference between satellite communication systems by rearranging the frequency assignment, for the systems can accommodate the increasing demands. The HopSA algorithm consists of a fast digital Hopfield neural network which manages the problem constraints hybridized with a simulated annealing which improves the quality of the solutions obtained. We analyze the problem and its formulation, describing and discussing the HopSA algorithm and solving a set of benchmark problems. The results obtained are compared with other existing approaches in order to show the performance of the HopSA approach.

  12. Numerical simulations of turbulent thermal, bubble and hybrid plumes

    NASA Astrophysics Data System (ADS)

    Fabregat, Alexandre; Dewar, William K.; Özgökmen, Tamay M.; Poje, Andrew C.; Wienders, Nicolas

    2015-06-01

    To understand the near-field dynamics of blowout plumes such as the one produced by the 2010 Deepwater Horizon oil spill in the Gulf of Mexico, the effects of gas bubbles on turbulent mixing and entrainment are studied via turbulence resolving simulations. We compare the evolution of three plumes where extremely large buoyancy anomalies are produced either thermally (single phase), solely by an imposed gas phase volume fraction, or by a combination of both buoyancy forcings. The plumes, with identical volume, momentum and buoyancy fluxes at the inlet, are released into an environment stratified with a constant temperature gradient. To clarify the first-order effects of dynamically active, dispersed bubbles, we employ a simple model which neglects the momentum of the gas phase while retaining bubble induced buoyancy in the seawater momentum equation. The gas phase is then distinguished by a single, measurable parameter, the slip velocity relative to that of the liquid phase. We find that bubbles, parameterized simply by a constant slip velocity, without any explicit assumptions of direct bubble induced turbulent production, significantly increase turbulent mixing in the plume in agreement with previous experimental results. Examination of mean momenta and turbulent kinetic energy budgets shows that the increased turbulence is due to direct modification of the mean profiles of both the momentum and the active scalar fields by the slipping gas phase. The narrowing of the active scalar field in the two-phase flow results in larger direct buoyancy production of turbulent energy at all vertical levels. The turbulence production is, however, primarily mechanical. At modest values of z/D, where the slip velocity is only a small fraction of the liquid phase velocity, slip stretches the mean vertical velocity field producing larger radial gradients and increased conversion of mean to turbulent energy. This first order effect, acting on the mean vertical velocity component

  13. The correlation of ring distributions with electron conics - Simulations of the production of upper hybrid waves

    NASA Astrophysics Data System (ADS)

    Menietti, J. D.; Lin, C. S.; Wong, H. K.

    Using the High Altitude Plasma Instrument on board the Dynamics Explorer 1 satellite, an example of electron conics associated with ring (trapped) distributions of warm electrons is shown. Using an electrostatic P-I-C code, numerical simulations of the generation of upper hybrid waves with ring distributions as the free energy source are performed. These waves heat the electrons perpendicular to the magnetic field, and thus provide a very efficient mechanism for the production of electron conics.

  14. Hybrid Multiscale Simulation of Hydrologic and Biogeochemical Processes in the River-Groundwater Interaction Zone

    NASA Astrophysics Data System (ADS)

    Yang, X.; Scheibe, T. D.; Chen, X.; Hammond, G. E.; Song, X.

    2015-12-01

    The zone in which river water and groundwater mix plays an important role in natural ecosystems as it regulates the mixing of nutrients that control biogeochemical transformations. Subsurface heterogeneity leads to local hotspots of microbial activity that are important to system function yet difficult to resolve computationally. To address this challenge, we are testing a hybrid multiscale approach that couples models at two distinct scales, based on field research at the U. S. Department of Energy's Hanford Site. The region of interest is a 400 x 400 x 20 m macroscale domain that intersects the aquifer and the river and contains a contaminant plume. However, biogeochemical activity is high in a thin zone (mud layer, <1 m thick) immediately adjacent to the river. This microscale domain is highly heterogeneous and requires fine spatial resolution to adequately represent the effects of local mixing on reactions. It is not computationally feasible to resolve the full macroscale domain at the fine resolution needed in the mud layer, and the reaction network needed in the mud layer is much more complex than that needed in the rest of the macroscale domain. Hence, a hybrid multiscale approach is used to efficiently and accurately predict flow and reactive transport at both scales. In our simulations, models at both scales are simulated using the PFLOTRAN code. Multiple microscale simulations in dynamically defined sub-domains (fine resolution, complex reaction network) are executed and coupled with a macroscale simulation over the entire domain (coarse resolution, simpler reaction network). The objectives of the research include: 1) comparing accuracy and computing cost of the hybrid multiscale simulation with a single-scale simulation; 2) identifying hot spots of microbial activity; and 3) defining macroscopic quantities such as fluxes, residence times and effective reaction rates.

  15. A robust method for handling low density regions in hybrid simulations for collisionless plasmas

    SciTech Connect

    Amano, Takanobu Higashimori, Katsuaki; Shirakawa, Keisuke

    2014-10-15

    A robust method to handle vacuum and near vacuum regions in hybrid simulations for space and astrophysical plasmas is presented. The conventional hybrid simulation model dealing with kinetic ions and a massless charge-neutralizing electron fluid is known to be susceptible to numerical instability due to divergence of the whistler-mode wave dispersion, as well as division-by-density operation in regions of low density. Consequently, a pure vacuum region is not allowed to exist in the simulation domain unless some ad hoc technique is used. To resolve this difficulty, an alternative way to introduce finite electron inertia effect is proposed. Contrary to the conventional method, the proposed one introduces a correction to the electric field rather than the magnetic field. It is shown that the generalized Ohm's law correctly reduces to Laplace's equation in a vacuum which therefore does not involve any numerical problems. In addition, a variable ion-to-electron mass ratio is introduced to reduce the phase velocity of high frequency whistler waves at low density regions so that the stability condition is always satisfied. It is demonstrated that the proposed model is able to handle near vacuum regions generated as a result of nonlinear self-consistent development of the system, as well as pure vacuum regions set up at the initial condition, without losing the advantages of the standard hybrid code.

  16. A digital-analog hybrid system and its application to the automatic flight control system simulation research

    NASA Technical Reports Server (NTRS)

    1981-01-01

    The characteristics of a digital-analog hybrid system composed of a DJS-8 digital computer and a HMJ-200 analog computer are described as well as its applications to simulation research for an automatic flight control system. A hybrid computational example is included to illustrate the application.

  17. Effects of Atomistic Domain Size on Hybrid Lattice Boltzmann-Molecular Dynamics Simulations of Dense Fluids

    NASA Astrophysics Data System (ADS)

    Dupuis, A.; Koumoutsakos, P.

    We present a convergence study for a hybrid Lattice Boltzmann-Molecular Dynamics model for the simulation of dense liquids. Time and length scales are decoupled by using an iterative Schwarz domain decomposition algorithm. The velocity field from the atomistic domain is introduced as forcing terms to the Lattice Boltzmann model of the continuum while the mean field of the continuum imposes mean field conditions for the atomistic domain. In the present paper we investigate the effect of varying the size of the atomistic subdomain in simulations of two dimensional flows of liquid argon past carbon nanotubes and assess the efficiency of the method.

  18. Architectural and operational considerations emerging from hybrid RF-optical network loading simulations

    NASA Astrophysics Data System (ADS)

    Chen, Yijiang; Abraham, Douglas S.; Heckman, David P.; Kwok, Andrew; MacNeal, Bruce E.; Tran, Kristy; Wu, Janet P.

    2016-03-01

    A technology demonstration of free space optical communication at interplanetary distances is planned via one or more future NASA deep-space missions. Such demonstrations will "pave the way" for operational use of optical communications on future robotic/potential Human missions. Hence, the Deep Space Network architecture will need to evolve. Preliminary attempts to model the anticipated future mission set and simulate how well it loads onto assumed architectures with combinations of RF and optical apertures have been evaluated. This paper discusses the results of preliminary loading simulations for hybrid RF-optical network architectures and highlights key mission and ground infrastructure considerations that emerge.

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

    NASA Technical Reports Server (NTRS)

    Brecht, Stephen H.; Ferrante, John R.

    1991-01-01

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

  20. Hybrid two-chain simulation and integral equation theory : application to polyethylene liquids.

    SciTech Connect

    Huimin Li, David T. Wu; Curro, John G.; McCoy, John Dwane

    2006-02-01

    We present results from a hybrid simulation and integral equation approach to the calculation of polymer melt properties. The simulation consists of explicit Monte Carlo (MC) sampling of two polymer molecules, where the effect of the surrounding chains is accounted for by an HNC solvation potential. The solvation potential is determined from the Polymer Reference Interaction Site Model (PRISM) as a functional of the pair correlation function from simulation. This hybrid two-chain MC-PRISM approach was carried out on liquids of polyethylene chains of 24 and 66 CH{sub 2} units. The results are compared with MD simulation and self-consistent PRISM-PY theory under the same conditions, revealing that the two-chain calculation is close to MD, and able to overcome the defects of the PRISM-PY closure and predict more accurate structures of the liquid at both short and long range. The direct correlation function, for instance, has a tail at longer range which is consistent with MD simulation and avoids the short-range assumptions in PRISM-PY theory. As a result, the self-consistent two-chain MC-PRISM calculation predicts an isothermal compressibility closer to the MD results.

  1. Saturated Fluctuations and Transport in Axial, Azimuthal Hybrid Hall Thruster Simulations

    NASA Astrophysics Data System (ADS)

    Dowdy, Caleb; Aley, Jacob; Fernandez, Eduardo

    2014-10-01

    Simulation studies of Hall thrusters aimed at describing the global domain typically employ hybrid schemes instead of more expensive kinetic approaches. Such simulations are generally in the radial and axial coordinates, assuming axisymmetry in order to circumvent azimuthal dynamics. Cross-field electron transport is enhanced (in an ad-hoc manner) in order to sustain the plasma and produce simulation profiles in semi-quantitative agreement with experimental measurements. In this work we present results from an axial/azimuthal hybrid fluid-PIC model of Hall thrusters that treats the azimuthal dynamics self-consistently, without employing ad-hoc transport parameters. Unlike previous simulation efforts with this model, the current work has succeeded at obtaining fully saturated states at high voltage, resolving the longest (breathing mode) timescales in the system. Equilibrium profiles and fluctuations predicted by the simulation will be presented. The latter are analyzed in terms of their frequency and propagation characteristics, as well as their contribution to transport. Linear stability theory is used to comment on the possible origin of the disturbances. Finally, the role of EXB flow shear on the potential regulation of fluctuation-induced electron transport is discussed. Caleb Dowdy, Jacob Aley and Eduardo Fernandez are supported by a grant from the II- VI Foundation.

  2. On the application of hybrid meshes in hydraulic machinery CFD simulations

    NASA Astrophysics Data System (ADS)

    Schlipf, M.; Tismer, A.; Riedelbauch, S.

    2016-11-01

    The application of two different hybrid mesh types for the simulation of a Francis runner for automated optimization processes without user input is investigated. Those mesh types are applied to simplified test cases such as flow around NACA airfoils to identify the special mesh resolution effects with reduced complexity, like rotating cascade flows, as they occur in a turbomachine runner channel. The analysis includes the application of those different meshes on the geometries by keeping defined quality criteria and exploring the influences on the simulation results. All results are compared with reference values gained by simulations with blockstructured hexahedron meshes and the same numerical scheme. This avoids additional inaccuracies caused by further numerical and experimental measurement methods. The results show that a simulation with hybrid meshes built up by a blockstructured domain with hexahedrons around the blade in combination with a tetrahedral far field in the channel is sufficient to get results which are almost as accurate as the results gained by the reference simulation. Furthermore this method is robust enough for automated processes without user input and enables comparable meshes in size, distribution and quality for different similar geometries as occurring in optimization processes.

  3. High performance hybrid functional Petri net simulations of biological pathway models on CUDA.

    PubMed

    Chalkidis, Georgios; Nagasaki, Masao; Miyano, Satoru

    2011-01-01

    Hybrid functional Petri nets are a wide-spread tool for representing and simulating biological models. Due to their potential of providing virtual drug testing environments, biological simulations have a growing impact on pharmaceutical research. Continuous research advancements in biology and medicine lead to exponentially increasing simulation times, thus raising the demand for performance accelerations by efficient and inexpensive parallel computation solutions. Recent developments in the field of general-purpose computation on graphics processing units (GPGPU) enabled the scientific community to port a variety of compute intensive algorithms onto the graphics processing unit (GPU). This work presents the first scheme for mapping biological hybrid functional Petri net models, which can handle both discrete and continuous entities, onto compute unified device architecture (CUDA) enabled GPUs. GPU accelerated simulations are observed to run up to 18 times faster than sequential implementations. Simulating the cell boundary formation by Delta-Notch signaling on a CUDA enabled GPU results in a speedup of approximately 7x for a model containing 1,600 cells.

  4. Turbine Powered Simulator Calibration and Testing for Hybrid Wing Body Powered Airframe Integration

    NASA Technical Reports Server (NTRS)

    Shea, Patrick R.; Flamm, Jeffrey D.; Long, Kurtis R.; James, Kevin D.; Tompkins, Daniel M.; Beyar, Michael D.

    2016-01-01

    Propulsion airframe integration testing on a 5.75% scale hybrid wing body model us- ing turbine powered simulators was completed at the National Full-Scale Aerodynamics Complex 40- by 80-foot test section. Four rear control surface con gurations including a no control surface de ection con guration were tested with the turbine powered simulator units to investigate how the jet exhaust in uenced the control surface performance as re- lated to the resultant forces and moments on the model. Compared to ow-through nacelle testing on the same hybrid wing body model, the control surface e ectiveness was found to increase with the turbine powered simulator units operating. This was true for pitching moment, lift, and drag although pitching moment was the parameter of greatest interest for this project. With the turbine powered simulator units operating, the model pitching moment was seen to increase when compared to the ow-through nacelle con guration indicating that the center elevon and vertical tail control authority increased with the jet exhaust from the turbine powered simulator units.

  5. HYBRID AND HALL-MHD SIMULATIONS OF COLLISIONLESS RECONNECTION: EFFECTS OF PLASMA PRESSURE TENSOR

    SciTech Connect

    L. YIN; D. WINSKE; ET AL

    2001-05-01

    In this study we performed two-dimensional hybrid (particle ions, massless fluid electrons) and Hall-MHD simulations of collisionless reconnection in a thin current sheet. Both calculations include the full electron pressure tensor (instead of a localized resistivity) in the generalized Ohm's law to initiate reconnection, and in both an initial perturbation to the Harris equilibrium is applied. First, electron dynamics from the two calculations are compared, and we find overall agreement between the two calculations in both the reconnection rate and the global configuration. To address the issue of how kinetic treatment for the ions affects the reconnection dynamics, we compared the fluid-ion dynamics from the Hall-MHD calculation to the particle-ion dynamics obtained from the hybrid simulation. The comparison demonstrates that off-diagonal elements of the ion pressure tensor are important in correctly modeling the ion out-of-plane momentum transport from the X point. It is that these effects can be modeled efficiently using a particle Hall-MHD simulation method in which particle ions used in a predictor/corrector to implement the ion gyro-radius corrections. We also investigate the micro- macro-scale coupling in the magnetotail dynamics by using a new integrated approach in which particle Hall-MHD calculations are embedded inside a MHD simulation. Initial results of the simulation concerning current sheet thinning and reconnection dynamics are discussed.

  6. COED Transactions, Vol. X, No. 10, October 1978. Simulation of a Sampled-Data System on a Hybrid Computer.

    ERIC Educational Resources Information Center

    Mitchell, Eugene E., Ed.

    The simulation of a sampled-data system is described that uses a full parallel hybrid computer. The sampled data system simulated illustrates the proportional-integral-derivative (PID) discrete control of a continuous second-order process representing a stirred-tank. The stirred-tank is simulated using continuous analog components, while PID…

  7. Large-eddy simulation/Reynolds-averaged Navier-Stokes hybrid schemes for high speed flows

    NASA Astrophysics Data System (ADS)

    Xiao, Xudong

    Three LES/RANS hybrid schemes have been proposed for the prediction of high speed separated flows. Each method couples the k-zeta (Enstrophy) BANS model with an LES subgrid scale one-equation model by using a blending function that is coordinate system independent. Two of these functions are based on turbulence dissipation length scale and grid size, while the third one has no explicit dependence on the grid. To implement the LES/RANS hybrid schemes, a new rescaling-reintroducing method is used to generate time-dependent turbulent inflow conditions. The hybrid schemes have been tested on a Mach 2.88 flow over 25 degree compression-expansion ramp and a Mach 2.79 flow over 20 degree compression ramp. A special computation procedure has been designed to prevent the separation zone from expanding upstream to the recycle-plane. The code is parallelized using Message Passing Interface (MPI) and is optimized for running on IBM-SP3 parallel machine. The scheme was validated first for a flat plate. It was shown that the blending function has to be monotonic to prevent the RANS region from appearing in the LES region. In the 25 deg ramp case, the hybrid schemes provided better agreement with experiment in the recovery region. Grid refinement studies demonstrated the importance of using a grid independent blend function and further improvement with experiment in the recovery region. In the 20 deg ramp case, with a relatively finer grid, the hybrid scheme characterized by grid independent blending function well predicted the flow field in both the separation region and the recovery region. Therefore, with "appropriately" fine grid, current hybrid schemes are promising for the simulation of shock wave/boundary layer interaction problems.

  8. Precise control of quantum dot location within the P3HT-b-P2VP/QD nanowires formed by crystallization-driven 1D growth of hybrid dimeric seeds.

    PubMed

    Kim, Yong-Jae; Cho, Chul-Hee; Paek, Kwanyeol; Jo, Mijung; Park, Mi-kyoung; Lee, Na-Eun; Kim, Youn-joong; Kim, Bumjoon J; Lee, Eunji

    2014-02-19

    Herein, we report a simple fabrication of hybrid nanowires (NWs) composed of a p-type conjugated polymer (CP) and n-type inorganic quantum dots (QDs) by exploiting the crystallization-driven solution assembly of poly(3-hexylthiophene)-b-poly(2-vinylpyridine) (P3HT-b-P2VP) rod-coil amphiphiles. The visualization of the crystallization-driven growth evolution of hybrid NWs through systematic transmission electron microscopy experiments showed that discrete dimeric CdSe QDs bridged by P3HT-b-P2VP polymers were generated during the initial state of crystallization. These, in turn, assemble into elongated fibrils, forming the coaxial P3HT-b-P2VP/QDs hybrid NWs. In particular, the location of the QD arrays within the single strand of P3HT-b-P2VP can be controlled precisely by manipulating the regioregularity (RR) values of P3HT block and the relative lengths of P2VP block. The degree of coaxiality of the QD arrays was shown to depend on the coplanarity of the thiophene rings of P3HT block, which can be controlled by the RR value of P3HT block. In addition, the location of QDs could be regulated at the specific-local site of P3HT-b-P2VP NW according to the surface characteristics of QDs. As an example, the comparison of two different QDs coated with hydrophobic alkyl-terminated and hydroxyl-terminated molecules, respectively, is used to elucidate the effect of the surface properties of QDs on their nanolocation in the NW.

  9. An Investigation of a Hybrid Mixing Timescale Model for PDF Simulations of Turbulent Premixed Flames

    NASA Astrophysics Data System (ADS)

    Zhou, Hua; Kuron, Mike; Ren, Zhuyin; Lu, Tianfeng; Chen, Jacqueline H.

    2016-11-01

    Transported probability density function (TPDF) method features the generality for all combustion regimes, which is attractive for turbulent combustion simulations. However, the modeling of micromixing due to molecular diffusion is still considered to be a primary challenge for TPDF method, especially in turbulent premixed flames. Recently, a hybrid mixing rate model for TPDF simulations of turbulent premixed flames has been proposed, which recovers the correct mixing rates in the limits of flamelet regime and broken reaction zone regime while at the same time aims to properly account for the transition in between. In this work, this model is employed in TPDF simulations of turbulent premixed methane-air slot burner flames. The model performance is assessed by comparing the results from both direct numerical simulation (DNS) and conventional constant mechanical-to-scalar mixing rate model. This work is Granted by NSFC 51476087 and 91441202.

  10. A Hybrid URANS/LES Approach Used for Simulations of Turbulent Flows

    NASA Astrophysics Data System (ADS)

    Fraňa, Karel; Stiller, Jörg

    A hybrid model based on the unsteady Reynolds averaged Navier-Stokes approach represented by the one-equation Spalart-Allmaras model and the Large Eddy Simulation called Detached Eddy Simulation (DES) was applied for turbulent flow simulations. This turbulent approach was implemented into the flow solver based on the Finite-Element Method with pressure stabilized and streamlines upwind Petrov-Galerkin stabilization techniques. The effectiveness and robustness of this updated solver is successfully demonstrated at benchmark calculation represented by an unsteady turbulent flow past a cylinder at Reynolds number 3900. Results such as velocity fields and the flow periodicity, Reynolds stress tensor and eddy viscosity and pressure coefficient distributions are discussed and relatively good agreement was found to direct numerical simulations and experiments.

  11. Simulation-optimization framework for multi-site multi-season hybrid stochastic streamflow modeling

    NASA Astrophysics Data System (ADS)

    Srivastav, Roshan; Srinivasan, K.; Sudheer, K. P.

    2016-11-01

    A simulation-optimization (S-O) framework is developed for the hybrid stochastic modeling of multi-site multi-season streamflows. The multi-objective optimization model formulated is the driver and the multi-site, multi-season hybrid matched block bootstrap model (MHMABB) is the simulation engine within this framework. The multi-site multi-season simulation model is the extension of the existing single-site multi-season simulation model. A robust and efficient evolutionary search based technique, namely, non-dominated sorting based genetic algorithm (NSGA - II) is employed as the solution technique for the multi-objective optimization within the S-O framework. The objective functions employed are related to the preservation of the multi-site critical deficit run sum and the constraints introduced are concerned with the hybrid model parameter space, and the preservation of certain statistics (such as inter-annual dependence and/or skewness of aggregated annual flows). The efficacy of the proposed S-O framework is brought out through a case example from the Colorado River basin. The proposed multi-site multi-season model AMHMABB (whose parameters are obtained from the proposed S-O framework) preserves the temporal as well as the spatial statistics of the historical flows. Also, the other multi-site deficit run characteristics namely, the number of runs, the maximum run length, the mean run sum and the mean run length are well preserved by the AMHMABB model. Overall, the proposed AMHMABB model is able to show better streamflow modeling performance when compared with the simulation based SMHMABB model, plausibly due to the significant role played by: (i) the objective functions related to the preservation of multi-site critical deficit run sum; (ii) the huge hybrid model parameter space available for the evolutionary search and (iii) the constraint on the preservation of the inter-annual dependence. Split-sample validation results indicate that the AMHMABB model is

  12. Magnetic spectral signatures in the terrestrial plasma depletion layer: Hybrid simulations

    NASA Astrophysics Data System (ADS)

    Lu, Q. M.; Guo, F.; Wang, S.

    2006-04-01

    The electromagnetic ion cyclotron waves in the terrestrial plasma depletion layer (PDL) are characterized by three different spectral categories. They are LOW, where the ion cyclotron waves have a continuous spectrum with main power below 0.5Ωp (Ωp is the proton gyrofrequency); CON, where the main power in the continuous spectrum of the waves can extend from ˜0.1 up to 1.0Ωp; and BIF, where a diminution around 0.5Ωp occurs between two activity peaks in the spectrum. These magnetic fluctuations in the PDL are considered to be the combined effects of two types of ion cyclotron waves: proton cyclotron waves and helium cyclotron waves, which are excited by the H+ and He2+ temperature anisotropies, respectively. In this paper, with one-dimensional (1-D) hybrid simulations we investigate the nonlinear evolution of the ion cyclotron waves excited by the H+ and He2+ temperature anisotropies. The proton cyclotron waves with the dominant frequency (the amplitude at that frequency is largest in the spectrum) larger than 0.5Ωp are first excited, and then the helium cyclotron waves with the dominant frequency smaller than 0.5Ωp are excited. The frequencies of the proton cyclotron waves decrease in their corresponding nonlinear stage. For β∥p = 0.1 (where β∥p is the parallel proton plasma beta), the dominant frequency of the proton cyclotron waves remains around 0.62Ωp because of the He2+ absorption around the helium gyrofrequency. Therefore, after the helium cyclotron waves with the dominant frequency around 0.25Ωp are excited, there exist two activity peaks in the spectrum. At the quasi-equilibrium stage, the amplitude of the proton cyclotron waves is very small because of the He2+ absorption, and a continuous spectrum with main power below 0.5Ωp is formed. When β∥p = 0.3, the effect of the He2+ absorption is very small and can be neglected. The frequencies of the proton cyclotron waves decrease in their nonlinear evolution. After the helium cyclotron waves

  13. A Hybrid Model for the Computationally-Efficient Simulation of the Cerebellar Granular Layer

    PubMed Central

    Cattani, Anna; Solinas, Sergio; Canuto, Claudio

    2016-01-01

    The aim of the present paper is to efficiently describe the membrane potential dynamics of neural populations formed by species having a high density difference in specific brain areas. We propose a hybrid model whose main ingredients are a conductance-based model (ODE system) and its continuous counterpart (PDE system) obtained through a limit process in which the number of neurons confined in a bounded region of the brain tissue is sent to infinity. Specifically, in the discrete model, each cell is described by a set of time-dependent variables, whereas in the continuum model, cells are grouped into populations that are described by a set of continuous variables. Communications between populations, which translate into interactions among the discrete and the continuous models, are the essence of the hybrid model we present here. The cerebellum and cerebellum-like structures show in their granular layer a large difference in the relative density of neuronal species making them a natural testing ground for our hybrid model. By reconstructing the ensemble activity of the cerebellar granular layer network and by comparing our results to a more realistic computational network, we demonstrate that our description of the network activity, even though it is not biophysically detailed, is still capable of reproducing salient features of neural network dynamics. Our modeling approach yields a significant computational cost reduction by increasing the simulation speed at least 270 times. The hybrid model reproduces interesting dynamics such as local microcircuit synchronization, traveling waves, center-surround, and time-windowing. PMID:27148027

  14. Numerical simulations of gyro-devices with hybrid-PIC formulation

    SciTech Connect

    Nguyen, K.T.; Zaidman, E.G.; Ganguly, A.K.

    1995-12-31

    Recent strong interest in the development of compact, efficient, high power, millimeter wave gyro-devices has accentuated the need for advanced design tools capable of accurately predicting the device actual performance. At the Naval Research Laboratory, the studies of the nonlinear saturation gain, efficiency, and bandwidth for gyro-devices are approached from two different formulations: (1) slow-time scale (SLT) formulation and (2) hybrid particle-in-cell (PIC) formulation. The SLT formulation is a computationally efficient, well-proven approach suitable for the accurate modeling of steady-state, single-mode, amplifier operations. For time-dependent multimode design problems where frequencies are arbitrary (e.g. mode competition and spurious oscillations), the hybrid-PIC formulation is the appropriate approach. This formulation is the basis for a 3-D, finite difference, time domain, PIC code recently developed at NRL. Numerical simulations of both gyrotron and peniotron interactions have been performed with the new hybrid-PIC code. Comparisons between the SLT and hybrid-PIC formulations in appropriate cases have shown good agreement. Current code modeling capabilities include uniform and vaned interaction circuits, gyro-traveling-wave amplifiers, gyro-klystron amplifiers, and gyro-oscillators. Further details on the code and its modeling capabilities will be presented and discussed at the conference.

  15. Coalescent Simulations Reveal Hybridization and Incomplete Lineage Sorting in Mediterranean Linaria

    PubMed Central

    Blanco-Pastor, José Luis; Vargas, Pablo; Pfeil, Bernard E.

    2012-01-01

    We examined the phylogenetic history of Linaria with special emphasis on the Mediterranean sect. Supinae (44 species). We revealed extensive highly supported incongruence among two nuclear (ITS, AGT1) and two plastid regions (rpl32-trnLUAG, trnS-trnG). Coalescent simulations, a hybrid detection test and species tree inference in *BEAST revealed that incomplete lineage sorting and hybridization may both be responsible for the incongruent pattern observed. Additionally, we present a multilabelled *BEAST species tree as an alternative approach that allows the possibility of observing multiple placements in the species tree for the same taxa. That permitted the incorporation of processes such as hybridization within the tree while not violating the assumptions of the *BEAST model. This methodology is presented as a functional tool to disclose the evolutionary history of species complexes that have experienced both hybridization and incomplete lineage sorting. The drastic climatic events that have occurred in the Mediterranean since the late Miocene, including the Quaternary-type climatic oscillations, may have made both processes highly recurrent in the Mediterranean flora. PMID:22768061

  16. Simulations of Injection, Mixing, and Combustion in Supersonic Flow Using a Hybrid RANS/LES Approach

    NASA Astrophysics Data System (ADS)

    Peterson, David Michael

    There is a great need for accurate and reliable numerical simulation of injection, mixing, and combustion in supersonic combustion ramjet engines. This study seeks to improve the accuracy and reliability which these flow can be simulated with by investigating the use of recent improvements in turbulence modeling and numerical methods. The present numerical simulations use implicit time integration and low-dissipation flux evaluation schemes in an unstructured grid framework. A hybrid Reynolds-Averaged Navier-Stokes and large-eddy simulation approach is used to model turbulence. The large-scale turbulent structure of the flow is resolved, while the near-wall structure is fully modeled. The effects of numerics, grid resolution, and boundary conditions are investigated. The simulation approach is thoroughly validated against available experimental data at a variety of flow conditions. The simulations focus on the injection of fuel through circular injector ports that are oriented either normal to the supersonic crossflow, or at a low angle with respect to the crossflow. The instantaneous flow structure resolved by the simulations is qualitatively compared to experimental flowfield visualization. Quantitative comparisons are made to mean wall pressure, mean velocity, turbulence quantities, and mean mixing data. The simulations are found to do very well at predicting the mean flowfield as well as fluctuations in velocity and injectant concentration. The simulation approach is then used to simulate the flow within a model supersonic combustor. The focus is on the non-reacting case. The simulation results are found to agree well with experimental measurements of temperature and species concentrations. The flow is examined to improve understanding of the mixing within the model combustor. Preliminary results for a simulation including hydrogen combustion are also presented.

  17. Performance of hybrid programming models for multiscale cardiac simulations: preparing for petascale computation.

    PubMed

    Pope, Bernard J; Fitch, Blake G; Pitman, Michael C; Rice, John J; Reumann, Matthias

    2011-10-01

    Future multiscale and multiphysics models that support research into human disease, translational medical science, and treatment can utilize the power of high-performance computing (HPC) systems. We anticipate that computationally efficient multiscale models will require the use of sophisticated hybrid programming models, mixing distributed message-passing processes [e.g., the message-passing interface (MPI)] with multithreading (e.g., OpenMP, Pthreads). The objective of this study is to compare the performance of such hybrid programming models when applied to the simulation of a realistic physiological multiscale model of the heart. Our results show that the hybrid models perform favorably when compared to an implementation using only the MPI and, furthermore, that OpenMP in combination with the MPI provides a satisfactory compromise between performance and code complexity. Having the ability to use threads within MPI processes enables the sophisticated use of all processor cores for both computation and communication phases. Considering that HPC systems in 2012 will have two orders of magnitude more cores than what was used in this study, we believe that faster than real-time multiscale cardiac simulations can be achieved on these systems.

  18. Investigations of Subsonic Compressible Boundary Layer Flows using Hybrid Large Eddy Simulations

    NASA Astrophysics Data System (ADS)

    Taylor, Sara Jo

    The objective of this thesis is to investigate the spatially developing turbulent compressible boundary layer on a flat plate using the Spalart-Allmaras Detached Eddy Simulation (SA-DES) model [22] and the Nichols-Nelson hybrid Reynolds-Averaged Navier-Stokes/Large Eddy Simulation (RANS/LES) model [13] which have been implemented into the Wind-US 3.0 computational fluid dynamics code [30]; both of the hybrid approaches involve RANS modeling in the near-wall region and LES treatment in the outer region. Generation of unsteady turbulent inflow data is achieved via the prescribed energy spectrum method. The studies illustrated dependence on Reynolds number based on momentum thickness, Reθ, ranging from 3018 to 19430, and dependence on Mach number, M = 0.5 and M = 0.9. The SA-DES model predicted mean flow profiles to a satisfactory degree, and the Nichols-Nelson hybrid RANS/LES model adequately predicted density field fluctuations; the aero-thermal effects captured by the Nichols-Nelson model can be useful for near-field aero optics applications.

  19. A hybrid method for efficient and accurate simulations of diffusion compartment imaging signals

    NASA Astrophysics Data System (ADS)

    Rensonnet, Gaëtan; Jacobs, Damien; Macq, Benoît; Taquet, Maxime

    2015-12-01

    Diffusion-weighted imaging is sensitive to the movement of water molecules through the tissue microstructure and can therefore be used to gain insight into the tissue cellular architecture. While the diffusion signal arising from simple geometrical microstructure is known analytically, it remains unclear what diffusion signal arises from complex microstructural configurations. Such knowledge is important to design optimal acquisition sequences, to understand the limitations of diffusion-weighted imaging and to validate novel models of the brain microstructure. We present a novel framework for the efficient simulation of high-quality DW-MRI signals based on the hybrid combination of exact analytic expressions in simple geometric compartments such as cylinders and spheres and Monte Carlo simulations in more complex geometries. We validate our approach on synthetic arrangements of parallel cylinders representing the geometry of white matter fascicles, by comparing it to complete, all-out Monte Carlo simulations commonly used in the literature. For typical configurations, equal levels of accuracy are obtained with our hybrid method in less than one fifth of the computational time required for Monte Carlo simulations.

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

    PubMed

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

    2014-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2014-03-01

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

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

    SciTech Connect

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

    2014-03-15

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

  3. Jovian Plasma Torus Interaction with Europa: 3D Hybrid Kinetic Simulation. First results

    NASA Technical Reports Server (NTRS)

    Lipatov, A. S.; Cooper, J. F.; Paterson, W. R.; Sittler, E. C.; Hartle, R. E.; Simpson, D. G.

    2010-01-01

    The hybrid kinetic model supports comprehensive simulation of the interaction between different spatial and energetic elements of the Europa-moon-magnetosphere system with respect to variable upstream magnetic field and flux or density distributions of plasma and energetic ions, electrons, and neutral atoms. This capability is critical for improving the interpretation of the existing Europa flyby measurements from the Galileo orbiter mission, and for planning flyby and orbital measurements, (including the surface and atmospheric compositions) for future missions. The simulations are based on recent models of the atmosphere of Europa (Cassidy etal.,2007;Shematovichetal.,2005). In contrast to previous approaches with MHD simulations, the hybrid model allows us to fully take into account the finite gyro radius effect and electron pressure, and to correctly estimate the ion velocity distribution and the fluxes along the magnetic field (assuming an initial Maxwellian velocity distribution for upstream background ions).Non-thermal distributions of upstream plasma will be addressed in future work. Photoionization,electron-impact ionization, charge exchange and collisions between the ions and neutrals are also included in our model. We consider two models for background plasma:(a) with O(++) ions; (b) with O(++) and S(++) ions. The majority of O2 atmosphere is thermal with an extended cold population (Cassidyetal.,2007). A few first simulations already include an induced magnetic dipole; however, several important effects of induced magnetic fields arising from oceanic shell conductivity will be addressed in later work.

  4. Nonlinear hybrid simulation of internal kink with beam ion effects in DIII-D

    NASA Astrophysics Data System (ADS)

    Shen, Wei; Fu, G. Y.; Tobias, Benjamin; Van Zeeland, Michael; Wang, Feng; Sheng, Zheng-Mao

    2015-04-01

    In DIII-D sawteething plasmas, long-lived (1,1) kink modes are often observed between sawtooth crashes. The saturated kink modes have two distinct frequencies. The mode with higher frequency transits to a fishbone-like mode with sufficient on-axis neutral beam power. In this work, hybrid simulations with the global kinetic-magnetohydrodynamic (MHD) hybrid code M3D-K have been carried out to investigate the linear stability and nonlinear dynamics of the n = 1 mode with effects of energetic beam ions for a typical DIII-D discharge where both saturated kink mode and fishbone were observed. Linear simulation results show that the n = 1 internal kink mode is unstable in MHD limit. However, with kinetic effects of beam ions, a fishbone-like mode is excited with mode frequency about a few kHz depending on beam pressure profile. The mode frequency is higher at higher beam power and/or narrower radial profile consistent with the experimental observation. Nonlinear simulations have been performed to investigate mode saturation as well as energetic particle transport. The nonlinear MHD simulations show that the unstable kink mode becomes a saturated kink mode after a sawtooth crash. With beam ion effects, the fishbone-like mode can also transit to a saturated kink mode with a small but finite mode frequency. These results are consistent with the experimental observation of saturated kink mode between sawtooth crashes.

  5. Nonlinear hybrid simulation of internal kink with beam ion effects in DIII-D

    SciTech Connect

    Shen, Wei; Sheng, Zheng-Mao; Fu, G. Y.; Tobias, Benjamin; Zeeland, Michael Van; Wang, Feng

    2015-04-15

    In DIII-D sawteething plasmas, long-lived (1,1) kink modes are often observed between sawtooth crashes. The saturated kink modes have two distinct frequencies. The mode with higher frequency transits to a fishbone-like mode with sufficient on-axis neutral beam power. In this work, hybrid simulations with the global kinetic-magnetohydrodynamic (MHD) hybrid code M3D-K have been carried out to investigate the linear stability and nonlinear dynamics of the n = 1 mode with effects of energetic beam ions for a typical DIII-D discharge where both saturated kink mode and fishbone were observed. Linear simulation results show that the n = 1 internal kink mode is unstable in MHD limit. However, with kinetic effects of beam ions, a fishbone-like mode is excited with mode frequency about a few kHz depending on beam pressure profile. The mode frequency is higher at higher beam power and/or narrower radial profile consistent with the experimental observation. Nonlinear simulations have been performed to investigate mode saturation as well as energetic particle transport. The nonlinear MHD simulations show that the unstable kink mode becomes a saturated kink mode after a sawtooth crash. With beam ion effects, the fishbone-like mode can also transit to a saturated kink mode with a small but finite mode frequency. These results are consistent with the experimental observation of saturated kink mode between sawtooth crashes.

  6. A hybrid atomistic electrodynamics-quantum mechanical approach for simulating surface-enhanced Raman scattering.

    PubMed

    Payton, John L; Morton, Seth M; Moore, Justin E; Jensen, Lasse

    2014-01-21

    Surface-enhanced Raman scattering (SERS) is a technique that has broad implications for biological and chemical sensing applications by providing the ability to simultaneously detect and identify a single molecule. The Raman scattering of molecules adsorbed on metal nanoparticles can be enhanced by many orders of magnitude. These enhancements stem from a twofold mechanism: an electromagnetic mechanism (EM), which is due to the enhanced local field near the metal surface, and a chemical mechanism (CM), which is due to the adsorbate specific interactions between the metal surface and the molecules. The local field near the metal surface can be significantly enhanced due to the plasmon excitation, and therefore chemists generally accept that the EM provides the majority of the enhancements. While classical electrodynamics simulations can accurately simulate the local electric field around metal nanoparticles, they offer few insights into the spectral changes that occur in SERS. First-principles simulations can directly predict the Raman spectrum but are limited to small metal clusters and therefore are often used for understanding the CM. Thus, there is a need for developing new methods that bridge the electrodynamics simulations of the metal nanoparticle and the first-principles simulations of the molecule to facilitate direct simulations of SERS spectra. In this Account, we discuss our recent work on developing a hybrid atomistic electrodynamics-quantum mechanical approach to simulate SERS. This hybrid method is called the discrete interaction model/quantum mechanics (DIM/QM) method and consists of an atomistic electrodynamics model of the metal nanoparticle and a time-dependent density functional theory (TDDFT) description of the molecule. In contrast to most previous work, the DIM/QM method enables us to retain a detailed atomistic structure of the nanoparticle and provides a natural bridge between the electronic structure methods and the macroscopic

  7. Solid rocket combustion simulator technology using the hybrid rocket for simulation

    NASA Technical Reports Server (NTRS)

    Ramohalli, Kumar

    1994-01-01

    The hybrid rocket is reexamined in light of several important unanswered questions regarding its performance. The well-known heat transfer limited burning rate equation is quoted, and its limitations are pointed out. Several inconsistencies in the burning rate determination through fuel depolymerization are explicitly discussed. The resolution appears to be through the postulate of (surface) oxidative degradation of the fuel. Experiments are initiated to study the fuel degradation in mixtures of nitrogen/oxygen in the 99.9 percent/0.1 percent to 98 percent/2 percent range. The overall hybrid combustion behavior is studied in a 2 in-diameter rocket motor, where a PMMA tube is used as the fuel. The results include detailed, real-time infrared video images of the combustion zone. Space- and time-averaged images give a broad indication of the temperature reached in the gases. A brief outline is shown of future work, which will specifically concentrate on the exploration of the role of the oxidizer transport to the fuel surface, and the role of the unburned fuel that is reported to escape below the classical time-averaged boundary layer flame.

  8. A Hybrid Parachute Simulation Environment for the Orion Parachute Development Project

    NASA Technical Reports Server (NTRS)

    Moore, James W.

    2011-01-01

    A parachute simulation environment (PSE) has been developed that aims to take advantage of legacy parachute simulation codes and modern object-oriented programming techniques. This hybrid simulation environment provides the parachute analyst with a natural and intuitive way to construct simulation tasks while preserving the pedigree and authority of established parachute simulations. NASA currently employs four simulation tools for developing and analyzing air-drop tests performed by the CEV Parachute Assembly System (CPAS) Project. These tools were developed at different times, in different languages, and with different capabilities in mind. As a result, each tool has a distinct interface and set of inputs and outputs. However, regardless of the simulation code that is most appropriate for the type of test, engineers typically perform similar tasks for each drop test such as prediction of loads, assessment of altitude, and sequencing of disreefs or cut-aways. An object-oriented approach to simulation configuration allows the analyst to choose models of real physical test articles (parachutes, vehicles, etc.) and sequence them to achieve the desired test conditions. Once configured, these objects are translated into traditional input lists and processed by the legacy simulation codes. This approach minimizes the number of sim inputs that the engineer must track while configuring an input file. An object oriented approach to simulation output allows a common set of post-processing functions to perform routine tasks such as plotting and timeline generation with minimal sensitivity to the simulation that generated the data. Flight test data may also be translated into the common output class to simplify test reconstruction and analysis.

  9. CAVE2: a hybrid reality environment for immersive simulation and information analysis

    NASA Astrophysics Data System (ADS)

    Febretti, Alessandro; Nishimoto, Arthur; Thigpen, Terrance; Talandis, Jonas; Long, Lance; Pirtle, J. D.; Peterka, Tom; Verlo, Alan; Brown, Maxine; Plepys, Dana; Sandin, Dan; Renambot, Luc; Johnson, Andrew; Leigh, Jason

    2013-03-01

    Hybrid Reality Environments represent a new kind of visualization spaces that blur the line between virtual environments and high resolution tiled display walls. This paper outlines the design and implementation of the CAVE2TM Hybrid Reality Environment. CAVE2 is the world's first near-seamless flat-panel-based, surround-screen immersive system. Unique to CAVE2 is that it will enable users to simultaneously view both 2D and 3D information, providing more flexibility for mixed media applications. CAVE2 is a cylindrical system of 24 feet in diameter and 8 feet tall, and consists of 72 near-seamless, off-axisoptimized passive stereo LCD panels, creating an approximately 320 degree panoramic environment for displaying information at 37 Megapixels (in stereoscopic 3D) or 74 Megapixels in 2D and at a horizontal visual acuity of 20/20. Custom LCD panels with shifted polarizers were built so the images in the top and bottom rows of LCDs are optimized for vertical off-center viewing- allowing viewers to come closer to the displays while minimizing ghosting. CAVE2 is designed to support multiple operating modes. In the Fully Immersive mode, the entire room can be dedicated to one virtual simulation. In 2D model, the room can operate like a traditional tiled display wall enabling users to work with large numbers of documents at the same time. In the Hybrid mode, a mixture of both 2D and 3D applications can be simultaneously supported. The ability to treat immersive work spaces in this Hybrid way has never been achieved before, and leverages the special abilities of CAVE2 to enable researchers to seamlessly interact with large collections of 2D and 3D data. To realize this hybrid ability, we merged the Scalable Adaptive Graphics Environment (SAGE) - a system for supporting 2D tiled displays, with Omegalib - a virtual reality middleware supporting OpenGL, OpenSceneGraph and Vtk applications.

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

    NASA Astrophysics Data System (ADS)

    Bakarji, Joseph; Tartakovsky, Daniel M.

    2017-04-01

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

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

    NASA Astrophysics Data System (ADS)

    Rossinelli, Diego; Bayati, Basil; Koumoutsakos, Petros

    2008-01-01

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

  12. On the Design, Characterization and Simulation of Hybrid Metal-Composite Interfaces

    NASA Astrophysics Data System (ADS)

    Kießling, R.; Ihlemann, J.; Pohl, M.; Stommel, M.; Dammann, C.; Mahnken, R.; Bobbert, M.; Meschut, G.; Hirsch, F.; Kästner, M.

    2017-02-01

    Multi-material lightweight designs are a key feature for the development of innovative and resource-efficient products. In the development of a hybrid composite, the interface between the joined components has to be considered in detail as it represents a typical location of the initialization of failure. This contribution gives an overview of the simulative engineering of metal-composite interfaces. To this end, several design aspects on the microscale and macroscale are explained and methods to model the mechanical behavior of the interface within finite element simulations. This comprises the utilization of cohesive elements with a continuum description of the interface. Likewise, traction-separation based cohesive elements, i.e. a zero-thickness idealization of the interface, are outlined and applied to a demonstration example. Within these finite element simulations, the constitutive behavior of the connected components has to be described by suitable material models. Therefore, inelastic material models at large strains are formulated based on rheological models.

  13. 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.

  14. Hybrid Model for Plasma Thruster Plume Simulation Including PIC-MCC Electrons Treatment

    SciTech Connect

    Alexandrov, A. L.; Bondar, Ye. A.; Schweigert, I. V.

    2008-12-31

    The simulation of stationary plasma thruster plume is important for spacecraft design due to possible interaction plume with spacecraft surface. Such simulations are successfully performed using the particle-in-cell technique for describing the motion of charged particles, namely the propellant ions. In conventional plume models the electrons are treated using various fluid approaches. In this work, we suggest an alternative approach, where the electron kinetics is considered 'ab initio', using the particle-in-cell--Monte Carlo collision method. To avoid the large computational expenses due to small time steps, the relaxation of simulated plume plasma is split into the fast relaxation of the electrons distribution function and the slow one of the ions. The model is self-consistent but hybrid, since the simultaneous electron and ion motion is not really modeled. The obtained electron temperature profile is in good agreement with experiment.

  15. A hybrid 2-zone/WAVE engine combustion model for simulating combustion instabilities during dilute operation

    SciTech Connect

    Edwards, Kevin Dean; Wagner, Robert M; Chakravarthy, Veerathu K; Daw, C Stuart; Green Jr, Johney Boyd

    2006-01-01

    Internal combustion engines are operated under conditions of high exhaust gas recirculation (EGR) to reduce NO x emissions and promote enhanced combustion modes such as HCCI. However, high EGR under certain conditions also promotes nonlinear feedback between cycles, leading to the development of combustion instabilities and cyclic variability. We employ a two-zone phenomenological combustion model to simulate the onset of combustion instabilities under highly dilute conditions and to illustrate the impact of these instabilities on emissions and fuel efficiency. The two-zone in-cylinder combustion model is coupled to a WAVE engine-simulation code through a Simulink interface, allowing rapid simulation of several hundred successive engine cycles with many external engine parametric effects included. We demonstrate how this hybrid model can be used to study strategies for adaptive feedback control to reduce cyclic combustion instabilities and, thus, preserve fuel efficiency and reduce emissions.

  16. GTKDynamo: a PyMOL plug-in for QC/MM hybrid potential simulations

    PubMed Central

    Bachega, José Fernando R.; Timmers, Luís Fernando S.M.; Assirati, Lucas; Bachega, Leonardo R.; Field, Martin J.; Wymore, Troy

    2014-01-01

    Hybrid quantum chemical (QC)/molecular mechanical (MM) potentials are very powerful tools for molecular simulation. They are especially useful for studying processes in condensed phase systems, such as chemical reactions, that involve a relatively localized change in electronic structure and where the surrounding environment contributes to these changes but can be represented with more computationally efficient functional forms. Despite their utility, however, these potentials are not always straightforward to apply since the extent of significant electronic structure changes occurring in the condensed phase process may not be intuitively obvious. To facilitate their use we have developed an open-source graphical plug-in, GTKDynamo, that links the PyMOL visualization program and the pDynamo QC/MM simulation library. This article describes the implementation of GTKDynamo and its capabilities and illustrates its application to QC/MM simulations. PMID:24137667

  17. A comparison of simulated precipitation by hybrid isentropic-sigma and sigma models

    NASA Technical Reports Server (NTRS)

    Johnson, Donald R.; Zapotocny, Tom H.; Reames, Fred M.; Wolf, Bart J.; Pierce, R. B.

    1993-01-01

    Simulations of dry and moist baroclinic development from 10- and 22-layer hybrid isentropic-sigma coordinate models are compared with those from 11-, 27-, and 35-layer sigma coordinate models. The ability of the models to transport water vapor and simulate equivalent potential temperature is examined. Predictions of the timing, location, and amount of precipitation are compared. Several analytical distributions of water vapor are specified initially. It is shown that when the relative humidity is vertically uniform through a substantial extent of the atmosphere, all the models produce very similar precipitation distributions. However, when water vapor is confined to relatively shallow layers, the ability of the sigma coordinate models to simulate the timing, location, and amount of precipitation is severely compromised.

  18. Theory and simulation of lower-hybrid drift instability for current sheet with guide field

    SciTech Connect

    Yoon, P. H.; Lin, Y.; Wang, X. Y.; Lui, A. T. Y.

    2008-11-15

    The stability of a thin current sheet with a finite guide field is investigated in the weak guide-field limit by means of linear theory and simulation. The emphasis is placed on the lower-hybrid drift instability (LHDI) propagating along the current flow direction. Linear theory is compared against the two-dimensional linear simulation based on the gyrokinetic electron/fully kinetic ion code. LHDI is a flute mode characterized by k{center_dot}B{sub total}=0; hence, it is stabilized by a finite guide field if one is confined to k vector strictly parallel to the cross-field current. Comparison of the theory and simulation shows qualitatively good agreement.

  19. An Investigation of a Hybrid Mixing Model for PDF Simulations of Turbulent Premixed Flames

    NASA Astrophysics Data System (ADS)

    Zhou, Hua; Li, Shan; Wang, Hu; Ren, Zhuyin

    2015-11-01

    Predictive simulations of turbulent premixed flames over a wide range of Damköhler numbers in the framework of Probability Density Function (PDF) method still remain challenging due to the deficiency in current micro-mixing models. In this work, a hybrid micro-mixing model, valid in both the flamelet regime and broken reaction zone regime, is proposed. A priori testing of this model is first performed by examining the conditional scalar dissipation rate and conditional scalar diffusion in a 3-D direct numerical simulation dataset of a temporally evolving turbulent slot jet flame of lean premixed H2-air in the thin reaction zone regime. Then, this new model is applied to PDF simulations of the Piloted Premixed Jet Burner (PPJB) flames, which are a set of highly shear turbulent premixed flames and feature strong turbulence-chemistry interaction at high Reynolds and Karlovitz numbers. Supported by NSFC 51476087 and NSFC 91441202.

  20. X-ray optics simulation and beamline design using a hybrid method: diffraction-limited focusing mirrors

    NASA Astrophysics Data System (ADS)

    Shi, Xianbo; Reininger, Ruben; Sánchez del Río, Manuel; Qian, Jun; Assoufid, Lahsen

    2014-09-01

    A hybrid method combining ray-tracing and wavefront propagation was recently developed for X-ray optics simulation and beamline design optimization. One major application of the hybrid method is its ability to assess the effects of figure errors on the performance of focusing mirrors. In the present work, focusing profiles of mirrors with different figure errors are simulated using three available wave optics methods: the hybrid code based on the Fourier optics approach, the stationary phase approximation and a technique based on the direct Fresnel-Kirchhoff diffraction integral. The advantages and limitations of each wave optics method are discussed. We also present simulations performed using the figure errors of an elliptical cylinder mirror measured at APS using microstitching interferometry. These results show that the hybrid method provides accurate and quick evaluation of the expected mirror performance making it a useful tool for designing diffraction-limited focusing beamlines.

  1. Simulated Fuel Economy and Emissions Performance during City and Interstate Driving for a Heavy-Duty Hybrid Truck

    SciTech Connect

    Daw, C. Stuart; Gao, Zhiming; Smith, David E.; Laclair, Tim J.; Pihl, Josh A.; Edwards, K. Dean

    2013-04-08

    We compare simulated fuel economy and emissions for both conventional and hybrid class 8 heavy-duty diesel trucks operating over multiple urban and highway driving cycles. Both light and heavy freight loads were considered, and all simulations included full aftertreatment for NOx and particulate emissions controls. The aftertreatment components included a diesel oxidation catalyst (DOC), urea-selective catalytic NOx reduction (SCR), and a catalyzed diesel particulate filter (DPF). Our simulated hybrid powertrain was configured with a pre-transmission parallel drive, with a single electric motor between the clutch and gearbox. A conventional HD truck with equivalent diesel engine and aftertreatment was also simulated for comparison. Our results indicate that hybridization can significantly increase HD fuel economy and improve emissions control in city driving. However, there is less potential hybridization benefit for HD highway driving. A major factor behind the reduced hybridization benefit for highway driving is that there are fewer opportunities to utilize regenerative breaking. Our aftertreatment simulations indicate that opportunities for passive DPF regeneration are much greater for both hybrid and conventional trucks during highway driving due to higher sustained exhaust temperatures. When passive DPF regeneration is extensively utilized, the fuel penalty for particulate control is virtually eliminated, except for the 0.4%-0.9% fuel penalty associated with the slightly higher exhaust backpressure.

  2. 2D-3D hybrid stabilized finite element method for tsunami runup simulations

    NASA Astrophysics Data System (ADS)

    Takase, S.; Moriguchi, S.; Terada, K.; Kato, J.; Kyoya, T.; Kashiyama, K.; Kotani, T.

    2016-09-01

    This paper presents a two-dimensional (2D)-three-dimensional (3D) hybrid stabilized finite element method that enables us to predict a propagation process of tsunami generated in a hypocentral region, which ranges from offshore propagation to runup to urban areas, with high accuracy and relatively low computational costs. To be more specific, the 2D shallow water equation is employed to simulate the propagation of offshore waves, while the 3D Navier-Stokes equation is employed for the runup in urban areas. The stabilized finite element method is utilized for numerical simulations for both of the 2D and 3D domains that are independently discretized with unstructured meshes. The multi-point constraint and transmission methods are applied to satisfy the continuity of flow velocities and pressures at the interface between the resulting 2D and 3D meshes, since neither their spatial dimensions nor node arrangements are consistent. Numerical examples are presented to demonstrate the performance of the proposed hybrid method to simulate tsunami behavior, including offshore propagation and runup to urban areas, with substantially lower computation costs in comparison with full 3D computations.

  3. Stochastic analysis and simulation of hydrometeorological processes for optimizing hybrid renewable energy systems

    NASA Astrophysics Data System (ADS)

    Tsekouras, Georgios; Ioannou, Christos; Efstratiadis, Andreas; Koutsoyiannis, Demetris

    2013-04-01

    The drawbacks of conventional energy sources including their negative environmental impacts emphasize the need to integrate renewable energy sources into energy balance. However, the renewable sources strongly depend on time varying and uncertain hydrometeorological processes, including wind speed, sunshine duration and solar radiation. To study the design and management of hybrid energy systems we investigate the stochastic properties of these natural processes, including possible long-term persistence. We use wind speed and sunshine duration time series retrieved from a European database of daily records and we estimate representative values of the Hurst coefficient for both variables. We conduct simultaneous generation of synthetic time series of wind speed and sunshine duration, on yearly, monthly and daily scale. To this we use the Castalia software system which performs multivariate stochastic simulation. Using these time series as input, we perform stochastic simulation of an autonomous hypothetical hybrid renewable energy system and optimize its performance using genetic algorithms. For the system design we optimize the sizing of the system in order to satisfy the energy demand with high reliability also minimizing the cost. While the simulation scale is the daily, a simple method allows utilizing the subdaily distribution of the produced wind power. Various scenarios are assumed in order to examine the influence of input parameters, such as the Hurst coefficient, and design parameters such as the photovoltaic panel angle.

  4. A case study of proton precipitation at Mars: Mars Express observations and hybrid simulations

    NASA Astrophysics Data System (ADS)

    Diéval, C.; Kallio, E.; Barabash, S.; Stenberg, G.; Nilsson, H.; Futaana, Y.; Holmström, M.; Fedorov, A.; Frahm, R. A.; Jarvinen, R.; Brain, D. A.

    2012-06-01

    Using the data from the Analyzer of Space Plasma and Energetic Atoms (ASPERA-3) experiment on board Mars Express and hybrid simulations, we have investigated the entry of protons into the Martian induced magnetosphere. We discuss one orbit on the dayside with observations of significant proton fluxes at altitudes down to 260 km on 27 February 2004. The protons observed below the induced magnetosphere boundary at an altitude of less than 700 km have energies of a few keV, travel downward, and precipitate onto the atmosphere. The measured energy flux and particle flux are 108-109 eV cm-2 s-1 and 105-106 H+ cm-2 s-1, respectively. The proton precipitation occurs because the Martian magnetosheath is small with respect to the heated proton gyroradius in the subsolar region. The data suggest that the precipitation is not permanent but may occur when there are transient increases in the magnetosheath proton temperature. The higher-energy protons penetrate deeper because of their larger gyroradii. The proton entry into the induced magnetosphere is simulated using a hybrid code. A simulation using a fast solar wind as input can reproduce the high energies of the observed precipitating protons. The model shows that the precipitating protons originate from both the solar wind and the planetary exosphere. The precipitation extends over a few thousand kilometers along the orbit of the spacecraft. The proton precipitation does not necessarily correlate with the crustal magnetic anomalies.

  5. Real time hybrid simulation with online model updating: An analysis of accuracy

    NASA Astrophysics Data System (ADS)

    Ou, Ge; Dyke, Shirley J.; Prakash, Arun

    2017-02-01

    In conventional hybrid simulation (HS) and real time hybrid simulation (RTHS) applications, the information exchanged between the experimental substructure and numerical substructure is typically restricted to the interface boundary conditions (force, displacement, acceleration, etc.). With additional demands being placed on RTHS and recent advances in recursive system identification techniques, an opportunity arises to improve the fidelity by extracting information from the experimental substructure. Online model updating algorithms enable the numerical model of components (herein named the target model), that are similar to the physical specimen to be modified accordingly. This manuscript demonstrates the power of integrating a model updating algorithm into RTHS (RTHSMU) and explores the possible challenges of this approach through a practical simulation. Two Bouc-Wen models with varying levels of complexity are used as target models to validate the concept and evaluate the performance of this approach. The constrained unscented Kalman filter (CUKF) is selected for using in the model updating algorithm. The accuracy of RTHSMU is evaluated through an estimation output error indicator, a model updating output error indicator, and a system identification error indicator. The results illustrate that, under applicable constraints, by integrating model updating into RTHS, the global response accuracy can be improved when the target model is unknown. A discussion on model updating parameter sensitivity to updating accuracy is also presented to provide guidance for potential users.

  6. High-resolution 2D3V simulations of forced hybrid-kinetic turbulence

    NASA Astrophysics Data System (ADS)

    Cerri, Silvio Sergio; Califano, Francesco; Rincon, Francois; Told, Daniel; Jenko, Frank; Pegoraro, Francesco

    2016-10-01

    The understanding of the kinetic processes at play in plasma turbulence is a frontier problem in plasma physics and among the topics currently of most interest in space plasma research. Here we investigate the properties of turbulence from the end of the magnetohydrodynamic (MHD) cascade to scales well below the ion gyroradius (i.e., the so-called ``dissipation'' or ``dispersion'' range) by means of unprecedented high-resolution simulations of forced hybrid-kinetic turbulence in a 2D3V phase-space (two real-space and three velocity-space dimensions). Different values of the plasma beta parameter typical of the solar wind (SW) are investigated. Several aspects of turbulence at small-scales emerging from the simulations are presented and discussed. Even within the limitations of the hybrid approach in 2D3V, a reasonable agreement with SW observations and with theory is found. Finally, we identify possible implications and questions related to SW turbulence which arise from this study. This research has been funded by European Union's Seventh Framework Programme (FP7/2007-2013)/ERC Grant Agreement No.277870 and by Euratom research and training programme 2014-2018. Simulations were performed on Fermi (CINECA, IT) and Hydra (MPCDF, DE).

  7. Synthesis of 1D-glyconanomaterials by a hybrid noncovalent-covalent functionalization of single wall carbon nanotubes: a study of their selective interactions with lectins and with live cells.

    PubMed

    Pernía Leal, M; Assali, M; Cid, J J; Valdivia, V; Franco, J M; Fernández, I; Pozo, D; Khiar, N

    2015-12-07

    To take full advantage of the remarkable applications of carbon nanotubes in different fields, there is a need to develop effective methods to improve their water dispersion and biocompatibility while maintaining their physical properties. In this sense, current approaches suffer from serious drawbacks such as loss of electronic structure together with low surface coverage in the case of covalent functionalizations, or instability of the dynamic hybrids obtained by non-covalent functionalizations. In the present work, we examined the molecular basis of an original strategy that combines the advantages of both functionalizations without their main drawbacks. The hierarchical self-assembly of diacetylenic-based neoglycolipids into highly organized and compacted rings around the nanotubes, followed by photopolymerization leads to the formation of nanotubes covered with glyconanorings with a shish kebab-type topology exposing the carbohydrate ligands to the water phase in a multivalent fashion. The glyconanotubes obtained are fully functional, and able to establish specific interactions with their cognate receptors. In fact, by taking advantage of this selective binding, an easy method to sense lectins as a working model of toxin detection was developed based on a simple analysis of TEM images. Remarkably, different experimental settings to assess cell membrane integrity, cell growth kinetics and cell cycle demonstrated the cellular biocompatibility of the sugar-coated carbon nanotubes compared to pristine single-walled carbon nanotubes.

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

    PubMed

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

    2017-02-22

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

  9. Haptic simulation of organ deformation and hybrid contacts in dental operations.

    PubMed

    Wang, Dangxiao; Shi, Youjiao; Liu, Shuai; Zhang, Yuru; Xiao, Jing

    2014-03-01

    There are two main challenges in simulating bi-manual dental operations with six-degrees-of-freedom (6-DoF) haptic rendering. One is to simulate large deformation and force response of a tongue under multi-region contacts with a dental mirror, and the other is to simulate the force response when a dental probe inserts into a narrow periodontal pocket, which leads to simultaneous contacts of different types between the probe and both rigid and deformable objects (i.e., a rigid tooth and its surrounding deformable gingiva), which we call hybrid contacts, as well as frequent contact switches. In this paper, we address both challenges. We first introduce a novel method for modeling deformation based on a sphere-tree representation of deformable objects. A configuration-based constrained optimization method is utilized for determining the six-dimensional configuration of the graphic tool and the contact force/torque. This approach conducts collision detection, deformation computation, and tool configuration optimization very efficiently, avoids inter-penetration, and maintains stability of haptic display without using virtual coupling. To simulate the force response due to fine manipulation of the probe inside a narrow periodontal pocket, we propose an efficient method to simulate the local deformation of the gingiva and stable haptic feedback under frequent contact switches. Simulations on typical dental operations were carried out to validate the efficiency and stability of our approach.

  10. Polar discontinuities and 1D interfaces in monolayered materials

    NASA Astrophysics Data System (ADS)

    Martinez-Gordillo, Rafael; Pruneda, Miguel

    2015-12-01

    Interfaces are the birthplace of a multitude of fascinating discoveries in fundamental science, and have enabled modern electronic devices, from transistors, to lasers, capacitors or solar cells. These interfaces between bulk materials are always bi-dimensional (2D) 'surfaces'. However the advent of graphene and other 2D crystals opened up a world of possibilities, as in this case the interfaces become one-dimensional (1D) lines. Although the properties of 1D nanoribbons have been extensively discussed in the last few years, 1D interfaces within infinite 2D systems had remained mostly unexplored until very recently. These include grain boundaries in polycrystalline samples, or interfaces in hybrid 2D sheets composed by segregated domains of different materials (as for example graphene/BN hybrids, or chemically different transition metal dichalcogenides). As for their 2D counterparts, some of these 1D interfaces exhibit polar characteristics, and can give rise to fascinating new physical properties. Here, recent experimental discoveries and theoretical predictions on the polar discontinuities that arise at these 1D interfaces will be reviewed, and the perspectives of this new research topic, discussed.

  11. Commuter simulation of lithium-ion battery performance in hybrid electric vehicles.

    SciTech Connect

    Nelson, P. A.; Henriksen, G. L.; Amine, K.

    2000-12-04

    In this study, a lithium-ion battery was designed for a hybrid electric vehicle, and the design was tested by a computer program that simulates driving of a vehicle on test cycles. The results showed that the performance goals that have been set for such batteries by the Partnership for a New Generation of Vehicles are appropriate. The study also indicated, however, that the heat generation rate in the battery is high, and that the compact lithium-ion battery would probably require cooling by a dielectric liquid for operation under conditions of vigorous vehicle driving.

  12. 3-D Hybrid Simulation of Quasi-Parallel Bow Shock and Its Effects on the Magnetosphere

    SciTech Connect

    Lin, Y.; Wang, X.Y.

    2005-08-01

    A three-dimensional (3-D) global-scale hybrid simulation is carried out for the structure of the quasi-parallel bow shock, in particular the foreshock waves and pressure pulses. The wave evolution and interaction with the dayside magnetosphere are discussed. It is shown that diamagnetic cavities are generated in the turbulent foreshock due to the ion beam plasma interaction, and these compressional pulses lead to strong surface perturbations at the magnetopause and Alfven waves/field line resonance in the magnetosphere.

  13. Numerical Simulations for Insect `Clap and Fling' with Unsteady Incompressible Solver on Dynamic Hybrid Grids

    NASA Astrophysics Data System (ADS)

    Zhang, L. P.; Chang, X. H.; Duan, X. P.; Zhang, H. X.

    For very insect such as tiny wasp Encarsaria Formosa, Weis-Fogh found that the ‘clap-fling’ mechanism of their wings is the main cause for their large lift. In this paper, we simulate the motion numerically and analyze the generation of large lift by the wings with an unsteady incompressible flow solver based on dynamic hybrid mesh. Both one wing flapping and two wings ‘clap and fling’ are considered in the Reynolds number range of 8-128, the difference on flow structures and aerodynamic forces are compared with each other, and then high lift mechanism is analyzed.

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

    NASA Astrophysics Data System (ADS)

    Bert, Julien; Lemaréchal, Yannick; Visvikis, Dimitris

    2016-05-01

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

  15. Self-consistent hybrid neoclassical-magnetohydrodynamic simulations of axisymmetric plasmas

    NASA Astrophysics Data System (ADS)

    Lyons, Brendan Carrick

    Neoclassical effects (e.g., conductivity reduction and bootstrap currents) have a profound impact on many magnetohydrodynamic (MHD) instabilities in toroidally-confined plasmas, including tearing modes, edge-localized modes, and resistive wall modes. High-fidelity simulations of such phenomena require a multiphysics code that self-consistently couples the kinetic and fluid models. We review a hybrid formulation from the recent literatureAB that is appropriate for such studies. In particular, the formulation uses a set of time-dependent drift-kinetic equations (DKEs) to advance the non-Maxwellian part of the electron and ion distribution functions (fNM) with linearized Fokker-Planck-Landau collision operators. The form of the DKEs used were derived in a Chapman-Enskog-like fashion, ensuring that fNM carries no density, momentum, or temperature. Rather, these quantities are contained within the background Maxwellian and are evolved by a set of MHD equations which are closed by moments of fNM . We then present two DKE solvers based upon this formulation in axisymmetric toroidal geometries. The Neoclassical Ion-Electron Solver (NIES) solves the steady-state DKEs in the low-collisionality limit. Convergence and benchmark studies are discussed, providing a proof-of-principle that this new formulation can accurately reproduce results from the literature in the limit considered. We then present the DK4D code which evolves the finite-collisionality DKEs time-dependently. Computational methods used and successful benchmarks to other neoclassical models and codes are discussed. Furthermore, we couple DK4D to a reduced, transport-timescale MHD code. The resulting hybrid code is used to simulate the evolution of the current density in a large-aspect-ratio plasma in the presence of several different time-dependent pressure profiles. These simulations demonstrate the self-consistent, dynamic formation of the ohmic and bootstrap currents. In the slowly-evolving plasmas considered

  16. Synthesis of 1D-glyconanomaterials by a hybrid noncovalent-covalent functionalization of single wall carbon nanotubes: a study of their selective interactions with lectins and with live cells

    NASA Astrophysics Data System (ADS)

    Pernía Leal, M.; Assali, M.; Cid, J. J.; Valdivia, V.; Franco, J. M.; Fernández, I.; Pozo, D.; Khiar, N.

    2015-11-01

    To take full advantage of the remarkable applications of carbon nanotubes in different fields, there is a need to develop effective methods to improve their water dispersion and biocompatibility while maintaining their physical properties. In this sense, current approaches suffer from serious drawbacks such as loss of electronic structure together with low surface coverage in the case of covalent functionalizations, or instability of the dynamic hybrids obtained by non-covalent functionalizations. In the present work, we examined the molecular basis of an original strategy that combines the advantages of both functionalizations without their main drawbacks. The hierarchical self-assembly of diacetylenic-based neoglycolipids into highly organized and compacted rings around the nanotubes, followed by photopolymerization leads to the formation of nanotubes covered with glyconanorings with a shish kebab-type topology exposing the carbohydrate ligands to the water phase in a multivalent fashion. The glyconanotubes obtained are fully functional, and able to establish specific interactions with their cognate receptors. In fact, by taking advantage of this selective binding, an easy method to sense lectins as a working model of toxin detection was developed based on a simple analysis of TEM images. Remarkably, different experimental settings to assess cell membrane integrity, cell growth kinetics and cell cycle demonstrated the cellular biocompatibility of the sugar-coated carbon nanotubes compared to pristine single-walled carbon nanotubes.To take full advantage of the remarkable applications of carbon nanotubes in different fields, there is a need to develop effective methods to improve their water dispersion and biocompatibility while maintaining their physical properties. In this sense, current approaches suffer from serious drawbacks such as loss of electronic structure together with low surface coverage in the case of covalent functionalizations, or instability of

  17. Generalized Metropolis acceptance criterion for hybrid non-equilibrium molecular dynamics—Monte Carlo simulations

    SciTech Connect

    Chen, Yunjie; Roux, Benoît

    2015-01-14

    A family of hybrid simulation methods that combines the advantages of Monte Carlo (MC) with the strengths of classical molecular dynamics (MD) consists in carrying out short non-equilibrium MD (neMD) trajectories to generate new configurations that are subsequently accepted or rejected via an MC process. In the simplest case where a deterministic dynamic propagator is used to generate the neMD trajectories, the familiar Metropolis acceptance criterion based on the change in the total energy ΔE, min[1,  exp( − βΔE)], guarantees that the hybrid algorithm will yield the equilibrium Boltzmann distribution. However, the functional form of the acceptance probability is more complex when the non-equilibrium switching process is generated via a non-deterministic stochastic dissipative propagator coupled to a heat bath. Here, we clarify the conditions under which the Metropolis criterion remains valid to rigorously yield a proper equilibrium Boltzmann distribution within hybrid neMD-MC algorithm.

  18. Increasing the sampling efficiency of protein conformational transition using velocity-scaling optimized hybrid explicit/implicit solvent REMD simulation

    SciTech Connect

    Yu, Yuqi; Wang, Jinan; Shao, Qiang E-mail: Jiye.Shi@ucb.com Zhu, Weiliang E-mail: Jiye.Shi@ucb.com; Shi, Jiye E-mail: Jiye.Shi@ucb.com

    2015-03-28

    The application of temperature replica exchange molecular dynamics (REMD) simulation on protein motion is limited by its huge requirement of computational resource, particularly when explicit solvent model is implemented. In the previous study, we developed a velocity-scaling optimized hybrid explicit/implicit solvent REMD method with the hope to reduce the temperature (replica) number on the premise of maintaining high sampling efficiency. In this study, we utilized this method to characterize and energetically identify the conformational transition pathway of a protein model, the N-terminal domain of calmodulin. In comparison to the standard explicit solvent REMD simulation, the hybrid REMD is much less computationally expensive but, meanwhile, gives accurate evaluation of the structural and thermodynamic properties of the conformational transition which are in well agreement with the standard REMD simulation. Therefore, the hybrid REMD could highly increase the computational efficiency and thus expand the application of REMD simulation to larger-size protein systems.

  19. Ilizarov hybrid external fixation for fractures of the distal radius: Part II. Internal fixation versus Ilizarov hybrid external fixation: Stability as assessed by cadaveric simulated motion testing.

    PubMed

    Dunning, C E; Lindsay, C S; Bicknell, R T; Johnson, J A; King, G J; Patterson, S D

    2001-03-01

    The in vitro stability of an Ilizarov hybrid external fixator was compared with that of a dorsal 3.5-mm AO T-plate in 8 unpaired, fresh-frozen upper extremities. A specially designed testing device that used computer-controlled pneumatic actuators was used to simulate active finger, wrist, and forearm motions by applying loads to relevant tendons. A comminuted extra-articular distal radius fracture was modelled using a dorsally based wedge osteotomy. Fracture stability was assessed using an electromagnetic tracking device to measure motion across the fracture site after randomized application of the plate and the hybrid fixator. During simulated finger and wrist motions with the forearm pronated or supinated, motion of the distal fragment with the hybrid fixator applied was comparable to or statistically less than with the AO plate applied. During simulated forearm rotation, the stability provided by the 2 fixation types was similar, although the plate allowed statistically less radial-ulnar deviation of the fragment. In this model of a 2-part extra-articular distal radius fracture, the clinically meaningful stability of the Ilizarov hybrid external fixator was comparable to that of the dorsal AO plate.

  20. Comparative urban drive cycle simulations of light-duty hybrid vehicles with gasoline or diesel engines and emissions controls

    SciTech Connect

    Gao, Zhiming; Daw, C Stuart; Smith, David E

    2013-01-01

    Electric hybridization is a very effective approach for reducing fuel consumption in light-duty vehicles. Lean combustion engines (including diesels) have also been shown to be significantly more fuel efficient than stoichiometric gasoline engines. Ideally, the combination of these two technologies would result in even more fuel efficient vehicles. However, one major barrier to achieving this goal is the implementation of lean-exhaust aftertreatment that can meet increasingly stringent emissions regulations without heavily penalizing fuel efficiency. We summarize results from comparative simulations of hybrid electric vehicles with either stoichiometric gasoline or diesel engines that include state-of-the-art aftertreatment emissions controls for both stoichiometric and lean exhaust. Fuel consumption and emissions for comparable gasoline and diesel light-duty hybrid electric vehicles were compared over a standard urban drive cycle and potential benefits for utilizing diesel hybrids were identified. Technical barriers and opportunities for improving the efficiency of diesel hybrids were identified.

  1. Digital quantum simulators in a scalable architecture of hybrid spin-photon qubits.

    PubMed

    Chiesa, Alessandro; Santini, Paolo; Gerace, Dario; Raftery, James; Houck, Andrew A; Carretta, Stefano

    2015-11-13

    Resolving quantum many-body problems represents one of the greatest challenges in physics and physical chemistry, due to the prohibitively large computational resources that would be required by using classical computers. A solution has been foreseen by directly simulating the time evolution through sequences of quantum gates applied to arrays of qubits, i.e. by implementing a digital quantum simulator. Superconducting circuits and resonators are emerging as an extremely promising platform for quantum computation architectures, but a digital quantum simulator proposal that is straightforwardly scalable, universal, and realizable with state-of-the-art technology is presently lacking. Here we propose a viable scheme to implement a universal quantum simulator with hybrid spin-photon qubits in an array of superconducting resonators, which is intrinsically scalable and allows for local control. As representative examples we consider the transverse-field Ising model, a spin-1 Hamiltonian, and the two-dimensional Hubbard model and we numerically simulate the scheme by including the main sources of decoherence.

  2. Digital quantum simulators in a scalable architecture of hybrid spin-photon qubits

    PubMed Central

    Chiesa, Alessandro; Santini, Paolo; Gerace, Dario; Raftery, James; Houck, Andrew A.; Carretta, Stefano

    2015-01-01

    Resolving quantum many-body problems represents one of the greatest challenges in physics and physical chemistry, due to the prohibitively large computational resources that would be required by using classical computers. A solution has been foreseen by directly simulating the time evolution through sequences of quantum gates applied to arrays of qubits, i.e. by implementing a digital quantum simulator. Superconducting circuits and resonators are emerging as an extremely promising platform for quantum computation architectures, but a digital quantum simulator proposal that is straightforwardly scalable, universal, and realizable with state-of-the-art technology is presently lacking. Here we propose a viable scheme to implement a universal quantum simulator with hybrid spin-photon qubits in an array of superconducting resonators, which is intrinsically scalable and allows for local control. As representative examples we consider the transverse-field Ising model, a spin-1 Hamiltonian, and the two-dimensional Hubbard model and we numerically simulate the scheme by including the main sources of decoherence. PMID:26563516

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

    SciTech Connect

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

    2015-05-10

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

  4. Hybrid Lattice Boltzmann Method for the Simulation of Blending Process in Static Mixers

    NASA Astrophysics Data System (ADS)

    Latt, Jonas; Kontaxakis, Dimitrios; Chatagny, Laurent; Muggli, Felix; Chopard, Bastien

    2013-12-01

    A lattice Boltzmann method is proposed to simulate the blending of two fluids in static, laminar mixers. The method uses a mesh-based algorithm to solve for the fluid flow, and a meshless technique to trace the interface between the blended fluids. This hybrid approach is highly accurate, because the position of the interface can be traced beyond the resolution of the grid. The numerical diffusion is negligible in this model, and it is possible to reproduce mixing patterns that contain more than one hundred striations with high fidelity. The implementation of this method in the massively parallel library Palabos is presented, and simulation results are compared with experimental data to emphasize the accuracy of the results.

  5. Enhancing medical device training with hybrid physical-virtual simulators: smart peripherals for virtual devices.

    PubMed

    Samosky, Joseph T; Thornburg, Andrew; Karkhanis, Tushar; Petraglia, Frank; Strickler, Elise; Nelson, Douglas A; Weaver, Robert A; Robinson, Evan

    2013-01-01

    We introduce a novel platform for medical device training: hybrid physical-virtual simulators of medical devices, combining touchscreen-enabled virtual emulations of real devices with sensorized physical peripherals to enable tactile, hands-on interaction between the trainee, simulated device and standardized patients or mannequins. The system enables objective measurement and recording of trainee performance, including interactions with both the virtual device elements and the physical components, and can include metrics and feedback not available in the real device. The system also includes an integrated wireless signaling device for use with standardized patients. We present the implementation of an example system, a virtual defibrillator with sensorized paddles and wireless signaling of successful defibrillator operation.

  6. Numerical Simulation of Cavitation Phenomena for Hybrid Contra-Rotating Shaft Propellers

    NASA Astrophysics Data System (ADS)

    Kim, Sung-Hoon; Choo, Sung-Han; Park, Jeong-Yong; Choi, Gil-Hwan

    2015-12-01

    This paper deals with a numerical simulation of cavitation flow around a hybrid contra-rotating shaft propeller operating in wake field. The simulation for the cavitating flow is performed for straight operating and turning condition of podded propeller located behind the main propeller using unsteady Reynolds-Averaged Navier-Stokes. The behavior of the main propeller is almost similar regardless of the turning angle. In contrast, the cavitation behavior of the podded propeller depending on the turning angle appears to be entirely different due to the change of the load distribution on the podded propeller. At the large angle of the turning condition, the unstable cavity flow due to the large amount of cavitation and the hub vortex separated from the forward propeller as well as face cavitation is observed. Thus, a great caution on the cavitation phenomena is needed when designing and operating the HCRSP.

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

    NASA Astrophysics Data System (ADS)

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

    2017-04-01

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

  8. The hybrid bio-inspired aerial vehicle: Concept and SIMSCAPE flight simulation.

    PubMed

    Tao Zhang; Su, Steven; Nguyen, Hung T

    2016-08-01

    This paper introduces a Silver Gull-inspired hybrid aerial vehicle, the Super Sydney Silver Gull (SSSG), which is able to vary its structure, under different manoeuvre requirements, to implement three flight modes: the flapping wing flight, the fixed wing flight, and the quadcopter flight (the rotary wing flight of Unmanned Air Vehicle). Specifically, through proper mechanism design and flight mode transition, the SSSG can imitate the Silver Gull's flight gesture during flapping flight, save power consuming by switching to the fixed wing flight mode during long-range cruising, and hover at targeted area when transferring to quadcopter flight mode. Based on the aerodynamic models, the Simscape, a product of MathWorks, is used to simulate and analyse the performance of the SSSG's flight modes. The entity simulation results indicate that the created SSSG's 3D model is feasible and ready to be manufactured for further flight tests.

  9. Fast surrogate-assisted simulation-driven optimization of compact microwave hybrid couplers

    NASA Astrophysics Data System (ADS)

    Kurgan, Piotr; Koziel, Slawomir

    2016-07-01

    This work presents a robust methodology for expedited simulation-driven design optimization of compact microwave hybrid couplers. The technique relies on problem decomposition, and a bottom-up design strategy, starting from the level of basic building blocks of the coupler, and finishing with a tuning procedure that exploits a fast surrogate model of the entire structure. The latter is constructed by cascading local response surface approximations of coupler elementary elements. The cross-coupling effects within the structure are neglected in the first stage of the design process; however, they are accounted for in the tuning phase by means of space-mapping correction of the surrogate. The proposed approach is demonstrated through the design of a compact rat-race and two branch-line couplers. In all cases, the computational cost of the optimization process is very low and corresponds to just a few high-fidelity electromagnetic simulations of respective structures. Experimental validation is also provided.

  10. The role of electron polarization current in the hybrid simulation model

    NASA Astrophysics Data System (ADS)

    Amano, T.; Higashimori, K.; Shirakawa, K.

    2013-12-01

    The hybrid model (kinetic ions and fluid electrons) has been considered to be a useful numerical method to study nonlinear plasma phenomena in which the macroscopic MHD approximation breaks down due to ion-scale kinetic physics. It is, however, known that this method is vulnerable to a numerical instability when dealing with short-wavelength whistler waves. Although it formally allows such ion-scale physics to play a role, this instability severely limits the applicability of simulations to relatively large scales. Overcoming this problem certainly makes it much more useful. Here we consider the role of electrons that can physically stabilize the simulation. By analyzing the linearlized magnetic field induction equation including the Hall term, we find that the problem of advancing the magnetic field from ion moment quantities becomes ill-conditioned for waves on the whistler mode dispersion. Namely, even a small error contained in the ion fluid velocity would be amplified substantially, implying the existence of a numerical instability. Physically, the reason for this is due to the lack of the electron polarization current in the conventional hybrid model, which is indeed the dominant current for the whistler mode waves. One must therefore take into account a finite electron inertia effect in an appropriate manner to avoid the numerical problem. We propose a method that incorporates the electron polarization current without loosing advantages of the hybrid model. For this purpose, we have to resolve very high frequency electric-field fluctuations because averaging over them gives the slow polarization drift. This can be made possible by using the analytic solution to the full set of Maxwell's equations including the displacement current under some reasonable assumptions. We think the method can readily apply also to the Hall-MHD model as well.

  11. Ion cyclotron instability at Io: Hybrid simulation results compared to in situ observations

    NASA Astrophysics Data System (ADS)

    Šebek, Ondřej; Trávníček, Pavel M.; Walker, Raymond J.; Hellinger, Petr

    2016-08-01

    We present analysis of global three-dimensional hybrid simulations of Io's interaction with Jovian magnetospheric plasma. We apply a single-species model with simplified neutral-plasma chemistry and downscale Io in order to resolve the ion kinetic scales. We consider charge exchange, electron impact ionization, and photoionization by using variable rates of these processes to investigate their impact. Our results are in a good qualitative agreement with the in situ magnetic field measurements for five Galileo flybys around Io. The hybrid model describes ion kinetics self-consistently. This allows us to assess the distribution of temperature anisotropies around Io and thereby determine the possible triggering mechanism for waves observed near Io. We compare simulated dynamic spectra of magnetic fluctuations with in situ observations made by Galileo. Our results are consistent with both the spatial distribution and local amplitude of magnetic fluctuations found in the observations. Cyclotron waves, triggered probably by the growth of ion cyclotron instability, are observed mainly downstream of Io and on the flanks in regions farther from Io where the ion pickup rate is relatively low. Growth of the ion cyclotron instability is governed mainly by the charge exchange rate.

  12. Hybrid Kinetic and Radiative Hydrodynamic Simulations of Solar Flares and Comparison With Multiwavelength Observations

    NASA Astrophysics Data System (ADS)

    Rubio Da Costa, Fatima; Petrosian, Vahe; Liu, Wei; Carlsson, Mats; Kleint, Lucia

    2014-06-01

    We present a unified simulation which combines two physical processes: how the particles are accelerated and the energy is transported along a coronal loop, and how the atmosphere responds. The “flare” code from Stanford University (Petrosian et al, 2001) models the stochastic acceleration and transport of particles and radiation of solar flares. It includes pitch angle diffusion and energy loss, and computes collisional heating to the background plasma and bremsstrahlung emission along the loop. The radiative hydrodynamic RADYN Code (Carlsson et al, 1992, 1996; Allred et al, 2005) computes the energy transport by the injected non-thermal electrons at the top of a 1D coronal loop. Recently, we have combined the two codes by updating the non-thermal heating in the RADYN code from the "flare" code, allowing us to develop a self-consistent simulation. In addition, we can now model more realistically the multi-wavelength emission of solar flares and compare it with observations, e.g., at optical wavelengths from IBIS at the Dunn Solar Telescope and in X-rays from RHESSI. The high resolution UV observations from the recently launched IRIS imaging spectrograph will be particularly useful in this regard. These will allow us to compare numerically modeled and observed emissions of solar flares in several lines using more robust simulations than possible before.

  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. Plasma and wave properties downstream of Martian bow shock: Hybrid simulations and MAVEN observations

    NASA Astrophysics Data System (ADS)

    Dong, Chuanfei; Winske, Dan; Cowee, Misa; Bougher, Stephen W.; Andersson, Laila; Connerney, Jack; Epley, Jared; Ergun, Robert; McFadden, James P.; Ma, Yingjuan; Toth, Gabor; Curry, Shannon; Nagy, Andrew; Jakosky, Bruce

    2015-04-01

    Two-dimensional hybrid simulation codes are employed to investigate the kinetic properties of plasmas and waves downstream of the Martian bow shock. The simulations are two-dimensional in space but three dimensional in field and velocity components. Simulations show that ion cyclotron waves are generated by temperature anisotropy resulting from the reflected protons around the Martian bow shock. These proton cyclotron waves could propagate downward into the Martian ionosphere and are expected to heat the O+ layer peaked from 250 to 300 km due to the wave-particle interaction. The proton cyclotron wave heating is anticipated to be a significant source of energy into the thermosphere, which impacts atmospheric escape rates. The simulation results show that the specific dayside heating altitude depends on the Martian crustal field orientations, solar cycles and seasonal variations since both the cyclotron resonance condition and the non/sub-resonant stochastic heating threshold depend on the ambient magnetic field strength. The dayside magnetic field profiles for different crustal field orientation, solar cycle and seasonal variations are adopted from the BATS-R-US Mars multi-fluid MHD model. The simulation results, however, show that the heating of O+ via proton cyclotron wave resonant interaction is not likely in the relatively weak crustal field region, based on our simplified model. This indicates that either the drift motion resulted from the transport of ionospheric O+, or the non/sub-resonant stochastic heating mechanism are important to explain the heating of Martian O+ layer. We will investigate this further by comparing the simulation results with the available MAVEN data. These simulated ion cyclotron waves are important to explain the heating of Martian O+ layer and have significant implications for future observations.

  15. PHOTO: A computer simulation program for photovoltaic and hybrid energy systems. Document and user's guide

    NASA Astrophysics Data System (ADS)

    Manninen, L. M.; Lund, P. D.; Virkkula, A.

    1990-11-01

    The version 3.0 is described of the program package PHOTO for the simulation and sizing of hybrid power systems (photovoltaic and wind power plants) on IBM PC, XT, AT, PS/2 and compatibles. The minimum memory requirement is 260 kB. Graphical output is created with HALO'88 graphics subroutine library. In the simulation model, special attention is given to the battery storage unit. A backup generator can also be included in the system configuration. The dynamic method developed uses accurate system component models accounting for component interactions and losses in e.g. wiring and diodes. The photovoltaic array can operate in a maximum power mode or in a clamped voltage mode together with the other subsystems. Various control strategies can also be considered. Individual subsystem models were verified against real measurements. Illustrative simulation example is also discussed. The presented model can be used to simulate various system configurations accurately and evaluate system performance, such as energy flows and power losses in photovoltaic array, wind generator, backup generator, wiring, diodes, maximum power point tracking device, inverter and battery. Energy cost is also an important consideration.

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

  17. Application of recursive manipulator dynamics to hybrid software/hardware simulation

    NASA Technical Reports Server (NTRS)

    Hill, Christopher J.; Hopping, Kenneth A.; Price, Charles R.

    1989-01-01

    Computer simulations of robotic mechanisms have traditionally solved the dynamic equations of motion for an N degree of freedom manipulator by formulating an N dimensional matrix equation combining the accelerations and torques (forces) for all joints. The use of an alternative formulation that is strictly recursive is described. The dynamic solution proceeds on a joint by joint basis, so it is possible to perform inverse dynamics at arbitrary joints. The dynamic formulation is generalized with respect to both rotational and translational joints, and it is also directly extendable to branched manipulator chains. A hardware substitution test is described in which a servo drive motor was integrated with a simulated manipulator arm. The form of the dynamic equation permits calculation of acceleration given torque or vice versa. Computing torque as a function of acceleration is required for the hybrid software/hardware simulation test described. For this test, a joint servo motor is controlled in conjunction with the simulation, and the dynamic torque on the servo motor is provided by a load motor on a common driveshaft.

  18. Flexible Photodetectors Based on 1D Inorganic Nanostructures

    PubMed Central

    Lou, Zheng

    2015-01-01

    Flexible photodetectors with excellent flexibility, high mechanical stability and good detectivity, have attracted great research interest in recent years. 1D inorganic nanostructures provide a number of opportunities and capabilities for use in flexible photodetectors as they have unique geometry, good transparency, outstanding mechanical flexibility, and excellent electronic/optoelectronic properties. This article offers a comprehensive review of several types of flexible photodetectors based on 1D nanostructures from the past ten years, including flexible ultraviolet, visible, and infrared photodetectors. High‐performance organic‐inorganic hybrid photodetectors, as well as devices with 1D nanowire (NW) arrays, are also reviewed. Finally, new concepts of flexible photodetectors including piezophototronic, stretchable and self‐powered photodetectors are examined to showcase the future research in this exciting field. PMID:27774404

  19. Simulation of a Wall-Bounded Flow using a Hybrid LES/RAS Approach with Turbulence Recycling

    NASA Technical Reports Server (NTRS)

    Quinlan, Jesse R.; Mcdaniel, James; Baurle, Robert A.

    2012-01-01

    Simulations of a supersonic recessed-cavity flow are performed using a hybrid large-eddy/ Reynolds-averaged simulation approach utilizing an inflow turbulence recycling procedure and hybridized inviscid flux scheme. Calorically perfect air enters the three-dimensional domain at a free stream Mach number of 2.92. Simulations are performed to assess grid sensitivity of the solution, efficacy of the turbulence recycling, and effect of the shock sensor used with the hybridized inviscid flux scheme. Analysis of the turbulent boundary layer upstream of the rearward-facing step for each case indicates excellent agreement with theoretical predictions. Mean velocity and pressure results are compared to Reynolds-averaged simulations and experimental data for each case, and these comparisons indicate good agreement on the finest grid. Simulations are repeated on a coarsened grid, and results indicate strong grid density sensitivity. The effect of turbulence recycling on the solution is illustrated by performing coarse grid simulations with and without inflow turbulence recycling. Two shock sensors, one of Ducros and one of Larsson, are assessed for use with the hybridized inviscid flux reconstruction scheme.

  20. A hybrid brain computer interface to control the direction and speed of a simulated or real wheelchair.

    PubMed

    Long, Jinyi; Li, Yuanqing; Wang, Hongtao; Yu, Tianyou; Pan, Jiahui; Li, Feng

    2012-09-01

    Brain-computer interfaces (BCIs) are used to translate brain activity signals into control signals for external devices. Currently, it is difficult for BCI systems to provide the multiple independent control signals necessary for the multi-degree continuous control of a wheelchair. In this paper, we address this challenge by introducing a hybrid BCI that uses the motor imagery-based mu rhythm and the P300 potential to control a brain-actuated simulated or real wheelchair. The objective of the hybrid BCI is to provide a greater number of commands with increased accuracy to the BCI user. Our paradigm allows the user to control the direction (left or right turn) of the simulated or real wheelchair using left- or right-hand imagery. Furthermore, a hybrid manner can be used to control speed. To decelerate, the user imagines foot movement while ignoring the flashing buttons on the graphical user interface (GUI). If the user wishes to accelerate, then he/she pays attention to a specific flashing button without performing any motor imagery. Two experiments were conducted to assess the BCI control; both a simulated wheelchair in a virtual environment and a real wheelchair were tested. Subjects steered both the simulated and real wheelchairs effectively by controlling the direction and speed with our hybrid BCI system. Data analysis validated the use of our hybrid BCI system to control the direction and speed of a wheelchair.

  1. Constant-pH Hybrid Nonequilibrium Molecular Dynamics–Monte Carlo Simulation Method

    PubMed Central

    2016-01-01

    A computational method is developed to carry out explicit solvent simulations of complex molecular systems under conditions of constant pH. In constant-pH simulations, preidentified ionizable sites are allowed to spontaneously protonate and deprotonate as a function of time in response to the environment and the imposed pH. The method, based on a hybrid scheme originally proposed by H. A. Stern (J. Chem. Phys.2007, 126, 164112), consists of carrying out short nonequilibrium molecular dynamics (neMD) switching trajectories to generate physically plausible configurations with changed protonation states that are subsequently accepted or rejected according to a Metropolis Monte Carlo (MC) criterion. To ensure microscopic detailed balance arising from such nonequilibrium switches, the atomic momenta are altered according to the symmetric two-ends momentum reversal prescription. To achieve higher efficiency, the original neMD–MC scheme is separated into two steps, reducing the need for generating a large number of unproductive and costly nonequilibrium trajectories. In the first step, the protonation state of a site is randomly attributed via a Metropolis MC process on the basis of an intrinsic pKa; an attempted nonequilibrium switch is generated only if this change in protonation state is accepted. This hybrid two-step inherent pKa neMD–MC simulation method is tested with single amino acids in solution (Asp, Glu, and His) and then applied to turkey ovomucoid third domain and hen egg-white lysozyme. Because of the simple linear increase in the computational cost relative to the number of titratable sites, the present method is naturally able to treat extremely large systems. PMID:26300709

  2. Constant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation Method.

    PubMed

    Chen, Yunjie; Roux, Benoît

    2015-08-11

    A computational method is developed to carry out explicit solvent simulations of complex molecular systems under conditions of constant pH. In constant-pH simulations, preidentified ionizable sites are allowed to spontaneously protonate and deprotonate as a function of time in response to the environment and the imposed pH. The method, based on a hybrid scheme originally proposed by H. A. Stern (J. Chem. Phys. 2007, 126, 164112), consists of carrying out short nonequilibrium molecular dynamics (neMD) switching trajectories to generate physically plausible configurations with changed protonation states that are subsequently accepted or rejected according to a Metropolis Monte Carlo (MC) criterion. To ensure microscopic detailed balance arising from such nonequilibrium switches, the atomic momenta are altered according to the symmetric two-ends momentum reversal prescription. To achieve higher efficiency, the original neMD-MC scheme is separated into two steps, reducing the need for generating a large number of unproductive and costly nonequilibrium trajectories. In the first step, the protonation state of a site is randomly attributed via a Metropolis MC process on the basis of an intrinsic pKa; an attempted nonequilibrium switch is generated only if this change in protonation state is accepted. This hybrid two-step inherent pKa neMD-MC simulation method is tested with single amino acids in solution (Asp, Glu, and His) and then applied to turkey ovomucoid third domain and hen egg-white lysozyme. Because of the simple linear increase in the computational cost relative to the number of titratable sites, the present method is naturally able to treat extremely large systems.

  3. Ion heating and energy partition at the heliospheric termination shock: hybrid simulations and analytical model

    SciTech Connect

    Gary, S Peter; Winske, Dan; Wu, Pin; Schwadron, N A; Lee, M

    2009-01-01

    The Los Alamos hybrid simulation code is used to examine heating and the partition of dissipation energy at the perpendicular heliospheric termination shock in the presence of pickup ions. The simulations are one-dimensional in space but three-dimensional in field and velocity components, and are carried out for a range of values of pickup ion relative density. Results from the simulations show that because the solar wind ions are relatively cold upstream, the temperature of these ions is raised by a relatively larger factor than the temperature of the pickup ions. An analytic model for energy partition is developed on the basis of the Rankine-Hugoniot relations and a polytropic energy equation. The polytropic index {gamma} used in the Rankine-Hugoniot relations is varied to improve agreement between the model and the simulations concerning the fraction of downstream heating in the pickup ions as well as the compression ratio at the shock. When the pickup ion density is less than 20%, the polytropic index is about 5/3, whereas for pickup ion densities greater than 20%, the polytropic index tends toward 2.2, suggesting a fundamental change in the character of the shock, as seen in the simulations, when the pickup ion density is large. The model and the simulations both indicate for the upstream parameters chosen for Voyager 2 conditions that the pickup ion density is about 25% and the pickup ions gain the larger share (approximately 90%) of the downstream thermal pressure, consistent with Voyager 2 observations near the shock.

  4. Fluid simulations with atomistic resolution: a hybrid multiscale method with field-wise coupling

    SciTech Connect

    Borg, Matthew K.; Lockerby, Duncan A.; Reese, Jason M.

    2013-12-15

    We present a new hybrid method for simulating dense fluid systems that exhibit multiscale behaviour, in particular, systems in which a Navier–Stokes model may not be valid in parts of the computational domain. We apply molecular dynamics as a local microscopic refinement for correcting the Navier–Stokes constitutive approximation in the bulk of the domain, as well as providing a direct measurement of velocity slip at bounding surfaces. Our hybrid approach differs from existing techniques, such as the heterogeneous multiscale method (HMM), in some fundamental respects. In our method, the individual molecular solvers, which provide information to the macro model, are not coupled with the continuum grid at nodes (i.e. point-wise coupling), instead coupling occurs over distributed heterogeneous fields (here referred to as field-wise coupling). This affords two major advantages. Whereas point-wise coupled HMM is limited to regions of flow that are highly scale-separated in all spatial directions (i.e. where the state of non-equilibrium in the fluid can be adequately described by a single strain tensor and temperature gradient vector), our field-wise coupled HMM has no such limitations and so can be applied to flows with arbitrarily-varying degrees of scale separation (e.g. flow from a large reservoir into a nano-channel). The second major advantage is that the position of molecular elements does not need to be collocated with nodes of the continuum grid, which means that the resolution of the microscopic correction can be adjusted independently of the resolution of the continuum model. This in turn means the computational cost and accuracy of the molecular correction can be independently controlled and optimised. The macroscopic constraints on the individual molecular solvers are artificial body-force distributions, used in conjunction with standard periodicity. We test our hybrid method on the Poiseuille flow problem for both Newtonian (Lennard-Jones) and non

  5. Simulations of hybrid system varying solar radiation and microturbine response time

    NASA Astrophysics Data System (ADS)

    Fernández Ribaya, Yolanda; Álvarez, Eduardo; Paredes Sánchez, José Pablo; Xiberta Bernat, Jorge

    2015-07-01

    Hybrid power systems, such as combinations of renewable power sources with intermittent power production and non-renewable power sources, theoretically increase the reliability and thus integration of renewable sources in the electrical system. However, a recent increase in the number of hybrid installations has sparked interest in the effects of their connection to the grid, especially in remote areas. This paper analyses a photovoltaic-gas microturbine hybrid system dimensioned to be installed in La Paz (Mexico).The research presented in this paper studies and quantifies the effects on the total electric power produced, varying both the solar radiation and the gas microturbine response time. The gas microturbine and the photovoltaic panels are modelled using Matlab/Simulink software, obtaining a platform where different tests to simulate real conditions have been executed. They consist of diverse ramps of irradiance that replicate solar radiation variations, and different microturbine response times reproduced by the time constants of a first order transfer function that models the microturbine dynamic response. The results obtained show that when radiation varies quickly it does not produce significant differences in the power guarantee or the microturbine gas consumption, to any microturbine response time. However, these two parameters are highly variable with smooth radiance variations. The maximum total power variation decreases greatly as the radiation variation gets lower. In addition, by decreasing the microturbine response time, it is possible to appreciably increase the power guarantee although the maximum power variation and gas consumption increase. Only in cases of low radiation variation is there no appreciable difference in the maximum power variation obtained by the different turbine response times.

  6. Simulations of hybrid system varying solar radiation and microturbine response time

    SciTech Connect

    Fernández Ribaya, Yolanda Álvarez, Eduardo; Paredes Sánchez, José Pablo; Xiberta Bernat, Jorge

    2015-07-15

    Hybrid power systems, such as combinations of renewable power sources with intermittent power production and non-renewable power sources, theoretically increase the reliability and thus integration of renewable sources in the electrical system. However, a recent increase in the number of hybrid installations has sparked interest in the effects of their connection to the grid, especially in remote areas. This paper analyses a photovoltaic-gas microturbine hybrid system dimensioned to be installed in La Paz (Mexico).The research presented in this paper studies and quantifies the effects on the total electric power produced, varying both the solar radiation and the gas microturbine response time. The gas microturbine and the photovoltaic panels are modelled using Matlab/Simulink software, obtaining a platform where different tests to simulate real conditions have been executed. They consist of diverse ramps of irradiance that replicate solar radiation variations, and different microturbine response times reproduced by the time constants of a first order transfer function that models the microturbine dynamic response. The results obtained show that when radiation varies quickly it does not produce significant differences in the power guarantee or the microturbine gas consumption, to any microturbine response time. However, these two parameters are highly variable with smooth radiance variations. The maximum total power variation decreases greatly as the radiation variation gets lower. In addition, by decreasing the microturbine response time, it is possible to appreciably increase the power guarantee although the maximum power variation and gas consumption increase. Only in cases of low radiation variation is there no appreciable difference in the maximum power variation obtained by the different turbine response times.

  7. Multi-phase hybrid simulation of energetic particle driven magnetohydrodynamic instabilities in tokamak plasmas

    NASA Astrophysics Data System (ADS)

    Todo, Y.

    2016-11-01

    Magnetohydrodynamic (MHD) instabilities driven by energetic particles in tokamak plasmas and the energetic particle distribution formed with the instabilities, neutral beam injection, and collisions are investigated with hybrid simulations for energetic particles and an MHD fluid. The multi-phase simulation, which is a combination of classical simulation and hybrid simulation, is applied to examine the distribution formation process in the collisional slowing-down time scale of energetic ions for various beam deposition power ({P}{NBI}) and slowing-down time ({τ }{{s}}). The physical parameters other than {P}{NBI} and {τ }{{s}} are similar to those of a Tokamak Fusion Test Reactor (TFTR) experiment (Wong et al 1991 Phys. Rev. Lett. 66 1874). For {P}{NBI} = 10 MW and {τ }{{s}} = 100 ms, which is similar to the TFTR experiment, the bursts of toroidal Alfvén eigenmodes take place with a time interval 2 ms, which is close to that observed in the experiment. The maximum radial velocity amplitude (v r) of the dominant TAE at the bursts in the simulation is {v}{{r}}/{v}{{A}}∼ 3× {10}-3 where v A is the Alfvén velocity at the plasma center. For {P}{NBI} = 5 MW and {τ }{{s}} = 20 ms, the amplitude of the dominant TAE is kept at a constant level {v}{{r}}/{v}{{A}}∼ 4× {10}-4. The intermittency of TAE rises with increasing {P}{NBI} and increasing {τ }{{s}} (= decreasing collision frequency). With increasing volume-averaged classical energetic ion pressure, which is well proportional to {P}{NBI}{τ }{{s}}, the energetic ion confinement degrades monotonically due to the transport by the instabilities. The volume-averaged energetic ion pressure depends only on the volume-averaged classical energetic ion pressure, not independently on {P}{NBI} or {τ }{{s}}. The energetic ion pressure profile resiliency, where the increase in energetic ion pressure profile is saturated, is found for the cases with the highest {P}{NBI}{τ }{{s}} where the TAE bursts take place.

  8. Hardware-Based Simulation of a Fuel Cell Turbine Hybrid Response to Imposed Fuel Cell Load Transients

    SciTech Connect

    Smith, T.P.; Tucker, D.A.; Haynes, C.L.; Liese, E.A.; Wepfer, W.J.

    2006-11-01

    Electrical load transients imposed on the cell stack of a solid oxide fuel cell/gas turbine hybrid power system are studied using the Hybrid Performance (HyPer) project. The hardware simulation facility is located at the U.S. Department of Energy, National Energy Technology Laboratory (NETL). A computational fuel cell model capable of operating in real time is integrated with operating gas turbine hardware. The thermal output of a modeled 350 kW solid oxide fuel cell stack is replicated in the facility by a natural gas fired burner in a direct fired hybrid configuration. Pressure vessels are used to represent a fuel cell stack's cathode flow and post combustion volume and flow impedance. This hardware is used to simulate the fuel cell stack and is incorporated with a modified turbine, compressor, and 120 kW generator on a single shaft. For this study, a simulation was started with a simulated current demand of 307 A on the fuel cell at approximately 0.75 V and an actual 45 kW electrical load on the gas turbine. An open loop response, allowing the turbine rotational speed to respond to thermal transients, was successfully evaluated for a 5% current reduction on the fuel cell followed by a 5% current increase. The impact of the fuel cell load change on system process variables is presented. The test results demonstrate the capabilities of the hardware-in-the-loop simulation approach in evaluating hybrid fuel cell turbine dynamics and performance.

  9. Hybrid LES/RANS Simulation of Transverse Sonic Injection into a Mach 2 Flow

    NASA Technical Reports Server (NTRS)

    Boles, John A.; Edwards, Jack R.; Baurle, Robert A.

    2008-01-01

    A computational study of transverse sonic injection of air and helium into a Mach 1.98 cross-flow is presented. A hybrid large-eddy simulation / Reynolds-averaged Navier-Stokes (LES/RANS) turbulence model is used, with the two-equation Menter baseline (Menter-BSL) closure for the RANS part of the flow and a Smagorinsky-type model for the LES part of the flow. A time-dependent blending function, dependent on modeled turbulence variables, is used to shift the closure from RANS to LES. Turbulent structures are initiated and sustained through the use of a recycling / rescaling technique. Two higher-order discretizations, the Piecewise Parabolic Method (PPM) of Colella and Woodward, and the SONIC-A ENO scheme of Suresh and Huyhn are used in the study. The results using the hybrid model show reasonably good agreement with time-averaged Mie scattering data and with experimental surface pressure distributions, even though the penetration of the jet into the cross-flow is slightly over-predicted. The LES/RANS results are used to examine the validity of commonly-used assumptions of constant Schmidt and Prandtl numbers in the intense mixing zone downstream of the injection location.

  10. A general hybrid radiation transport scheme for star formation simulations on an adaptive grid

    SciTech Connect

    Klassen, Mikhail; Pudritz, Ralph E.; Kuiper, Rolf; Peters, Thomas; Banerjee, Robi; Buntemeyer, Lars

    2014-12-10

    Radiation feedback plays a crucial role in the process of star formation. In order to simulate the thermodynamic evolution of disks, filaments, and the molecular gas surrounding clusters of young stars, we require an efficient and accurate method for solving the radiation transfer problem. We describe the implementation of a hybrid radiation transport scheme in the adaptive grid-based FLASH general magnetohydrodyanmics code. The hybrid scheme splits the radiative transport problem into a raytracing step and a diffusion step. The raytracer captures the first absorption event, as stars irradiate their environments, while the evolution of the diffuse component of the radiation field is handled by a flux-limited diffusion solver. We demonstrate the accuracy of our method through a variety of benchmark tests including the irradiation of a static disk, subcritical and supercritical radiative shocks, and thermal energy equilibration. We also demonstrate the capability of our method for casting shadows and calculating gas and dust temperatures in the presence of multiple stellar sources. Our method enables radiation-hydrodynamic studies of young stellar objects, protostellar disks, and clustered star formation in magnetized, filamentary environments.

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

    NASA Technical Reports Server (NTRS)

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

    2010-01-01

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

  12. A General Hybrid Radiation Transport Scheme for Star Formation Simulations on an Adaptive Grid

    NASA Astrophysics Data System (ADS)

    Klassen, Mikhail; Kuiper, Rolf; Pudritz, Ralph E.; Peters, Thomas; Banerjee, Robi; Buntemeyer, Lars

    2014-12-01

    Radiation feedback plays a crucial role in the process of star formation. In order to simulate the thermodynamic evolution of disks, filaments, and the molecular gas surrounding clusters of young stars, we require an efficient and accurate method for solving the radiation transfer problem. We describe the implementation of a hybrid radiation transport scheme in the adaptive grid-based FLASH general magnetohydrodyanmics code. The hybrid scheme splits the radiative transport problem into a raytracing step and a diffusion step. The raytracer captures the first absorption event, as stars irradiate their environments, while the evolution of the diffuse component of the radiation field is handled by a flux-limited diffusion solver. We demonstrate the accuracy of our method through a variety of benchmark tests including the irradiation of a static disk, subcritical and supercritical radiative shocks, and thermal energy equilibration. We also demonstrate the capability of our method for casting shadows and calculating gas and dust temperatures in the presence of multiple stellar sources. Our method enables radiation-hydrodynamic studies of young stellar objects, protostellar disks, and clustered star formation in magnetized, filamentary environments.

  13. High-order Hybridized Discontinuous Galerkin methods for Large-Eddy Simulation

    NASA Astrophysics Data System (ADS)

    Fernandez, Pablo; Nguyen, Ngoc-Cuong; Peraire, Jaime

    2016-11-01

    With the increase in computing power, Large-Eddy Simulation emerges as a promising technique to improve both knowledge of complex flow physics and reliability of flow predictions. Most LES works, however, are limited to simple geometries and low Reynolds numbers due to high computational cost. While most existing LES codes are based on 2nd-order finite volume schemes, the efficient and accurate prediction of complex turbulent flows may require a paradigm shift in computational approach. This drives a growing interest in the development of Discontinuous Galerkin (DG) methods for LES. DG methods allow for high-order, conservative implementations on complex geometries, and offer opportunities for improved sub-grid scale modeling. Also, high-order DG methods are better-suited to exploit modern HPC systems. In the spirit of making them more competitive, researchers have recently developed the hybridized DG methods that result in reduced computational cost and memory footprint. In this talk we present an overview of high-order hybridized DG methods for LES. Numerical accuracy, computational efficiency, and SGS modeling issues are discussed. Numerical results up to Re=460k show rapid grid convergence and excellent agreement with experimental data at moderate computational cost.

  14. Titan's Interaction With the Supersonic Solar Wind During T96: A Hybrid Simulation Study

    NASA Astrophysics Data System (ADS)

    Simon, S.; Feyerabend, M.; Neubauer, F. M.; Motschmann, U. M.; Bertucci, C.; Edberg, N. J. T.; Hospodarsky, G. B.; Kurth, W. S.

    2015-12-01

    We apply a hybrid simulation code (kinetic ions, fluid electrons) to study the structure of Titan's plasma environment during the T96 flyby on 01 December 2013. The T96 encounter constitutes the only event of the Cassini era during which Titan was exposed to the supersonic solar wind upstream of Saturn's bow shock. Cassini plasma and magnetic field observations revealed a Venus/Mars-like plasma interaction, including the formation of a bow shock and a magnetic barrier upstream of Titan. However, it has also been suggested that the ambient solar wind conditions were not stationary at the time of the T96 encounter: around closest approach Cassini probably passed through a region of fossilized magnetic fields, arising from Titan's interaction with a previously encountered, high-pressure solar wind regime. To substantiate this hypothesis, we carry out simulation runs for different ram pressures of the incident solar wind. The model reveals the interaction region to be dominated by kinetic effects, such as a splitting of the bow shock due to large ion gyroradii (shocklets). The simulation results are compared against Cassini magnetic field data from T96.

  15. Full wave simulation of lower hybrid waves in Maxwellian plasma based on the finite element method

    SciTech Connect

    Meneghini, O.; Shiraiwa, S.; Parker, R.

    2009-09-15

    A full wave simulation of the lower-hybrid (LH) wave based on the finite element method is presented. For the LH wave, the most important terms of the dielectric tensor are the cold plasma contribution and the electron Landau damping (ELD) term, which depends only on the component of the wave vector parallel to the background magnetic field. The nonlocal hot plasma ELD effect was expressed as a convolution integral along the magnetic field lines and the resultant integro-differential Helmholtz equation was solved iteratively. The LH wave propagation in a Maxwellian tokamak plasma based on the Alcator C experiment was simulated for electron temperatures in the range of 2.5-10 keV. Comparison with ray tracing simulations showed good agreement when the single pass damping is strong. The advantages of the new approach include a significant reduction of computational requirements compared to full wave spectral methods and seamless treatment of the core, the scrape off layer and the launcher regions.

  16. Hybrid simulations of plasma transport by Kelvin-Helmholtz instability at the magnetopause: magnetic shear

    SciTech Connect

    Cowee, Misa M; Winske, Dan; Gary, S Peter

    2009-01-01

    Two-dimensional hybrid (kinetic ions, massless fluid electrons) simulations of the Kelvin Helmholtz Instability (KHI) for a magnetopause configuration with a magnetic shear across the boundary are carried out to examine how the transport of magnetosheath plasma into the magnetosphere is affected by the shear field. Low magnetic shear conditions where the magnetosheath magnetic field is within 30{sup o} of northward is included in the simulations because KHI is thought to be important for plasma transport only for northward or near-northward interplanetary magnetic field orientations. The simulations show that coherent vortices can grow for these near-northward angles, and that they are sometimes more coherent than for pure northward conditions because the turbulence which breaks-down these vortices is reduced when there are magnetic tension forces. With increasing magnetic shear angle, the growth rate is reduced, and the vortices do not grow to as large of size which reduces the plasma transport. By tracking the individual particle motions diffusion coefficients can be obtained for the system, where the diffusion is not classical in nature but instead has a time dependence resulting from both the increasingly large-scale vortex motion and the small-scale turbulence generated in the break-down of the instabilities. Results indicate that diffusion on the order of 10{sup 9} m{sup 2}/s could possibly be generated by KHI on the flanks of the magnetosphere.

  17. Assessment of a Hybrid Continuous/Discontinuous Galerkin Finite Element Code for Geothermal Reservoir Simulations

    NASA Astrophysics Data System (ADS)

    Xia, Yidong; Podgorney, Robert; Huang, Hai

    2017-03-01

    FALCON (Fracturing And Liquid CONvection) is a hybrid continuous/discontinuous Galerkin finite element geothermal reservoir simulation code based on the MOOSE (Multiphysics Object-Oriented Simulation Environment) framework being developed and used for multiphysics applications. In the present work, a suite of verification and validation (V&V) test problems for FALCON was defined to meet the design requirements, and solved to the interests of enhanced geothermal system modeling and simulation. The intent for this test problem suite is to provide baseline comparison data that demonstrates the performance of FALCON solution methods. The test problems vary in complexity from a single mechanical or thermal process, to coupled thermo-hydro-mechanical processes in geological porous medium. Numerical results obtained by FALCON agreed well with either the available analytical solutions or experimental data, indicating the verified and validated implementation of these capabilities in FALCON. Whenever possible, some form of solution verification has been attempted to identify sensitivities in the solution methods, and suggest best practices when using the FALCON code.

  18. A hybrid Boundary Element Unstructured Transmission-line (BEUT) method for accurate 2D electromagnetic simulation

    NASA Astrophysics Data System (ADS)

    Simmons, Daniel; Cools, Kristof; Sewell, Phillip

    2016-11-01

    Time domain electromagnetic simulation tools have the ability to model transient, wide-band applications, and non-linear problems. The Boundary Element Method (BEM) and the Transmission Line Modeling (TLM) method are both well established numerical techniques for simulating time-varying electromagnetic fields. The former surface based method can accurately describe outwardly radiating fields from piecewise uniform objects and efficiently deals with large domains filled with homogeneous media. The latter volume based method can describe inhomogeneous and non-linear media and has been proven to be unconditionally stable. Furthermore, the Unstructured TLM (UTLM) enables modelling of geometrically complex objects by using triangular meshes which removes staircasing and unnecessary extensions of the simulation domain. The hybridization of BEM and UTLM which is described in this paper is named the Boundary Element Unstructured Transmission-line (BEUT) method. It incorporates the advantages of both methods. The theory and derivation of the 2D BEUT method is described in this paper, along with any relevant implementation details. The method is corroborated by studying its correctness and efficiency compared to the traditional UTLM method when applied to complex problems such as the transmission through a system of Luneburg lenses and the modelling of antenna radomes for use in wireless communications.

  19. Spontaneous Hot Flow Anomalies at Quasi-Parallel Shocks: 2. Hybrid Simulations

    NASA Technical Reports Server (NTRS)

    Omidi, N.; Zhang, H.; Sibeck, D.; Turner, D.

    2013-01-01

    Motivated by recent THEMIS observations, this paper uses 2.5-D electromagnetic hybrid simulations to investigate the formation of Spontaneous Hot Flow Anomalies (SHFA) upstream of quasi-parallel bow shocks during steady solar wind conditions and in the absence of discontinuities. The results show the formation of a large number of structures along and upstream of the quasi-parallel bow shock. Their outer edges exhibit density and magnetic field enhancements, while their cores exhibit drops in density, magnetic field, solar wind velocity and enhancements in ion temperature. Using virtual spacecraft in the simulation, we show that the signatures of these structures in the time series data are very similar to those of SHFAs seen in THEMIS data and conclude that they correspond to SHFAs. Examination of the simulation data shows that SHFAs form as the result of foreshock cavitons interacting with the bow shock. Foreshock cavitons in turn form due to the nonlinear evolution of ULF waves generated by the interaction of the solar wind with the backstreaming ions. Because foreshock cavitons are an inherent part of the shock dissipation process, the formation of SHFAs is also an inherent part of the dissipation process leading to a highly non-uniform plasma in the quasi-parallel magnetosheath including large scale density and magnetic field cavities.

  20. Modeling, simulation, and concept design for hybrid-electric medium-size military trucks

    NASA Astrophysics Data System (ADS)

    Rizzoni, Giorgio; Josephson, John R.; Soliman, Ahmed; Hubert, Christopher; Cantemir, Codrin-Gruie; Dembski, Nicholas; Pisu, Pierluigi; Mikesell, David; Serrao, Lorenzo; Russell, James; Carroll, Mark

    2005-05-01

    A large scale design space exploration can provide valuable insight into vehicle design tradeoffs being considered for the U.S. Army"s FMTV (Family of Medium Tactical Vehicles). Through a grant from TACOM (Tank-automotive and Armaments Command), researchers have generated detailed road, surface, and grade conditions representative of the performance criteria of this medium-sized truck and constructed a virtual powertrain simulator for both conventional and hybrid variants. The simulator incorporates the latest technology among vehicle design options, including scalable ultracapacitor and NiMH battery packs as well as a variety of generator and traction motor configurations. An energy management control strategy has also been developed to provide efficiency and performance. A design space exploration for the family of vehicles involves running a large number of simulations with systematically varied vehicle design parameters, where each variant is paced through several different mission profiles and multiple attributes of performance are measured. The resulting designs are filtered to remove dominated designs, exposing the multi-criterial surface of optimality (Pareto optimal designs), and revealing the design tradeoffs as they impact vehicle performance and economy. The results are not yet definitive because ride and drivability measures were not included, and work is not finished on fine-tuning the modeled dynamics of some powertrain components. However, the work so far completed demonstrates the effectiveness of the approach to design space exploration, and the results to date suggest the powertrain configuration best suited to the FMTV mission.

  1. Coarse-grained simulation study of sequence effects on DNA hybridization in a concentrated environment.

    PubMed

    Markegard, Cade B; Fu, Iris W; Reddy, K Anki; Nguyen, Hung D

    2015-02-05

    A novel coarse-grained model is developed to elucidate thermodynamics and kinetic mechanisms of DNA self-assembly. It accounts for sequence and solvent conditions to capture key experimental results such as sequence-dependent thermal property and salt-dependent persistence length of ssDNA and dsDNA. Moreover, constant-temperature simulations on two single strands of a homogeneous sequence show two main mechanisms of hybridization: a slow slithering mechanism and a one-order faster zippering mechanism. Furthermore, large-scale simulations at a high DNA strand concentration demonstrate that DNA self-assembly is a robust and enthalpically driven process in which the formation of double helices is deciphered to occur via multiple self-assembly pathways including the strand displacement mechanism. However, sequence plays an important role in shifting the majority of one pathway over the others and controlling size distribution of self-assembled aggregates. This study yields a complex picture on the role of sequence on programmable self-assembly and demonstrates a promising simulation tool that is suitable for studies in DNA nanotechnology.

  2. Simulation of flow in the microcirculation using a hybrid Lattice-Boltzman and Finite Element algorithm

    NASA Astrophysics Data System (ADS)

    Gonzalez-Mancera, Andres; Gonzalez Cardenas, Diego

    2014-11-01

    Flow in the microcirculation is highly dependent on the mechanical properties of the cells suspended in the plasma. Red blood cells have to deform in order to pass through the smaller sections in the microcirculation. Certain deceases change the mechanical properties of red blood cells affecting its ability to deform and the rheological behaviour of blood. We developed a hybrid algorithm based on the Lattice-Boltzmann and Finite Element methods to simulate blood flow in small capillaries. Plasma was modeled as a Newtonian fluid and the red blood cells' membrane as a hyperelastic solid. The fluid-structure interaction was handled using the immersed boundary method. We simulated the flow of plasma with suspended red blood cells through cylindrical capillaries and measured the pressure drop as a function of the membrane's rigidity. We also simulated the flow through capillaries with a restriction and identify critical properties for which the suspended particles are unable to flow. The algorithm output was verified by reproducing certain common features of flow int he microcirculation such as the Fahraeus-Lindqvist effect.

  3. Hybrid Semi-numerical Simulation Scheme to Predict Transducer Outputs of Acoustic Microscopes.

    PubMed

    Nierla, Michael; Rupitsch, Stefan

    2015-12-18

    We present a semi-numerical simulation method called SIRFEM, which enables the efficient prediction of high frequency transducer outputs. In particular, this is important for acoustic microscopy where the specimen under investigation is immersed in a coupling fluid. Conventional Finite Element (FE) simulations for such applications would consume too much computational power due to the required spatial and temporal discretization, especially for the coupling fluid between ultrasonic transducer and specimen. However, FE simulations are in most cases essential to consider the mode conversion at and inside the solid specimen as well as the wave propagation in its interior. SIRFEM reduces the computational effort of pure FE simulations by treating only the solid specimen and a small part of the fluid layer with FE. The propagation in the coupling fluid from transducer to specimen and back is processed by the so-called spatial impulse response (SIR). Through this hybrid approach, the number of elements as well as the number of time steps for the FE simulation can be reduced significantly, as it is presented for an axis-symmetric setup. Three B-mode images of a plane 2-D setup - computed at a transducer center frequency of 20 MHz - show that SIRFEM is, furthermore, able to predict reflections at inner structures as well as multiple reflections between those structures and the specimen's surface. For the purpose of a pure 2-D setup, the spatial impulse response of a curved-line transducer is derived and compared to the response function of a cylindrically focused aperture of negligible extend in the third spatial dimension.

  4. Hybrid Seminumerical Simulation Scheme to Predict Transducer Outputs of Acoustic Microscopes.

    PubMed

    Nierla, Michael; Rupitsch, Stefan J

    2016-02-01

    We present a seminumerical simulation method called SIRFEM, which enables the efficient prediction of high-frequency transducer outputs. In particular, this is important for acoustic microscopy where the specimen under investigation is immersed in a coupling fluid. Conventional finite-element (FE) simulations for such applications would consume too much computational power due to the required spatial and temporal discretization, especially for the coupling fluid between ultrasonic transducer and specimen. However, FE simulations are in most cases essential to consider the mode conversion at and inside the solid specimen as well as the wave propagation in its interior. SIRFEM reduces the computational effort of pure FE simulations by treating only the solid specimen and a small part of the fluid layer with FE. The propagation in the coupling fluid from transducer to specimen and back is processed by the so-called spatial impulse response (SIR). Through this hybrid approach, the number of elements as well as the number of time steps for the FE simulation can be reduced significantly, as it is presented for an axis-symmetric setup. Three B-mode images of a plane 2-D setup-computed at a transducer center frequency of 20 MHz-show that SIRFEM is, furthermore, able to predict reflections at inner structures as well as multiple reflections between those structures and the specimen's surface. For the purpose of a pure 2-D setup, the SIR of a curved-line transducer is derived and compared to the response function of a cylindrically focused aperture of negligible extend in the third spatial dimension.

  5. Hybrid multiphase CFD simulation for liquid-liquid interfacial area prediction in annular centrifugal contactors

    SciTech Connect

    Wardle, K.E.

    2013-07-01

    Liquid-liquid contacting equipment used in solvent extraction processes has the dual purpose of mixing and separating two immiscible fluids. Consequently, such devices inherently encompass a wide variety of multiphase flow regimes. A hybrid multiphase computational fluid dynamics (CFD) solver which combines the Eulerian multi-fluid method with VOF (volume of fluid) sharp interface capturing has been developed for application to annular centrifugal contactors. This solver has been extended to enable prediction of mean droplet size and liquid-liquid interfacial area through a single moment population balance method. Simulations of liquid-liquid mixing in a simplified geometry and a model annular centrifugal contactor are reported with droplet breakup/coalescence models being calibrated versus available experimental data. Quantitative comparison is made for two different housing vane geometries and it is found that the predicted droplet size is significantly smaller for vane geometries which result in higher annular liquid holdup.

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

    NASA Astrophysics Data System (ADS)

    Lee, Seung-Jae; Lee, Jun-Hyeok; Suh, Jung-Chun

    2015-11-01

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

  7. Hybrid simulations of a parallel collisionless shock in the large plasma device

    NASA Astrophysics Data System (ADS)

    Weidl, Martin S.; Winske, Dan; Jenko, Frank; Niemann, Chris

    2016-12-01

    We present two-dimensional hybrid kinetic/magnetohydrodynamic simulations of planned laser-ablation experiments in the Large Plasma Device. Our results, based on parameters that have been validated in previous experiments, show that a parallel collisionless shock can begin forming within the available space. Carbon-debris ions that stream along the magnetic-field direction with a blow-off speed of four times the Alfvén velocity excite strong magnetic fluctuations, eventually transferring part of their kinetic energy to the surrounding hydrogen ions. This acceleration and compression of the background plasma creates a shock front, which satisfies the Rankine-Hugoniot conditions and can therefore propagate on its own. Furthermore, we analyze the upstream turbulence and show that it is dominated by the right-hand resonant instability.

  8. Hybrid models for the simulation of microstructural evolution influenced by coupled, multiple physical processes.

    SciTech Connect

    Tikare, Veena; Hernandez-Rivera, Efrain; Madison, Jonathan D.; Holm, Elizabeth Ann; Patterson, Burton R.; Homer, Eric R.

    2013-09-01

    Most materials microstructural evolution processes progress with multiple processes occurring simultaneously. In this work, we have concentrated on the processes that are active in nuclear materials, in particular, nuclear fuels. These processes are coarsening, nucleation, differential diffusion, phase transformation, radiation-induced defect formation and swelling, often with temperature gradients present. All these couple and contribute to evolution that is unique to nuclear fuels and materials. Hybrid model that combines elements from the Potts Monte Carlo, phase-field models and others have been developed to address these multiple physical processes. These models are described and applied to several processes in this report. An important feature of the models developed are that they are coded as applications within SPPARKS, a Sandiadeveloped framework for simulation at the mesoscale of microstructural evolution processes by kinetic Monte Carlo methods. This makes these codes readily accessible and adaptable for future applications.

  9. Numerical simulation of droplet shapes in laser-MIG hybrid welding

    NASA Astrophysics Data System (ADS)

    Lei, Zhenglong; Ni, Longchang; Li, Bingwei; Zhang, Kezhao

    2017-02-01

    A three-dimensional finite element model based on minimum energy principle is developed to simulate the droplet transfer process in laser-MIG hybrid welding. The energy manifestations of all forces that determine droplet shapes are considered in this model, and the model has been used to predict droplet shapes. Offset of droplet centroid and critical additional axial acceleration are adopted to characterize the stability of droplet transfer. The calculated droplet shapes and offset of droplet centroid agree well with experimental results. It is found that increasing laser power or decreasing welding current would destabilize droplet transfer. Additional mechanical forces contribute to stable droplet transfer, and the positive effects of increased shielding gas flow rate on the stability of welding processes are subsequently verified.

  10. Hybrid electrodynamics and kinetics simulation for electromagnetic wave propagation in weakly ionized hydrogen plasmas.

    PubMed

    Chen, Qiang; Chen, Bin

    2012-10-01

    In this paper, a hybrid electrodynamics and kinetics numerical model based on the finite-difference time-domain method and lattice Boltzmann method is presented for electromagnetic wave propagation in weakly ionized hydrogen plasmas. In this framework, the multicomponent Bhatnagar-Gross-Krook collision model considering both elastic and Coulomb collisions and the multicomponent force model based on the Guo model are introduced, which supply a hyperfine description on the interaction between electromagnetic wave and weakly ionized plasma. Cubic spline interpolation and mean filtering technique are separately introduced to solve the multiscalar problem and enhance the physical quantities, which are polluted by numerical noise. Several simulations have been implemented to validate our model. The numerical results are consistent with a simplified analytical model, which demonstrates that this model can obtain satisfying numerical solutions successfully.

  11. GIS-BASED 1-D DIFFUSIVE WAVE OVERLAND FLOW MODEL

    SciTech Connect

    KALYANAPU, ALFRED; MCPHERSON, TIMOTHY N.; BURIAN, STEVEN J.

    2007-01-17

    This paper presents a GIS-based 1-d distributed overland flow model and summarizes an application to simulate a flood event. The model estimates infiltration using the Green-Ampt approach and routes excess rainfall using the 1-d diffusive wave approximation. The model was designed to use readily available topographic, soils, and land use/land cover data and rainfall predictions from a meteorological model. An assessment of model performance was performed for a small catchment and a large watershed, both in urban environments. Simulated runoff hydrographs were compared to observations for a selected set of validation events. Results confirmed the model provides reasonable predictions in a short period of time.

  12. Structural and Mechanical Properties of Silica and Hybrid Aerogels and Xerogels Studied Using Molecular Dynamics Simulations

    NASA Astrophysics Data System (ADS)

    Rivas Murillo, John Sandro

    The structural and mechanical properties of silica and hybrid aerogels and xerogels are studied using Molecular Dynamics simulations. Hybrid samples are created by adding methyl groups (CH3) to the silica structure. Silica samples are generated expanding a dense silica glass in a simulation box of volume chosen to produce a porous sample of a specified density. The expanded glass is thermally treated using a combination of heating and cooling processes. The heating process increases the kinetic energy of the atoms in the system, which facilitates their movement throughout the system. The cooling process reduces the kinetic energy of the atoms and helps locking them in place forming the desired porous structure. A similar procedure is used to create the hybrid samples, but CH3-SiO2 molecules are randomly inserted in the expanded structure before the thermal treatment of the sample. The structures are characterized estimating the fractal dimension of the samples. It is calculated using its relationship with the decay of the Pair Distribution Function of the samples in the intermediate range of structural arrangement. The fractal dimension of the samples used for this study compares favorably to the values found reported in experimental studies, which validates the preparation processes used here. The mechanical properties of the samples are obtained by modeling a tension test performed by stretching the sample along one direction. The stress vs. strain relationship is estimated for all the samples. The results reproduce trends similar to those reported from physical experiments. The computational models show that the addition of methyl groups reduces the stiffness of the structure allowing it to stretch more easily, and increasing the toughness of the samples. From the stress-strain plots is concluded that as the amount of methyl groups in the structure is increased also does the compliance of the sample, effectively making the nature of the material similar to a

  13. A hybrid model for simulating rogue waves in random seas on a large temporal and spatial scale

    NASA Astrophysics Data System (ADS)

    Wang, Jinghua; Ma, Q. W.; Yan, S.

    2016-05-01

    A hybrid model for simulating rogue waves in random seas on a large temporal and spatial scale is proposed in this paper. It is formed by combining the derived fifth order Enhanced Nonlinear Schrödinger Equation based on Fourier transform, the Enhanced Spectral Boundary Integral (ESBI) method and its simplified version. The numerical techniques and algorithm for coupling three models on time scale are suggested. Using the algorithm, the switch between the three models during the computation is triggered automatically according to wave nonlinearities. Numerical tests are carried out and the results indicate that this hybrid model could simulate rogue waves both accurately and efficiently. In some cases discussed, the hybrid model is more than 10 times faster than just using the ESBI method, and it is also much faster than other methods reported in the literature.

  14. Modeling, control, and simulation of grid connected intelligent hybrid battery/photovoltaic system using new hybrid fuzzy-neural method.

    PubMed

    Rezvani, Alireza; Khalili, Abbas; Mazareie, Alireza; Gandomkar, Majid

    2016-07-01

    Nowadays, photovoltaic (PV) generation is growing increasingly fast as a renewable energy source. Nevertheless, the drawback of the PV system is its dependence on weather conditions. Therefore, battery energy storage (BES) can be considered to assist for a stable and reliable output from PV generation system for loads and improve the dynamic performance of the whole generation system in grid connected mode. In this paper, a novel topology of intelligent hybrid generation systems with PV and BES in a DC-coupled structure is presented. Each photovoltaic cell has a specific point named maximum power point on its operational curve (i.e. current-voltage or power-voltage curve) in which it can generate maximum power. Irradiance and temperature changes affect these operational curves. Therefore, the nonlinear characteristic of maximum power point to environment has caused to development of different maximum power point tracking techniques. In order to capture the maximum power point (MPP), a hybrid fuzzy-neural maximum power point tracking (MPPT) method is applied in the PV system. Obtained results represent the effectiveness and superiority of the proposed method, and the average tracking efficiency of the hybrid fuzzy-neural is incremented by approximately two percentage points in comparison to the conventional methods. It has the advantages of robustness, fast response and good performance. A detailed mathematical model and a control approach of a three-phase grid-connected intelligent hybrid system have been proposed using Matlab/Simulink.

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

    NASA Astrophysics Data System (ADS)

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

    2011-10-01

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

  16. Non-Linear Optical Response Simulations for Strongly Corellated Hybrid Carbon Nanotube Systems

    NASA Astrophysics Data System (ADS)

    Meliksetyan, Areg; Bondarev, Igor; Gelin, Maxim

    2013-03-01

    Hybrid carbon nanotube systems, nanotubes containing extrinsic atomic type species (dopants) such as semiconductor quantum dots, extrinsic atoms, or ions, are promising candidates for the development of the new generation of tunable nanooptoelectronic devices - both application oriented, e.g., photovoltaic devices of improved light-harvesting efficiency, and devices for use in fundamental research. Here, we simulate non-linear optical response signals for a pair of spatially separated two-level dipole emitters (to model the dopants above) in the regime where they are coupled strongly to a low-energy surface plasmon resonance of a metallic carbon nanotube. Such a coupling makes them entangled, and we show that the cross-peaks in 2D photon-echo spectra are indicative of the bipartite entanglement being present in the system. We simulate various experimental conditions and formulate practical recommendations for the reliable experimental observation of this unique quantum phenomenon of relevance to the solid-state quantum information science. ARO-W911NF-11-1-0189 (AM), DOE-DE-SC0007117 (IB), DFG-MAP (MG)

  17. Compact hybrid solar simulator with the spectral match beyond class A

    NASA Astrophysics Data System (ADS)

    Baguckis, Artūras; Novičkovas, Algirdas; Mekys, Algirdas; Tamošiūnas, Vincas

    2016-07-01

    A compact hybrid solar simulator with the spectral match beyond class A is proposed. Six types of high-power light-emitting diodes (LEDs) and tungsten halogen lamps in total were employed to obtain spectral match with <25% deviation from the standardized one in twelve spectral ranges between 400 and 1100 nm. All spectral ranges were twice as narrow than required by IEC 60904-9 Ed.2.0 and ASTM E927-10(2015) standards. Nonuniformity of the irradiance was evaluated and <2% deviation from the average value of the irradiance (corresponding to A class nonuniformity) can be obtained for the area of >3-cm diameter. A theoretical analysis was performed to evaluate possible performance of our simulator in the case of GaInP/GaAs/GaInAsP/GaInAs four-junction tandem solar cells and AM1.5D (ASTM G173-03 standard) spectrum. Lack of ultraviolet radiation in comparison to standard spectrum leads to 6.94% reduction of short-circuit current, which could be remedied with 137% increase of the output from blue LEDs. Excess of infrared radiation from halogen lamps outside ranges specified by standards is expected to lead to ˜0.77% voltage increase.

  18. Assessing the impact of policy changes in the Icelandic cod fishery using a hybrid simulation model.

    PubMed

    Sigurðardóttir, Sigríður; Johansson, Björn; Margeirsson, Sveinn; Viðarsson, Jónas R

    2014-01-01

    Most of the Icelandic cod is caught in bottom trawlers or longliners. These two fishing methods are fundamentally different and have different economic, environmental, and even social effects. In this paper we present a hybrid-simulation framework to assess the impact of changing the ratio between cod quota allocated to vessels with longlines and vessels with bottom trawls. It makes use of conventional bioeconomic models and discrete event modelling and provides a framework for simulating life cycle assessment (LCA) for a cod fishery. The model consists of two submodels, a system dynamics model describing the biological aspect of the fishery and a discrete event model for fishing activities. The model was run multiple times for different quota allocation scenarios and results are presented where different scenarios are presented in the three dimensions of sustainability: environmental, social, and economic. The optimal allocation strategy depends on weighing the three different factors. The results were encouraging first-steps towards a useful modelling method but the study would benefit greatly from better data on fishing activities.

  19. Wave-Particle Interactions Associated with Nongyrotropic Distribution Functions: A Hybrid Simulation Study

    NASA Technical Reports Server (NTRS)

    Convery, P. D.; Schriver, D.; Ashour-Abdalla, M.; Richard, R. L.

    2002-01-01

    Nongyrotropic plasma distribution functions can be formed in regions of space where guiding center motion breaks down as a result of strongly curved and weak ambient magnetic fields. Such are the conditions near the current sheet in the Earth's middle and distant magnetotail, where observations of nongyrotropic ion distributions have been made. Here a systematic parameter study of nongyrotropic proton distributions using electromagnetic hybrid simulations is made. We model the observed nongyrotropic distributions by removing a number of arc length segments from a cold ring distribution and find significant differences with the results of simulations that initially have a gyrotropic ring distribution. Model nongyrotropic distributions with initially small perpendicular thermalization produce growing fluctuations that diffuse the ions into a stable Maxwellian-like distribution within a few proton gyro periods. The growing waves produced by nongyrotropic distributions are similar to the electromagnetic proton cyclotron waves produced by a gyrotropic proton ring distribution in that they propagate parallel to the background magnetic field and occur at frequencies on the order of the proton gyrofrequency, The maximum energy of the fluctuating magnetic field increases as the initial proton distribution is made more nongyrotropic, that is, more highly bunched in perpendicular velocity space. This increase can be as much as twice the energy produced in the gyrotropic case.

  20. Proposal for High-Fidelity Quantum Simulation Using a Hybrid Dressed State.

    PubMed

    Cai, Jianming; Cohen, Itsik; Retzker, Alex; Plenio, Martin B

    2015-10-16

    A fundamental goal of quantum technologies concerns the exploitation of quantum coherent dynamics for the realization of novel quantum applications such as quantum computing, quantum simulation, and quantum metrology. A key challenge on the way towards these goals remains the protection of quantum coherent dynamics from environmental noise. Here, we propose a concept of a hybrid dressed state from a pair of continuously driven systems. It allows sufficiently strong driving fields to suppress the effect of environmental noise while at the same time being insusceptible to both the amplitude and phase noise in the continuous driving fields. This combination of robust features significantly enhances coherence times under realistic conditions and at the same time provides new flexibility in Hamiltonian engineering that otherwise is not achievable. We demonstrate theoretically applications of our scheme for a noise-resistant analog quantum simulation in the well-studied physical systems of nitrogen-vacancy centers in diamond and of trapped ions. The scheme may also be exploited for quantum computation and quantum metrology.

  1. Hybrid particle-in-cell simulations of weakly collisional shock formation

    NASA Astrophysics Data System (ADS)

    Spisak, Jacob; Valenzuela, Julio; Kim, Joohwan; Beg, Farhat

    2016-10-01

    Recently, we studied shock formation by the head on collision of supersonic plasma jets using a wire configuration on the compact current driver GenASIS (200 kA in 150 ns). We used two wire materials: aluminum, where radiative cooling is not significant, and copper, where radiation is important to shock dynamics. In both cases, when the jets collide a conical structure develops in time and moves towards the cathode at a speed of 20km/s. Radiation effects are apparent in the copper case, as the shock is thinner than in the Aluminum case and when it starts moving a prominent bow shock develops. Furthermore, the estimated inter jet ion mean free path is larger than the shock width, indicating a magnetic field may help mediate the shock. To investigate the physics of weakly collisional shock formation, we perform two dimensional simulations of two merging, counter-propagating jets using the initial conditions from the experiment. Electrons are treated as a fluid and ions are treated as kinetic particles using the hybrid particle in cell code LSP. We explore how shock formation is affected by radiative cooling and the presence of an external magnetic field. We also carried out simulations where both ions and electrons were treated as fluids. This work was partially financed by Department of Energy Grant Number DE-SC0014493.

  2. Handling performance control for hybrid 8-wheel-drive vehicle and simulation verification

    NASA Astrophysics Data System (ADS)

    Ni, Jun; Hu, Jibin

    2016-08-01

    In order to improve handling performance of a hybrid 8-Wheel-Drive vehicle, the handling performance control strategy was proposed. For armoured vehicle, besides handling stability in high speed, the minimum steer radius in low speed is also a key tactical and technical index. Based on that, the proposed handling performance control strategy includes 'Handling Stability' and 'Radius Minimization' control modes. In 'Handling Stability' control mode, 'Neutralsteer Radio' is defined to adjust the steering characteristics to satisfy different demand in different speed range. In 'Radius Minimization' control mode, the independent motors are controlled to provide an additional yaw moment to decrease the minimum steer radius. In order to verify the strategy, a simulation platform was built including engine and continuously variable transmission systems, generator and battery systems, independent motors and controllers systems, vehicle dynamic and tyre mechanical systems. The simulation results show that the handling performance of the vehicle can be enhanced significantly, and the minimum steer radius can be decreased by 20% which is significant improvement compared to the common level of main battle armoured vehicle around the world.

  3. Improved Sugar Puckering Profiles for Nicotinamide Ribonucleoside for Hybrid QM/MM Simulations.

    PubMed

    Pshetitsky, Yaron; Eitan, Reuven; Verner, Gilit; Kohen, Amnon; Major, Dan Thomas

    2016-10-11

    The coenzyme nicotinamide adenine dinucleotide (NAD(+)) and its reduced form (NADH) play ubiquitous roles as oxidizing and reducing agents in nature. The binding, and possibly the chemical redox step, of NAD(+)/NADH may be influenced by the cofactor conformational distribution and, in particular, by the ribose puckering of its nicotinamide-ribonucleoside (NR) moiety. In many hybrid quantum mechanics-molecular mechanics (QM/MM) studies of NAD(+)/NADH dependent enzymes, the QM region is treated by semiempirical (SE) methods. Recent work suggests that SE methods do not adequately describe the ring puckering in sugar molecules. In the present work we adopt an efficient and practical strategy to correct for this deficiency for NAD(+)/NADH. We have implemented a cost-effective correction to a SE Hamiltonian by adding a correction potential, which is defined as the difference between an accurate benchmark density functional theory (DFT) potential energy surface (PES) and the SE PES. In practice, this is implemented via a B-spline interpolation scheme for the grid-based potential energy difference surface. We find that the puckering population distributions obtained from free energy QM(SE)/MM simulations are in good agreement with DFT and in fair accord with experimental results. The corrected PES should facilitate a more accurate description of the ribose puckering in the NAD(+)/NADH cofactor in simulations of biological systems.

  4. A hybrid symplectic PIC/spectral scheme for one-dimensional electrostatic simulations

    SciTech Connect

    Doxas, I.; Cary, J.R.

    1996-12-31

    We develop a hybrid PIC/spectral integration scheme based on the explicit symplectic integrator of reference. We find that for low-accuracy short-term integration (5% accuracy over {omega}{sub p}t = 500) the second-order symplectic method is most efficient, outperforming the fourth-order method by 65% and non-symplectic methods such as Runge-Kutta, Bulirsch-Stoer and {open_quote}naive{close_quote} leap-frog by a factor of 3-10. For high-accuracy short-term integration (10{sup -4} over w{sub p}t = 500) the second-order symplectic method is 20% more efficient than both the fourth-order method and Bulirsch-Stoer, and a factor of 8-20 more efficient than Runge-Kutta and {open_quote}naive{close_quote} leap-frog. For long-term integration (w{sub p}t = 10{sup 5}) the second order symplectic method outperforms all non-symplectic methods by a factor of 8-20. We also show that the symplectic method is more robust to roundoff error than all other methods we tested, and that for simulations with a small number of particles per wavelength (usuall in plasma simulations) cubic spline interpolation is more efficient that linear interpolation.

  5. Venus-solar wind interaction in a hybrid plasma simulation model

    NASA Astrophysics Data System (ADS)

    Jarvinen, R.; Kallio, E.; Barabash, S.; Zhang, T. L.; Fedorov, A.; Sillanpää, I.; Janhunen, P.

    2007-08-01

    We present a study of the plasma interaction between Venus and the solar wind. In the study we use a computer simulation model to interpret recerently acquired insitu data by the Venus Express spacecraft. The numerical simulation is based on a 3-dimensional hybrid model, which consists of particle ions, a charge neutralizing massless electron fluid and non-radiative electrodynamics. This arrangement makes it possible to study self-consistently coupled ion kinetics and electromagnetism in a global planetary scale. In the model, the Venusian upper atmosphere and exosphere are modelled as a perfectly conducting ionospheric medium and hydrogen and oxygen photoion production. Given the upstream conditions and the spatial planetary ion distributions the model provides, for example, the escape rates of the atmospheric ion populations and the geometry of the interplanetary magnetic field draped around the planet. Here the model is used to study ion observations from the ASPERA-4 plasma instrument and magnetic field measurements from the MAG magnetometer on Venus Express.

  6. The plasma interaction of Enceladus: 3D hybrid simulations and comparison with Cassini MAG data

    NASA Astrophysics Data System (ADS)

    Kriegel, H.; Simon, S.; Müller, J.; Motschmann, U.; Saur, J.; Glassmeier, K.-H.; Dougherty, M. K.

    2009-12-01

    We study the interaction of Saturn's small, icy moon Enceladus and its plume with the corotating magnetospheric plasma by means of a 3D hybrid simulation model, which treats the ions as individual particles and the electrons as a massless, charge-neutralizing fluid. We analyze systematically how Enceladus' internal conductivity and plasma absorption at the surface as well as charge exchange and pick-up in the plume contribute to the overall structure of the interaction region. Furthermore, we provide a comparison of our simulation results to data obtained by the Cassini magnetometer instrument. The major findings of this study are: (1) the magnetic field diffuses through the solid body of Enceladus almost unaffected, whereas plasma absorption gives rise to a symmetric depletion wake downstream of the moon; (2) due to the small gyroradii of the newly generated plume ions, the pick-up tail possesses a 2D structure; (3) the magnetic field lines drape around the plume, which triggers an Alfvén wing system that dominates the structure of Enceladus' plasma environment. Inside the plume itself, a magnetic cavity is formed; (4) besides the reproduction of the key features of the observed magnetic field signatures, evidence for variability in the locations of the active jets and in the total gas content of the plume are shown.

  7. Simulated human patients and patient-centredness: The uncanny hybridity of nursing education, technology, and learning to care.

    PubMed

    Ireland, Aileen V

    2017-01-01

    Positioned within a hybrid of the human and technology, professional nursing practice has always occupied a space that is more than human. In nursing education, technology is central in providing tools with which practice knowledge is mobilized so that students can safely engage with simulated human patients without causing harm to real people. However, while there is an increased emphasis on deploying these simulated humans as emissaries from person-centred care to demonstrate what it is like to care for real humans, the nature of what is really going on in simulation-what is real and what is simulated-is very rarely discussed and poorly understood. This paper explores how elements of postcolonial critical thought can aid in understanding the challenges of educating nurses to provide person-centred care within a healthcare culture that is increasingly reliant on technology. Because nursing education is itself a hybrid of real and simulated practice, it provides an appropriate case study to explore the philosophical question of technology in healthcare discourse, particularly as it relates to the relationship between the human patient and its uncanny simulated double. Drawing on postcolonial elements such as the uncanny, diaspora, hybridity, and créolité, the hybrid conditions of nursing education are examined in order to open up new possibilities of thinking about how learning to care is entangled with this technological space to assist in shaping professional knowledge of person-centred care. Considering these issues through a postcolonial lens opens up questions about the nature of the difficulty in using simulated human technologies in clinical education, particularly with the paradoxical aim of providing person-centred care within a climate that increasingly characterized as posthuman.

  8. Effect of Backbone Design on Hybridization Thermodynamics of Oligo-nucleic Acids: A Coarse-Grained Molecular Dynamics Simulation Study

    NASA Astrophysics Data System (ADS)

    Ghobadi, Ahmadreza F.; Jayaraman, Arthi

    DNA hybridization is the basis of various bio-nano technologies, such as DNA origami and assembly of DNA-functionalized nanoparticles. A hybridized double stranded (ds) DNA is formed when complementary nucleobases on hybridizing strands exhibit specific and directional hydrogen bonds through canonical Watson-Crick base-pairing interactions. In recent years, the need for cheaper alternatives and significant synthetic advances have driven design of DNA mimics with new backbone chemistries. However, a fundamental understanding of how these backbone modifications in the oligo-nucleic acids impact the hybridization and melting behavior of the duplex is still lacking. In this talk, we present our recent findings on impact of varying backbone chemistry on hybridization of oligo-nucleic acid duplexes. We use coarse-grained molecular dynamics simulations to isolate the effect of strand flexibility, electrostatic interactions and nucleobase spacing on the melting curves for duplexes with various strand sequences and concentrations. Since conjugation of oligo-nucleic acids with polymers serve as building blocks for thermo-responsive polymer networks and gels, we also present the effect of such conjugation on hybridization thermodynamics and polymer conformation.

  9. A hybrid formulation for the numerical simulation of condensed phase explosives

    NASA Astrophysics Data System (ADS)

    Michael, L.; Nikiforakis, N.

    2016-07-01

    In this article we present a new formulation and an associated numerical algorithm, for the simulation of combustion and transition to detonation of condensed-phase commercial- and military-grade explosives, which are confined by (or in general interacting with one or more) compliant inert materials. Examples include confined rate-stick problems and interaction of shock waves with gas cavities or solid particles in explosives. This formulation is based on an augmented Euler approach to account for the mixture of the explosive and its products, and a multi-phase diffuse interface approach to solve for the immiscible interaction between the mixture and the inert materials, so it is in essence a hybrid (augmented Euler and multi-phase) model. As such, it has many of the desirable features of the two approaches and, critically for our applications of interest, it provides the accurate recovery of temperature fields across all components. Moreover, it conveys a lot more physical information than augmented Euler, without the complexity of full multi-phase Baer-Nunziato-type models or the lack of robustness of augmented Euler models in the presence of more than two components. The model can sustain large density differences across material interfaces without the presence of spurious oscillations in velocity and pressure, and it can accommodate realistic equations of state and arbitrary (pressure- or temperature-based) reaction-rate laws. Under certain conditions, we show that the formulation reduces to well-known augmented Euler or multi-phase models, which have been extensively validated and used in practice. The full hybrid model and its reduced forms are validated against problems with exact (or independently-verified numerical) solutions and evaluated for robustness for rate-stick and shock-induced cavity collapse case-studies.

  10. Simulation of ultrasonic inspection of curved composites using a hybrid semi-analytical/numerical code

    NASA Astrophysics Data System (ADS)

    Reverdy, Frédéric; Mahaut, Steve; Dominguez, Nicolas; Dubois, Philippe

    2015-03-01

    Carbon Fiber reinforced composites are increasingly used in structural parts in the aeronautics industry, as they allow to reduce the weight of aircrafts while maintaining high mechanical performances. However, such structures can be complicated to inspect due to their complex geometries and complex composite properties, leading to highly heterogeneous and anisotropic materials. Different potential damages and manufacturing flaws related to these parts are to be detected: porosities, ply waviness, delaminations after impact. Ultrasonic inspection, which is commonly used to test the full volume of composite panels, thus has to cope with both complex wave propagation (within anisotropic parts whose crystallographic orientation varies according to the layers structure) and flaw interaction (local distortion of plies such as ply waviness, small pores, structural noise due to periodicity patterns…). Developing NDT procedures for those parts therefore requires simulation tools to help for understanding those phenomena, and to optimize probes and techniques. Within the CIVA multi-techniques platform, CEA-LIST has developed semi-analytical tools for ultrasonic techniques, which have the advantages of high computational efficiency (fast calculations), but with limited range of application due to some hypothesis (for instance, homogenization approaches which don't allow to take account of structural noise). On the other hand, numerical methods such as finite element (FEM) or finite difference in time domain (FDTD) are more suitable to compute ultrasonic wave propagation and defect scattering in complex materials such as composite but require more computational efforts. Hybrid methods couple semi-analytical solutions and numerical computations in limited spatial domains to handle complex cases with high computation performances. In CIVA we have integrated a hybrid model that combines the semi-analytical methods developed at CEA to FDTD codes developed at Airbus Group

  11. Further validation of artificial neural network-based emissions simulation models for conventional and hybrid electric vehicles.

    PubMed

    Tóth-Nagy, Csaba; Conley, John J; Jarrett, Ronald P; Clark, Nigel N

    2006-07-01

    With the advent of hybrid electric vehicles, computer-based vehicle simulation becomes more useful to the engineer and designer trying to optimize the complex combination of control strategy, power plant, drive train, vehicle, and driving conditions. With the desire to incorporate emissions as a design criterion, researchers at West Virginia University have developed artificial neural network (ANN) models for predicting emissions from heavy-duty vehicles. The ANN models were trained on engine and exhaust emissions data collected from transient dynamometer tests of heavy-duty diesel engines then used to predict emissions based on engine speed and torque data from simulated operation of a tractor truck and hybrid electric bus. Simulated vehicle operation was performed with the ADVISOR software package. Predicted emissions (carbon dioxide [CO2] and oxides of nitrogen [NO(x)]) were then compared with actual emissions data collected from chassis dynamometer tests of similar vehicles. This paper expands on previous research to include different driving cycles for the hybrid electric bus and varying weights of the conventional truck. Results showed that different hybrid control strategies had a significant effect on engine behavior (and, thus, emissions) and may affect emissions during different driving cycles. The ANN models underpredicted emissions of CO2 and NO(x) in the case of a class-8 truck but were more accurate as the truck weight increased.

  12. Simulations of ordering and sequence reconstruction of random DNA clones hybridized with a small number of oligomeric probes

    SciTech Connect

    Labat, I.; Drmanac, R.

    1992-12-01

    The sequencing by hybridization (SBH) method has been developed for assaying millions of 0.5- to 2-kb-tong clones. This opens up an efficient way for defining the order of short clones and creating a physical map at 100-bp resolution. Moreover, complete sequences can be obtained using a modest number (about 3000) of probes if hybridization and gel sequence data from overlapped or similar sequences are used. In light of these possibilities, various heuristic algorithms have been developed and tested in simulation experiments. This approach can influence the interpretation of the intuitively obvious term, ``known sequence.``

  13. HyCFS, a high-resolution shock capturing code for numerical simulation on hybrid computational clusters

    NASA Astrophysics Data System (ADS)

    Shershnev, Anton A.; Kudryavtsev, Alexey N.; Kashkovsky, Alexander V.; Khotyanovsky, Dmitry V.

    2016-10-01

    The present paper describes HyCFS code, developed for numerical simulation of compressible high-speed flows on hybrid CPU/GPU (Central Processing Unit / Graphical Processing Unit) computational clusters on the basis of full unsteady Navier-Stokes equations, using modern shock capturing high-order TVD (Total Variation Diminishing) and WENO (Weighted Essentially Non-Oscillatory) schemes on general curvilinear structured grids. We discuss the specific features of hybrid architecture and details of program implementation and present the results of code verification.

  14. Evaluation of Cathode Air Flow Transients in a SOFC/GT Hybrid System Using Hardware in the Loop Simulation.

    PubMed

    Zhou, Nana; Yang, Chen; Tucker, David

    2015-02-01

    Thermal management in the fuel cell component of a direct fired solid oxide fuel cell gas turbine (SOFC/GT) hybrid power system can be improved by effective management and control of the cathode airflow. The disturbances of the cathode airflow were accomplished by diverting air around the fuel cell system through the manipulation of a hot-air bypass valve in open loop experiments, using a hardware-based simulation facility designed and built by the U.S. Department of Energy, National Energy Technology Laboratory (NETL). The dynamic responses of the fuel cell component and hardware component of the hybrid system were studied in this paper.

  15. Electroweak production of hybrid mesons in a flux-tube simulation of lattice QCD.

    PubMed

    Close, F E; Dudek, J J

    2003-10-03

    We make the first calculation of the electroweak couplings of hybrid mesons to conventional mesons appropriate to photoproduction and to the decays of B or D mesons. E1 amplitudes are found to be large and may contribute in charge exchange gammap-->nH(+) allowing production of (among others) the charged 1(-+) exotic hybrid off a(2) exchange. Axial hybrid meson photoproduction is predicted to be large courtesy of pi exchange, and its strange hybrid counterpart is predicted in B-->psiK(H)(1(+)) with branching ratio B approximately 10(-4). Higher multipoles and some implications for hybrid charmonium are briefly discussed.

  16. Hybrid Reynolds-Averaged/Large-Eddy Simulations of a Co-Axial Supersonic Free-Jet Experiment

    NASA Technical Reports Server (NTRS)

    Baurle, R. A.; Edwards, J. R.

    2009-01-01

    Reynolds-averaged and hybrid Reynolds-averaged/large-eddy simulations have been applied to a supersonic coaxial jet flow experiment. The experiment utilized either helium or argon as the inner jet nozzle fluid, and the outer jet nozzle fluid consisted of laboratory air. The inner and outer nozzles were designed and operated to produce nearly pressure-matched Mach 1.8 flow conditions at the jet exit. The purpose of the computational effort was to assess the state-of-the-art for each modeling approach, and to use the hybrid Reynolds-averaged/large-eddy simulations to gather insight into the deficiencies of the Reynolds-averaged closure models. The Reynolds-averaged simulations displayed a strong sensitivity to choice of turbulent Schmidt number. The baseline value chosen for this parameter resulted in an over-prediction of the mixing layer spreading rate for the helium case, but the opposite trend was noted when argon was used as the injectant. A larger turbulent Schmidt number greatly improved the comparison of the results with measurements for the helium simulations, but variations in the Schmidt number did not improve the argon comparisons. The hybrid simulation results showed the same trends as the baseline Reynolds-averaged predictions. The primary reason conjectured for the discrepancy between the hybrid simulation results and the measurements centered around issues related to the transition from a Reynolds-averaged state to one with resolved turbulent content. Improvements to the inflow conditions are suggested as a remedy to this dilemma. Comparisons between resolved second-order turbulence statistics and their modeled Reynolds-averaged counterparts were also performed.

  17. A hybrid FDTD-Rayleigh integral computational method for the simulation of the ultrasound measurement of proximal femur.

    PubMed

    Cassereau, Didier; Nauleau, Pierre; Bendjoudi, Aniss; Minonzio, Jean-Gabriel; Laugier, Pascal; Bossy, Emmanuel; Grimal, Quentin

    2014-07-01

    The development of novel quantitative ultrasound (QUS) techniques to measure the hip is critically dependent on the possibility to simulate the ultrasound propagation. One specificity of hip QUS is that ultrasounds propagate through a large thickness of soft tissue, which can be modeled by a homogeneous fluid in a first approach. Finite difference time domain (FDTD) algorithms have been widely used to simulate QUS measurements but they are not adapted to simulate ultrasonic propagation over long distances in homogeneous media. In this paper, an hybrid numerical method is presented to simulate hip QUS measurements. A two-dimensional FDTD simulation in the vicinity of the bone is coupled to the semi-analytic calculation of the Rayleigh integral to compute the wave propagation between the probe and the bone. The method is used to simulate a setup dedicated to the measurement of circumferential guided waves in the cortical compartment of the femoral neck. The proposed approach is validated by comparison with a full FDTD simulation and with an experiment on a bone phantom. For a realistic QUS configuration, the computation time is estimated to be sixty times less with the hybrid method than with a full FDTD approach.

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

    DOE PAGES

    Wang, Zhenyu; Lin, Yu; Wang, Xueyi; ...

    2016-07-07

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

  19. 3D electrostatic gyrokinetic electron and fully kinetic ion simulation of lower-hybrid drift instability of Harris current sheet

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  20. Hybrid hierarchical bio-based materials: Development and characterization through experimentation and computational simulations

    NASA Astrophysics Data System (ADS)

    Haq, Mahmoodul

    Environmentally friendly bio-based composites with improved properties can be obtained by harnessing the synergy offered by hybrid constituents such as multiscale (nano- and micro-scale) reinforcement in bio-based resins composed of blends of synthetic and natural resins. Bio-based composites have recently gained much attention due to their low cost, environmental appeal and their potential to compete with synthetic composites. The advantage of multiscale reinforcement is that it offers synergy at various length scales, and when combined with bio-based resins provide stiffness-toughness balance, improved thermal and barrier properties, and increased environmental appeal to the resulting composites. Moreover, these hybrid materials are tailorable in performance and in environmental impact. While the use of different concepts of multiscale reinforcement has been studied for synthetic composites, the study of mukiphase/multiscale reinforcements for developing new types of sustainable materials is limited. The research summarized in this dissertation focused on development of multiscale reinforced bio-based composites and the effort to understand and exploit the synergy of its constituents through experimental characterization and computational simulations. Bio-based composites consisting of petroleum-based resin (unsaturated polyester), natural or bio-resin (epoxidized soybean and linseed oils), natural fibers (industrial hemp), and nanosilicate (nanoclay) inclusions were developed. The work followed the "materials by Mahmoodul Haq design" philosophy by incorporating an integrated experimental and computational approach to strategically explore the design possibilities and limits. Experiments demonstrated that the drawbacks of bio-resin addition, which lowers stiffness, strength and increases permeability, can be counter-balanced through nanoclay reinforcement. Bio-resin addition yields benefits in impact strength and ductility. Conversely, nanoclay enhances stiffness

  1. Lower Hybrid Current Drive Experiments on Alcator C-Mod: Comparison with Theory and Simulation

    NASA Astrophysics Data System (ADS)

    Bonoli, Paul

    2007-11-01

    Recently, lower hybrid current drive (LHCD) experiments have been carried out on Alcator C-Mod using an RF system consisting of 12 klystrons at 4.6 GHz, feeding a 4 x 22 waveguide array. Up to 900 kW of LH power has been coupled in the range1.6 <= n//<= 4), where n// is the parallel refractive index. Driven LH currents have been inferred from magnetic measurements by extrapolating to zero loop voltage, yielding an efficiency of n20ILHR/PLH 0.3 [1]. We have simulated the LH current drive in these discharges using the combined ray tracing / 3D (r, v, v//) Fokker Planck code GENRAY -- CQL3D [2] and found similar current drive efficiencies. Measurements of nonthermal x-ray emission and electron cyclotron emission (ECE) confirm the presence of a significant fast electron population that varies with waveguide phasing and plasma density. Studies are currently underway to investigate the role of fast electron diffusion and full-wave effects such as diffractional broadening in determining the spatial and velocity space structure of the nonthermal electrons. The 3D (r, v, v//) electron distribution function from CQL3D has been used in synthetic diagnostic codes to simulate the measured hard x-ray and ECE emissions. Fast electron diffusion times have been inferred from x-ray data by employing a radial diffusion operator in CQL3D and determining the fast electron diffusivities that are required to reproduce the experimentally observed profiles of hard x-ray emission. Finally, we have been performing full-wave LH field simulations using the massively parallel TORIC --LH solver [3] in order to assess spatial and spectral broadening of the incident wave front that can result from diffraction and wave focusing effects. [1] R. Parker, Bull. Am. Phys. Soc. 51, 20 (2006). [2] R.W. Harvey and M. McCoy, ``The CQL3D Fokker Planck Code,'' Proc. IAEA Tech. Comm. Meeting on Simulation and Modeling of Thermonuclear Plasmas, Montreal, Canada, 1992. [3] J. C. Wright et al., Nucl. Fusion 45

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

    SciTech Connect

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

    2016-06-15

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

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

    SciTech Connect

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

    2016-06-01

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

  4. Hybrid simulations of solenoidal radio-frequency inductively coupled hydrogen discharges at low pressures

    NASA Astrophysics Data System (ADS)

    Yang, Wei; Li, Hong; Gao, Fei; Wang, You-Nian

    2016-12-01

    In this article, we have described a radio-frequency (RF) inductively coupled H2 plasma using a hybrid computational model, incorporating the Maxwell equations and the linear part of the electron Boltzmann equation into global model equations. This report focuses on the effects of RF frequency, gas pressure, and coil current on the spatial profiles of the induced electric field and plasma absorption power density. The plasma parameters, i.e., plasma density, electron temperature, density of negative ion, electronegativity, densities of neutral species, and dissociation degree of H2, as a function of absorption power, are evaluated at different gas pressures. The simulation results show that the utilization efficiency of the RF source characterized by the coupling efficiency of the RF electric field and power to the plasma can be significantly improved at the low RF frequency, gas pressure, and coil current, due to a low plasma density in these cases. The densities of vibrational states of H2 first rapidly increase with increasing absorption power and then tend to saturate. This is because the rapidly increased dissociation degree of H2 with increasing absorption power somewhat suppresses the increase of the vibrational states of H2, thus inhibiting the increase of the H-. The effects of absorption power on the utilization efficiency of the RF source and the production of the vibrational states of H2 should be considered when setting a value of the coil current. To validate the model simulations, the calculated electron density and temperature are compared with experimental measurements, and a reasonable agreement is achieved.

  5. Full-wave Electromagnetic Field Simulations of Lower Hybrid Waves in Tokamaks

    SciTech Connect

    Wright, J.C.; Bonoli, P. T.; Brambilla, M.; D'Azevedo, E.; Berry, L.A.; Batchelor, D.B.; Jaeger, E.F.; Carter, M.D.; Phillips, C.K.; Okuda, H.; Harvey, R.W.; Myra, J.R.; D'Ippolito, D.A.; Smithe, D.N.

    2005-09-26

    The most common method for treating wave propagation in tokamaks in the lower hybrid range of frequencies (LHRF) has been toroidal ray tracing, owing to the short wavelengths (relative to the system size) found in this regime. Although this technique provides an accurate description of 2D and 3D plasma inhomogeneity effects on wave propagation, the approach neglects important effects related to focusing, diffraction, and finite extent of the RF launcher. Also, the method breaks down at plasma cutoffs and caustics. Recent adaptation of full-wave electromagnetic field solvers to massively parallel computers has made it possible to accurately resolve wave phenomena in the LHRF. One such solver, the TORIC code, has been modified to simulate LH waves by implementing boundary conditions appropriate for coupling the fast electromagnetic and the slow electrostatic waves in the LHRF. In this frequency regime the plasma conductivity operator can be formulated in the limits of unmagnetized ions and strongly magnetized electrons, resulting in a relatively simple and explicit form. Simulations have been done for parameters typical of the planned LHRF experiments on Alcator C-Mod, demonstrating fully resolved fast and slow LH wave fields using a Maxwellian non-relativistic plasma dielectric. Significant spectral broadening of the injected wave spectrum and focusing of the wave fields have been found, especially at caustic surfaces. Comparisons with toroidal ray tracing have also been done and differences between the approaches have been found, especially for cases where wave caustics form. The possible role of this diffraction-induced spectral broadening in filling the spectral gap in LH heating and current drive will be discussed.

  6. Modeling and simulation of surfactant-polymer flooding using a new hybrid method

    NASA Astrophysics Data System (ADS)

    Daripa, Prabir; Dutta, Sourav

    2017-04-01

    Chemical enhanced oil recovery by surfactant-polymer (SP) flooding has been studied in two space dimensions. A new global pressure for incompressible, immiscible, multicomponent two-phase porous media flow has been derived in the context of SP flooding. This has been used to formulate a system of flow equations that incorporates the effect of capillary pressure and also the effect of polymer and surfactant on viscosity, interfacial tension and relative permeabilities of the two phases. The coupled system of equations for pressure, water saturation, polymer concentration and surfactant concentration has been solved using a new hybrid method in which the elliptic global pressure equation is solved using a discontinuous finite element method and the transport equations for water saturation and concentrations of the components are solved by a Modified Method Of Characteristics (MMOC) in the multicomponent setting. Numerical simulations have been performed to validate the method, both qualitatively and quantitatively, and to evaluate the relative performance of the various flooding schemes for several different heterogeneous reservoirs.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  8. 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.

  9. Semi-active tuned liquid column damper implementation with real-time hybrid simulations

    NASA Astrophysics Data System (ADS)

    Riascos, Carlos; Marulanda Casas, Johannio; Thomson, Peter

    2016-04-01

    Real-time hybrid simulation (RTHS) is a modern cyber-physical technique used for the experimental evaluation of complex systems, that treats the system components with predictable behavior as a numerical substructure and the components that are difficult to model as an experimental substructure. Therefore it is an attractive method for evaluation of the response of civil structures under earthquake, wind and anthropic loads. In this paper, the response of three-story shear frame controlled by a tuned liquid column damper (TLCD) and subject to base excitation is considered. Both passive and semi-active control strategies were implemented and are compared. While the passive TLCD achieved a reduction of 50% in the acceleration response of the main structure in comparison with the structure without control, the semi-active TLCD achieved a reduction of 70%, and was robust to variations in the dynamic properties of the main structure. In addition, a RTHS was implemented with the main structure modeled as a linear, time-invariant (LTI) system through a state space representation and the TLCD, with both control strategies, was evaluated on a shake table that reproduced the displacement of the virtual structure. Current assessment measures for RTHS were used to quantify the performance with parameters such as generalized amplitude, equivalent time delay between the target and measured displacement of the shake table, and energy error using the measured force, and prove that the RTHS described in this paper is an accurate method for the experimental evaluation of structural control systems.

  10. Terahertz spectra of biotin based on first principle, molecular mechanical, and hybrid simulations.

    PubMed

    Bykhovski, Alexei; Woolard, Dwight

    2013-07-01

    Terahertz (THz) absorption of biotin was simulated using the first principle and the density functional theory (DFT) both in the harmonic approximation and with corrections for the anharmonicity. Anharmonicity corrections were calculated using two different approaches. First, the perturbation theory-based first principle calculations were performed to include third- and fourth-order anharmonicity corrections in atomic displacements to harmonic vibrational states. Second, the atom-centered density matrix propagation molecular dynamics model that provides a good energy conservation was used to calculate the atomic trajectories, velocities, and a dipole moment time history of biotin at low and room temperatures. Predicted low-THz lines agree well with the experimental spectra. The influence of the polyethylene (PE) matrix embedment on the THz spectra of biotin at the nanoscale was studied using the developed hybrid DFT/molecular mechanical approach. While PE is almost transparent at THz frequencies, additional low-THz lines are predicted in the biotin/PE system, which reflects a dynamic interaction between biotin and a surrounding PE cavity.

  11. Empowering interprofessional teams to perform effective handoffs through online hybrid simulation education.

    PubMed

    Daniel, Laura; N-Wilfong, Donamarie

    2014-01-01

    In recent years, the health care field has recognized the importance of handoff communications, as these crucial events may have serious implications for patient safety if not completed properly. To perform these handoffs correctly, patient information and responsibility must be exchanged accurately and thoroughly between health care providers despite any distractions, interruptions, and/or cultural issues that may exist. To overcome any such obstacles, institutions have experimented with various approaches over the years to determine the best method to ensure the highest probability of effective exchanges. This article describes major barriers that exist to efficient handoff communications and proposes an online, hybrid simulation course as a primary solution to many of the interpersonal obstacles. This highly accessible course uses the dynamic approach of teaching handoff communication with pretests/posttests, videos, a PowerPoint presentation, and interactive exercises. This course emphasizes the importance of teamwork and the SBAR standardization method and has been well received by residents, fellows, and employees of a large health system.

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  13. Coupled electric fields in photorefractive driven liquid crystal hybrid cells - theory and numerical simulation

    NASA Astrophysics Data System (ADS)

    Moszczyński, P.; Walczak, A.; Marciniak, P.

    2016-12-01

    In cyclic articles previously published we described and analysed self-organized light fibres inside a liquid crystalline (LC) cell contained photosensitive polymer (PP) layer. Such asymmetric LC cell we call a hybrid LC cell. Light fibre arises along a laser beam path directed in plane of an LC cell. It means that a laser beam is parallel to photosensitive layer. We observed the asymmetric LC cell response on an external driving field polarization. Observation has been done for an AC field first. It is the reason we decided to carry out a detailed research for a DC driving field to obtain an LC cell response step by step. The properly prepared LC cell has been built with an isolating layer and garbage ions deletion. We proved by means of a physical model, as well as a numerical simulation that LC asymmetric response strongly depends on junction barriers between PP and LC layers. New parametric model for a junction barrier on PP/LC boundary has been proposed. Such model is very useful because of lack of proper conductivity and charge carriers of band structure data on LC material.

  14. Theory and hybrid simulations of the radial evolution of the solar wind turbulence

    NASA Astrophysics Data System (ADS)

    Comisel, Horia; Narita, Yasuhito; Motschmann, Uwe

    2016-04-01

    Solar wind turbulence in the inner heliosphere is believed to evolve in the radial direction away from the Sun driven by various nonlinear processes. When a perturbative treatment is applicable, plasma fluctuations evolve along the dispersion relations while the frequencies deviate from the normal-mode frequency by exciting non-normal modes or sideband waves. Direct numerical simulations of magnetized plasma at the scale of ion gyro-radius or smaller using the hybrid code AIKEF show smooth transitions and evolutions into nonlinear stage with sideband wave excitations. The evolution profile of linear and nonlinear modes as well as the intrinsic nature of wave vector anisotropy can be unambiguously classified according to the values of ion plasma beta. By using a mapping based on a one-dimensional solar wind expansion model, the resulting ion kinetic scale turbulence is related to the solar distance from the Sun. We find that the relevant normal modes such as ion cyclotron and Bernstein mode will occur first at radial distance of about 0.2-0.3 AU, i.e., near the Mercury orbit. Furthermore, a radial dependence of the wave-vector anisotropy is obtained. The predominance of the filament structures highlights the strong impact of Alfvénic waves.

  15. The pDynamo Program for Molecular Simulations using Hybrid Quantum Chemical and Molecular Mechanical Potentials.

    PubMed

    Field, Martin J

    2008-07-01

    The pDynamo program has been developed for the simulation of molecular systems using hybrid quantum chemical (QC) and molecular mechanical (MM) potentials. pDynamo is written in a mixture of the computer languages Python and C and is a successor to the previous version of Dynamo, now denoted fDynamo, that was written in Fortran 90 (J. Comput. Chem. 2000, 21, 1088). The current version of Dynamo has a similar range of functionality to the older one but extends it in some significant ways, including the addition of a density functional theory QC capability. This paper gives a general description of pDynamo and outlines some of the advantages and disadvantages that have been encountered in switching computer languages. Some technical aspects of the implementation of pDynamo's algorithms are also discussed and illustrated with the results of example calculations. pDynamo is available on the Web at the address http://www.pdynamo.org and is released under the CeCILL license which is equivalent to the GNU general public license but conforms to the principles of French law.

  16. Hybrid Simulations of the Enceladus Plasma Interaction and Comparison with MAG Data

    NASA Astrophysics Data System (ADS)

    Kriegel, H.; Simon, S.; Wiehle, S.; Kleindienst, G.; Motschmann, U.; Glassmeier, K.; Saur, J.; Khurana, K. K.; Dougherty, M. K.

    2008-12-01

    The Cassini Spacecraft has made four close flybys of Saturn's icy moon Enceladus. It became evident that a large water vapour and dust plume is located below Enceladus' south pole. Cassini plasma and magnetic field measurements indicate a source strength exceeding 100 kg/s and show a significant draping of the magnetic field lines. Cassini observations suggest a plume diameter of at least 2 Enceladus radii and a mass loading rate of about 2-3 kg/s. We study the interaction of Enceladus with the Saturnian magnetospheric plasma and magnetic field by using a three-dimensional hybrid model, which treats the electrons as a fluid and the ions as individual particles. Our model includes a self-consistent description of the obstacle's internal conductivity and also considers ion-neutral-collisions. We analyze systematically how the obstacle's internal conductivity as well as the shape and size of the plume contribute to the overall structure of the interaction region. The presence of the plume gives rise to a magnetic cavity downstream of the moon and a magnetic pile-up region, while the field lines are able to pass through the solid body of Enceladus almost unaffected. Our simulation results are in reasonable agreement with observations made by the Cassini magnetometer instrument.

  17. Simulation of the hybrid Tunka Advanced International Gamma-ray and Cosmic ray Astrophysics (TAIGA)

    NASA Astrophysics Data System (ADS)

    Kunnas, M.; Astapov, I.; Barbashina, N.; Beregnev, S.; Bogdanov, A.; Bogorodskii, D.; Boreyko, V.; Brückner, M.; Budnev, N.; Chiavassa, A.; Chvalaev, O.; Dyachok, A.; Epimakhov, S.; Eremin, T.; Gafarov, A.; Gorbunov, N.; Grebenyuk, V.; Gress, O.; Gress, T.; Grinyuk, A.; Grishin, O.; Horns, D.; Ivanova, A.; Karpov, N.; Kalmykov, N.; Kazarina, Y.; Kindin, V.; Kirichkov, N.; Kiryuhin, S.; Kokoulin, R.; Kompaniets, K.; Konstantinov, E.; Korobchenko, A.; Korosteleva, E.; Kozhin, V.; Kuzmichev, L.; Lenok, V.; Lubsandorzhiev, B.; Lubsandorzhiev, N.; Mirgazov, R.; Mirzoyan, R.; Monkhoev, R.; Nachtigall, R.; Pakhorukov, A.; Panasyuk, M.; Pankov, L.; Perevalov, A.; Petrukhin, A.; Platonov, V.; Poleschuk, V.; Popescu, M.; Popova, E.; Porelli, A.; Porokhovoy, S.; Prosin, V.; Ptuskin, V.; Romanov, V.; Rubtsov, G. I.; Müger; Rybov, E.; Samoliga, V.; Satunin, P.; Saunkin, A.; Savinov, V.; Semeney, Yu; Shaibonov (junior, B.; Silaev, A.; Silaev (junior, A.; Skurikhin, A.; Slunecka, M.; Spiering, C.; Sveshnikova, L.; Tabolenko, V.; Tkachenko, A.; Tkachev, L.; Tluczykont, M.; Veslopopov, A.; Veslopopova, E.; Voronov, D.; Wischnewski, R.; Yashin, I.; Yurin, K.; Zagorodnikov, A.; Zirakashvili, V.; Zurbanov, V.

    2015-08-01

    Up to several 10s of TeV, Imaging Air Cherenkov Telescopes (IACTs) have proven to be the instruments of choice for GeV/TeV gamma-ray astronomy due to their good reconstrucion quality and gamma-hadron separation power. However, sensitive observations at and above 100 TeV require very large effective areas (10 km2 and more), which is difficult and expensive to achieve. The alternative to IACTs are shower front sampling arrays (non-imaging technique or timing-arrays) with a large area and a wide field of view. Such experiments provide good core position, energy and angular resolution, but only poor gamma-hadron separation. Combining both experimental approaches, using the strengths of both techniques, could optimize the sensitivity to the highest energies. The TAIGA project plans to combine the non-imaging HiSCORE [8] array with small (∼10m2) imaging telescopes. This paper covers simulation results of this hybrid approach.

  18. Plasmonic Excitations of 1D Metal-Dielectric Interfaces in 2D Systems: 1D Surface Plasmon Polaritons

    NASA Astrophysics Data System (ADS)

    Mason, Daniel R.; Menabde, Sergey G.; Yu, Sunkyu; Park, Namkyoo

    2014-04-01

    Surface plasmon-polariton (SPP) excitations of metal-dielectric interfaces are a fundamental light-matter interaction which has attracted interest as a route to spatial confinement of light far beyond that offered by conventional dielectric optical devices. Conventionally, SPPs have been studied in noble-metal structures, where the SPPs are intrinsically bound to a 2D metal-dielectric interface. Meanwhile, recent advances in the growth of hybrid 2D crystals, which comprise laterally connected domains of distinct atomically thin materials, provide the first realistic platform on which a 2D metal-dielectric system with a truly 1D metal-dielectric interface can be achieved. Here we show for the first time that 1D metal-dielectric interfaces support a fundamental 1D plasmonic mode (1DSPP) which exhibits cutoff behavior that provides dramatically improved light confinement in 2D systems. The 1DSPP constitutes a new basic category of plasmon as the missing 1D member of the plasmon family: 3D bulk plasmon, 2DSPP, 1DSPP, and 0D localized SP.

  19. Effect of backbone chemistry on hybridization thermodynamics of oligonucleic acids: a coarse-grained molecular dynamics simulation study.

    PubMed

    Ghobadi, Ahmadreza F; Jayaraman, Arthi

    2016-02-28

    In this paper we study how varying oligonucleic acid backbone chemistry affects the hybridization/melting thermodynamics of oligonucleic acids. We first describe the coarse-grained (CG) model with tunable parameters that we developed to enable the study of both naturally occurring oligonucleic acids, such as DNA, and their chemically-modified analogues, such as peptide nucleic acids (PNAs) and locked nucleic acids (LNAs). The DNA melting curves obtained using such a CG model and molecular dynamics simulations in an implicit solvent and with explicit ions match with the melting curves obtained using the empirical nearest-neighbor models. We use these CG simulations to then elucidate the effect of backbone flexibility, charge, and nucleobase spacing along the backbone on the melting curves, potential energy and conformational entropy change upon hybridization and base-pair hydrogen bond residence time. We find that increasing backbone flexibility decreases duplex thermal stability and melting temperature mainly due to increased conformational entropy loss upon hybridization. Removing charges from the backbone enhances duplex thermal stability due to the elimination of electrostatic repulsion and as a result a larger energetic gain upon hybridization. Lastly, increasing nucleobase spacing decreases duplex thermal stability due to decreasing stacking interactions that are important for duplex stability.

  20. A Hybrid Geophysical Fluid Dynamics and Fully 3D Fluid Dynamics Approach to Simulate Multiphysics Coastal Flows

    NASA Astrophysics Data System (ADS)

    Tang, H.; Qu, K.

    2014-12-01

    A hybrid method that couples a geophysical fluid dynamics model to a fully 3D fluid dynamics model is the most feasible and promising approach to simulate coastal ocean flow phenomena that involve multiple types of physics spanning a vast range of temporal and spatial scales. We propose such a hybrid method that couples the Finite Volume Coastal Ocean Model (FVCOM) with the Solver for Incompressible Flow on Overset Meshes (SIFOM); the former is used to simulate large-scale estuary flows, and the latter is employed to capture small-scale local processes. The coupling involves distinct governing equations, different numerical algorithms, and dissimilar grids, and it is two-way and realized using the Schwartz alternative iteration. In this presentation, the proposed method will be outlined, and a few applications that are newly produced by it but cannot be handled by other conventional approaches will be presented.

  1. Modeling, Simulation Design and Control of Hybrid-Electric Vehicle Drives

    SciTech Connect

    Giorgio Rizzoni

    2005-09-30

    Ohio State University (OSU) is uniquely poised to establish such a center, with interdisciplinary emphasis on modeling, simulation, design and control of hybrid-electric drives for a number of reasons, some of which are: (1) The OSU Center for Automotive Research (CAR) already provides an infrastructure for interdisciplinary automotive research and graduate education; the facilities available at OSU-CAR in the area of vehicle and powertrain research are among the best in the country. CAR facilities include 31,000 sq. feet of space, multiple chassis and engine dynamometers, an anechoic chamber, and a high bay area. (2) OSU has in excess of 10 graduate level courses related to automotive systems. A graduate level sequence has already been initiated with GM. In addition, an Automotive Systems Engineering (ASE) program cosponsored by the mechanical and electrical engineering programs, had been formulated earlier at OSU, independent of the GATE program proposal. The main objective of the ASE is to provide multidisciplinary graduate education and training in the field of automotive systems to Masters level students. This graduate program can be easily adapted to fulfill the spirit of the GATE Center of Excellence. (3) A program in Mechatronic Systems Engineering has been in place at OSU since 1994; this program has a strong emphasis on automotive system integration issues, and has emphasized hybrid-electric vehicles as one of its application areas. (4) OSU researchers affiliated with CAR have been directly involved in the development and study of: HEV modeling and simulation; electric drives; transmission design and control; combustion engines; and energy storage systems. These activities have been conducted in collaboration with government and automotive industry sponsors; further, the same researchers have been actively involved in continuing education programs in these areas with the automotive industry. The proposed effort will include: (1) The development of a

  2. Hybrid multi-grids simulations of Ganymede's magnetosphere : comparison with Galileo observations.

    NASA Astrophysics Data System (ADS)

    Leclercq, L.; Modolo, R.; Leblanc, F.

    2015-12-01

    The Jovian satellite Ganymede is the biggest moon of our solar system. One of the main motivation of our interest for this moon is its own intrinsic magnetic field, which has been discovered during the Galileo mission (Kivelson et al. 1996). The magnetic field of Ganymede directly interacts with the corotating jovian plasma, leading to the formation of a mini-magnetosphere which is embedded in the giant magnetosphere of Jupiter. This is the only known case of interaction between two planetary magnetospheres.In the frame of the European space mission JUICE (Jupiter Icy moon Exploration), we investigate this unique interaction with a 3D parallel multi-species hybrid model. This model is based on the CAM-CL algorithm (Matthews 1994) and has been used to study the ionized environments of Titan, Mars and Mercury. In the hybrid formalism, ions are kinetically treated whereas electrons are considered as a zero-inertial fluid to ensure the quasi-neutrality of the plasma. The temporal evolution of the electromagnetic fields is calculated solving Maxwell's equations. The jovian magnetospheric plasma is described as being composed of oxygen and proton ions. The magnetic field of Ganymede, which includes dipolar and induced components (Kivelson et al, 2002), is distorted by its interaction with the Jovian plasma and formed the Alfvén wings. The planetary plasma is described as being composed of O+, with a scale height equal to 125 km. The description of the exosphere is provided by the 3D multi-species collisional exospheric/atmospheric model of Leblanc et al, (2015) and Turc et al. (2014). The ionization of this neutral exosphere by charge exchanges, by electronic impacts, and by reaction with solar photons contributes to the production of planetary plasma. In this model, calculations are performed on a cartesian simulation grid which is refined (down to ~120 km of spatial resolution) at Ganymede, using a multi-grids approach (Leclercq et al., submitted, 2015). Results are

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

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Amitabh; Kesarkar, Tejas

    2016-10-01

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

  4. Evolution of flux ropes in the magnetotail: A three-dimensional global hybrid simulation

    SciTech Connect

    Lu, S.; Lin, Y.; Wang, X. Y.; Lu, Q. M. Huang, C.; Wu, M. Y.; Wang, S.; Wang, R. S.

    2015-05-15

    Flux ropes in the Earth's magnetotail are widely believed to play a crucial role in energy transport during substorms and the generation of energetic particles. Previous kinetic simulations are limited to the local-scale regime, and thus cannot be used to study the structure associated with the geomagnetic field and the global-scale evolution of the flux ropes. Here, the evolution of flux ropes in the magnetotail under a steady southward interplanetary magnetic field are studied with a newly developed three-dimensional global hybrid simulation model for dynamics ranging from the ion Larmor radius to the global convection time scales. Magnetic reconnection with multiple X-lines is found to take place in the near-tail current sheet at geocentric solar magnetospheric distances x=−30R{sub E}∼−15R{sub E} around the equatorial plane (z=0). The magnetotail reconnection layer is turbulent, with a nonuniform structure and unsteady evolution, and exhibits properties of typical collisionless fast reconnection with the Hall effect. A number of small-scale flux ropes are generated through the multiple X-line reconnection. The diameter of the flux ropes is several R{sub E}, and the spatial scale of the flux ropes in the dawn-dusk direction is on the order of several R{sub E} and does not extend across the entire section of the magnetotail, contrary to previous models and MHD simulation results and showing the importance of the three-dimensional effects. The nonuniform and unsteady multiple X-line reconnection with particle kinetic effects leads to various kinds of flux rope evolution: The small-scale flux ropes propagate earthward or tailward after formation, and eventually merge into the near-Earth region or the mid-/distant-tail plasmoid, respectively. During the propagation, some of the flux ropes can be tilted in the geocentric solar magnetospheric (x,y) plane with respect to the y (dawn-dusk) axis. Coalescence between flux ropes is also observed. At the same time, the

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

    PubMed

    Bhattacharya, Amitabh; Kesarkar, Tejas

    2016-10-01

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

  6. First results from ARTEMIS lunar wake crossing: observations and hybrid simulation

    NASA Astrophysics Data System (ADS)

    Plaschke, F.; Wiehle, S.; Angelopoulos, V.; Auster, H.; Georgescu, E.; Glassmeier, K.; Motschmann, U. M.; Sibeck, D. G.

    2010-12-01

    The Moon does not have an intrinsic magnetic field and its conductivity is not sufficient to facilitate the development of an induced magnetosphere. The interaction of the Moon with the unperturbed solar wind (SW) is, hence, dominated by the absorption of SW particles on its surface and the consequent generation of a lunar wake on the night side. The SW magnetic field is basically convected through the Moon; the pressure imbalance in lunar wake, however, accounts for a slight increase in magnetic pressure in the lunar wake center. The wake is slowly filled up with SW particles due to their thermal motion, which generates a magnetohydrodynamic (MHD) rarefaction wave propagating away from the wake in the SW frame of reference. Over the last 3 years the Time History of Events and Macroscale Interactions During Substorms (THEMIS) mission provided excellent data helping the scientific community in drawing a detailed picture of the physical processes associated with the development of substorms in the terrestrial magnetotail. Two of the five THEMIS spacecraft are currently being sent into stationary orbits around the Moon in a follow-up mission called Acceleration, Reconnection, Turbulence and Electrodynamics of the Moon's Interaction with the Sun (ARTEMIS). The ARTEMIS P1 spacecraft (formerly THEMIS-B) has recently passed through the lunar wake in a flyby maneuver on February 13, 2010. We show first results of two hybrid code simulations with static and, for the first time, dynamically changing SW input. Adapted SW monitor data of the NASA OMNI database is used as input for the simulations. During the wake crossing the spin stabilized spacecraft P1 was in lunar shadow and, hence, its spin period cannot be determined from sun sensor data. Therefore, an eclipse-spin model is applied to bridge the gap of missing spin period data in order to recover vector measurements. A comparison of the simulation results with correctly despun magnetic field and particle measurements of

  7. Hybrid photovoltaic/thermal (PV/T) solar systems simulation with Simulink/Matlab

    SciTech Connect

    da Silva, R.M.; Fernandes, J.L.M.

    2010-12-15

    The purpose of this work consists in thermodynamic modeling of hybrid photovoltaic-thermal (PV/T) solar systems, pursuing a modular strategy approach provided by Simulink/Matlab. PV/T solar systems are a recently emerging solar technology that allows for the simultaneous conversion of solar energy into both electricity and heat. This type of technology present some interesting advantages over the conventional ''side-by-side'' thermal and PV solar systems, such as higher combined electrical/thermal energy outputs per unit area, and a more uniform and aesthetical pleasant roof area. Despite the fact that early research on PV/T systems can be traced back to the seventies, only recently it has gained a renewed impetus. In this work, parametric studies and annual transient simulations of PV/T systems are undertaken in Simulink/Matlab. The obtained results show an average annual solar fraction of 67%, and a global overall efficiency of 24% (i.e. 15% thermal and 9% electrical), for a typical four-person single-family residence in Lisbon, with p-Si cells, and a collector area of 6 m{sup 2}. A sensitivity analysis performed on the PV/T collector suggests that the most important variable that should be addressed to improve thermal performance is the photovoltaic (PV) module emittance. Based on those results, some additional improvements are proposed, such as the use of vacuum, or a noble gas at low-pressure, to allow for the removal of PV cells encapsulation without air oxidation and degradation, and thus reducing the PV module emittance. Preliminary results show that this option allows for an 8% increase on optical thermal efficiency, and a substantial reduction of thermal losses, suggesting the possibility of working at higher fluid temperatures. The higher working temperatures negative effect in electrical efficiency was negligible, due to compensation by improved optical properties. The simulation results are compared with experimental data obtained from other authors

  8. Hybrid Parallelization of Adaptive MHD-Kinetic Module in Multi-Scale Fluid-Kinetic Simulation Suite

    SciTech Connect

    Borovikov, Sergey; Heerikhuisen, Jacob; Pogorelov, Nikolai

    2013-04-01

    The Multi-Scale Fluid-Kinetic Simulation Suite has a computational tool set for solving partially ionized flows. In this paper we focus on recent developments of the kinetic module which solves the Boltzmann equation using the Monte-Carlo method. The module has been recently redesigned to utilize intra-node hybrid parallelization. We describe in detail the redesign process, implementation issues, and modifications made to the code. Finally, we conduct a performance analysis.

  9. Development of a hybrid 3-D hydrological model to simulate hillslopes and the regional unconfined aquifer system in Earth system models

    NASA Astrophysics Data System (ADS)

    Hazenberg, P.; Broxton, P. D.; Brunke, M.; Gochis, D.; Niu, G. Y.; Pelletier, J. D.; Troch, P. A. A.; Zeng, X.

    2015-12-01

    The terrestrial hydrological system, including surface and subsurface water, is an essential component of the Earth's climate system. Over the past few decades, land surface modelers have built one-dimensional (1D) models resolving the vertical flow of water through the soil column for use in Earth system models (ESMs). These models generally have a relatively coarse model grid size (~25-100 km) and only account for sub-grid lateral hydrological variations using simple parameterization schemes. At the same time, hydrologists have developed detailed high-resolution (~0.1-10 km grid size) three dimensional (3D) models and showed the importance of accounting for the vertical and lateral redistribution of surface and subsurface water on soil moisture, the surface energy balance and ecosystem dynamics on these smaller scales. However, computational constraints have limited the implementation of the high-resolution models for continental and global scale applications. The current work presents a hybrid-3D hydrological approach is presented, where the 1D vertical soil column model (available in many ESMs) is coupled with a high-resolution lateral flow model (h2D) to simulate subsurface flow and overland flow. H2D accounts for both local-scale hillslope and regional-scale unconfined aquifer responses (i.e. riparian zone and wetlands). This approach was shown to give comparable results as those obtained by an explicit 3D Richards model for the subsurface, but improves runtime efficiency considerably. The h3D approach is implemented for the Delaware river basin, where Noah-MP land surface model (LSM) is used to calculated vertical energy and water exchanges with the atmosphere using a 10km grid resolution. Noah-MP was coupled within the WRF-Hydro infrastructure with the lateral 1km grid resolution h2D model, for which the average depth-to-bedrock, hillslope width function and soil parameters were estimated from digital datasets. The ability of this h3D approach to simulate

  10. Crash simulation of hybrid structures considering the stress and strain rate dependent material behavior of thermoplastic materials

    NASA Astrophysics Data System (ADS)

    Hopmann, Ch.; Schöngart, M.; Weber, M.; Klein, J.

    2015-05-01

    Thermoplastic materials are more and more used as a light weight replacement for metal, especially in the automotive industry. Since these materials do not provide the mechanical properties, which are required to manufacture supporting elements like an auto body or a cross bearer, plastics are combined with metals in so called hybrid structures. Normally, the plastics components are joined to the metal structures using different technologies like welding or screwing. Very often, the hybrid structures are made of flat metal parts, which are stiffened by a reinforcement structure made of thermoplastic materials. The loads on these structures are very often impulsive, for example in the crash situation of an automobile. Due to the large stiffness variation of metal and thermoplastic materials, complex states of stress and very high local strain rates occur in the contact zone under impact conditions. Since the mechanical behavior of thermoplastic materials is highly dependent on these types of load, the crash failure of metal plastic hybrid parts is very complex. The problem is that the normally used strain rate dependent elastic/plastic material models are not capable to simulate the mechanical behavior of thermoplastic materials depended on the state of stress. As part of a research project, a method to simulate the mechanical behavior of hybrid structures under impact conditions is developed at the IKV. For this purpose, a specimen for the measurement of mechanical properties dependet on the state of stress and a method for the strain rate depended characterization of thermoplastic materials were developed. In the second step impact testing is performed. A hybrid structure made from a metal sheet and a reinforcement structure of a Polybutylenterephthalat Polycarbonate blend is tested under impact conditions. The measured stress and strain rate depended material data are used to simulate the mechanical behavior of the hybrid structure under highly dynamic load with

  11. Global Effects of the Interplanetary Shock Propagation through the Earth's Inner Magnetosphere: 3D Hybrid Kinetic ModelingA.S. Lipatov {1}, D.G. Sibeck {2}{1} GPHI UMBC/NASA GSFC, Greenbelt, MD 20771, USA {2} NASA GSFC, Greenbelt, MD 20771, USA

    NASA Astrophysics Data System (ADS)

    Lipatov, A. S.; Sibeck, D. G.

    2015-12-01

    We use a new hybrid kinetic model to simulate the response of ring current, outer radiation belt, and plasmasphere particle populations to impulsive interplanetary shocks. Since particle distributions attending the interplanetary shock waves and in the ring current and radiation belts are non-Maxwellian, wave-particle interactions play a crucial role in energy transport within the inner magnetosphere. Finite gyroradius effects become important in mass loading the shock waves with the background plasma in the presence of higher energy ring current and radiation belt ions and electrons. Initial results show that the shock causes strong deformations in the global structure of the ring current, radiation belt, and plasmasphere. The ion velocity distribution functions at the shock front, in the ring current, and in the radiation belt help us to determine energy transport through the Earth's inner magnetosphere. We compare our predictions with THEMIS and Van Allen Probes spacecraft observations.

  12. Global hybrid simulations of energetic particle effects on the n=1 mode in tokamaks: Internal kink and fishbone instability

    SciTech Connect

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

    2006-05-15

    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.

  13. 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.

  14. First Lunar Wake Passage of ARTEMIS: Discrimination of Wake Effects and Solar Wind Fluctuations by 3D Hybrid Simulations

    NASA Technical Reports Server (NTRS)

    Wiehle, S.; Plaschke, F.; Motschmann, U.; Glassmeier, K. H.; Auster, H. U.; Angelopoulos, V.; Mueller, J.; Kriegel, H.; Georgescu, E.; Halekas, J.; Sibeck, D. G.; McFadden, J. P.

    2011-01-01

    The spacecraft P1 of the new ARTEMIS (Acceleration, Reconnection, Turbulence, and Electrodynamics of the Moon's Interaction with the Sun) mission passed the lunar wake for the first time on February 13, 2010. We present magnetic field and plasma data of this event and results of 3D hybrid simulations. As the solar wind magnetic field was highly dynamic during the passage, a simulation with stationary solar wind input cannot distinguish whether distortions were caused by these solar wind variations or by the lunar wake; therefore, a dynamic real-time simulation of the flyby has been performed. The input values of this simulation are taken from NASA OMNI data and adapted to the P1 data, resulting in a good agreement between simulation and measurements. Combined with the stationary simulation showing non-transient lunar wake structures, a separation of solar wind and wake effects is achieved. An anisotropy in the magnitude of the plasma bulk flow velocity caused by a non-vanishing magnetic field component parallel to the solar wind flow and perturbations created by counterstreaming ions in the lunar wake are observed in data and simulations. The simulations help to interpret the data granting us the opportunity to examine the entire lunar plasma environment and, thus, extending the possibilities of measurements alone: A comparison of a simulation cross section to theoretical predictions of MHD wave propagation shows that all three basic MHD modes are present in the lunar wake and that their expansion governs the lunar wake refilling process.

  15. Hall effect control of magnetotail dawn-dusk asymmetry: A three-dimensional global hybrid simulation

    NASA Astrophysics Data System (ADS)

    Lu, San; Lin, Y.; Angelopoulos, V.; Artemyev, A. V.; Pritchett, P. L.; Lu, Quanming; Wang, X. Y.

    2016-12-01

    Magnetotail reconnection and related phenomena (e.g., flux ropes, dipolarizing flux bundles, flow bursts, and particle injections) occur more frequently on the duskside than on the dawnside. Because this asymmetry can directly result in dawn-dusk asymmetric space weather effects, uncovering its physical origin is important for better understanding, modeling, and prediction of the space weather phenomena. However, the cause of this pervasive asymmetry is unclear. Using three-dimensional global hybrid simulations, we demonstrate that the Hall physics in the magnetotail current sheet is responsible for the asymmetry. The current sheet thins progressively under enhanced global convection; when its thickness reaches ion kinetic scales, some ions are decoupled from the magnetized electrons (the Hall effect). The resultant Hall electric field Ez is directed toward the neutral plane. The Hall effect is stronger (grows faster) on the duskside; i.e., more ions become unmagnetized there and do not comove with the magnetized dawnward Ez × Bx drifting electrons, thus creating a larger additional cross-tail current intensity jy (in addition to the diamagnetic current) on the duskside, compared to the dawnside. The stronger Hall effect strength on the duskside is controlled by the higher ion temperature, thinner current sheet, and smaller normal magnetic field Bz there. These asymmetric current sheet properties are in turn controlled by two competing processes that correspond to the Hall effect: (1) the dawnward E × B drift of the magnetic flux and magnetized ions and electrons and (2) the transient motion of the unmagnetized ions which do not execute E × B drift.

  16. Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins

    NASA Astrophysics Data System (ADS)

    Hammes-Schiffer, Sharon; Billeter, Salomon R.

    A hybrid approach for simulating proton and hydride transfer reactions in solution and proteins is described. The electronic quantum effects are incorporated with an empirical valence bond potential. The nuclear quantum effects are included with a mixed quantum-classical molecular dynamics method in which the transferring hydrogen nuclei are represented by multidimensional vibrational wavefunctions. The free energy profiles are obtained as functions of a collective reaction coordinate, and a mapping or umbrella potential is utilized to drive the reaction over the barrier for infrequent events. The vibrationally adiabatic nuclear quantum effects are incorporated into the free energy profiles. The dynamics are described with the molecular dynamics with quantum transitions (MDQT) surface hopping method, which incorporates vibrationally non-adiabatic effects. The MDQT method is combined with a reactive flux approach to calculate the transmission coefficient and to investigate the real-time dynamics of reactive trajectories. Nuclear quantum effects such as zero point energy, hydrogen tunnelling and non-adiabatic transitions, as well as the dynamics of the solvent and protein environment, are included during the generation of the free energy profiles and dynamical trajectories. This methodology provides detailed mechanistic information at the molecular level and allows the calculation of rates and kinetic isotope effects. The feasibility of this approach is illustrated through an application to hydride transfer in the enzyme liver alcohol dehydrogenase. This approach may be extended for use with mixed quantum mechanical-molecular mechanical potentials and alternative mixed quantum-classical molecular dynamics methods. It has also been generalized for multiple proton and protoncoupled electron transfer reactions.

  17. EMODEL_1D v. 1.0

    SciTech Connect

    Aldridge, David F.

    2016-07-06

    Program EMODEL_1D is an electromagnetic earth model construction utility designed to generate a three-dimensional (3D) uniformly-gridded representation of one-dimensional (1D) layered earth model. Each layer is characterized by the isotropic EM properties electric permittivity ?, magnetic permeability ?, and current conductivity ?. Moreover, individual layers of the model may possess a linear increase/decrease of any or all of these properties with depth.

  18. Numerical simulation and validation of SI-CAI hybrid combustion in a CAI/HCCI gasoline engine

    NASA Astrophysics Data System (ADS)

    Wang, Xinyan; Xie, Hui; Xie, Liyan; Zhang, Lianfang; Li, Le; Chen, Tao; Zhao, Hua

    2013-02-01

    SI-CAI hybrid combustion, also known as spark-assisted compression ignition (SACI), is a promising concept to extend the operating range of CAI (Controlled Auto-Ignition) and achieve the smooth transition between spark ignition (SI) and CAI in the gasoline engine. In this study, a SI-CAI hybrid combustion model (HCM) has been constructed on the basis of the 3-Zones Extended Coherent Flame Model (ECFM3Z). An ignition model is included to initiate the ECFM3Z calculation and induce the flame propagation. In order to precisely depict the subsequent auto-ignition process of the unburned fuel and air mixture independently after the initiation of flame propagation, the tabulated chemistry concept is adopted to describe the auto-ignition chemistry. The methodology for extracting tabulated parameters from the chemical kinetics calculations is developed so that both cool flame reactions and main auto-ignition combustion can be well captured under a wider range of thermodynamic conditions. The SI-CAI hybrid combustion model (HCM) is then applied in the three-dimensional computational fluid dynamics (3-D CFD) engine simulation. The simulation results are compared with the experimental data obtained from a single cylinder VVA engine. The detailed analysis of the simulations demonstrates that the SI-CAI hybrid combustion process is characterised with the early flame propagation and subsequent multi-site auto-ignition around the main flame front, which is consistent with the optical results reported by other researchers. Besides, the systematic study of the in-cylinder condition reveals the influence mechanism of the early flame propagation on the subsequent auto-ignition.

  19. Fuel Economy and Performance of Mild Hybrids with Ultracapacitors: Simulations and Vehicle Test Results (Presentation)

    SciTech Connect

    Gonder, J.; Pesaran, A.; Lustbader, J.; Tataria, H.

    2009-06-01

    NREL worked with GM and demonstrated equivalent performance in the Saturn Vue Belt Alternator Starter (BAS) hybrid vehicle whether running with its stock batteries or a retrofit ultracapacitor system.

  20. Three-dimensional finite element simulation of intermingled-fiber hybrid composite behavior

    NASA Technical Reports Server (NTRS)

    Mital, Subodh K.; Chamis, Christos C.

    1992-01-01

    Three-dimensional finite element methods and the intraply hybrid micromechanics equations are used to predict composite properties for a unidirectional graphite-epoxy primary composite with S-glass fibers used as hybridizing fibers. The micromechanics equations are embedded in a computer code ICAN (Integrated Composites Analyzer). The three-dimensional finite element model consists of three-by-three unit cell array, with a total fiber volume ratio of 0.54. There is a good agreement between the composite properties and microstresses obtained from both methods. The results indicate that the finite element methods and micromechanics equations can be used to obtain the properties of intermingled hybrid composites needed for analysis/design of hybrid composite structures.

  1. Application of Hybrid Real-Time Power System Simulator for Designing and Researching of Relay Protection and Automation

    NASA Astrophysics Data System (ADS)

    Borovikov, Yu S.; Sulaymanov, A. O.; Andreev, M. V.

    2015-10-01

    Development, research and operation of smart grids (SG) with active-adaptive networks (AAS) are actual tasks for today. Planned integration of high-speed FACTS devices greatly complicates complex dynamic properties of power systems. As a result the operating conditions of equipment of power systems are significantly changing. Such situation creates the new actual problem of development and research of relay protection and automation (RPA) which will be able to adequately operate in the SGs and adapt to its regimes. Effectiveness of solution of the problem depends on using tools - different simulators of electric power systems. Analysis of the most famous and widely exploited simulators led to the conclusion about the impossibility of using them for solution of the mentioned problem. In Tomsk Polytechnic University developed the prototype of hybrid multiprocessor software and hardware system - Hybrid Real-Time Power System Simulator (HRTSim). Because of its unique features this simulator can be used for solution of mentioned tasks. This article introduces the concept of development and research of relay protection and automation with usage of HRTSim.

  2. Hybrid method for fast Monte Carlo simulation of diffuse reflectance from a multilayered tissue model with tumor-like heterogeneities.

    PubMed

    Zhu, Caigang; Liu, Quan

    2012-01-01

    We present a hybrid method that combines a multilayered scaling method and a perturbation method to speed up the Monte Carlo simulation of diffuse reflectance from a multilayered tissue model with finite-size tumor-like heterogeneities. The proposed method consists of two steps. In the first step, a set of photon trajectory information generated from a baseline Monte Carlo simulation is utilized to scale the exit weight and exit distance of survival photons for the multilayered tissue model. In the second step, another set of photon trajectory information, including the locations of all collision events from the baseline simulation and the scaling result obtained from the first step, is employed by the perturbation Monte Carlo method to estimate diffuse reflectance from the multilayered tissue model with tumor-like heterogeneities. Our method is demonstrated to shorten simulation time by several orders of magnitude. Moreover, this hybrid method works for a larger range of probe configurations and tumor models than the scaling method or the perturbation method alone.

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

    SciTech Connect

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

    2016-07-07

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

  4. Air-snowpack exchange of bromine, ozone and mercury in the springtime Arctic simulated by the 1-D model PHANTAS - Part 1: In-snow bromine activation and its impact on ozone

    NASA Astrophysics Data System (ADS)

    Toyota, K.; McConnell, J. C.; Staebler, R. M.; Dastoor, A. P.

    2013-08-01

    To provide a theoretical framework towards better understanding of ozone depletion events (ODEs) and atmospheric mercury depletion events (AMDEs) in the polar boundary layer, we have developed a one-dimensional model that simulates multiphase chemistry and transport of trace constituents from porous snowpack and through the atmospheric boundary layer (ABL) as a unified system. In this paper, we describe a general configuration of the model and the results of simulations related to reactive bromine release from the snowpack and ODEs during the Arctic spring. The model employs a chemical mechanism adapted from the one previously used for the simulation of multiphase halogen chemistry involving deliquesced sea-salt aerosols in the marine boundary layer. A common set of aqueous-phase reactions describe chemistry both in the liquid-like (or brine) layer on the grain surface of the snowpack and in "haze" aerosols mainly composed of sulfate in the atmosphere. The process of highly soluble/reactive trace gases, whether entering the snowpack from the atmosphere or formed via gas-phase chemistry in the snowpack interstitial air (SIA), is simulated by the uptake on brine-covered snow grains and subsequent reactions in the aqueous phase while being traveled vertically within the SIA. A "bromine explosion", by which, in a conventional definition, HOBr formed in the ambient air is deposited and then converted heterogeneously to Br2, is a dominant process of reactive bromine formation in the top 1 mm (or less) layer of the snowpack. Deeper in the snowpack, HOBr formed within the SIA leads to an in-snow bromine explosion, but a significant fraction of Br2 is also produced via aqueous radical chemistry in the brine on the surface of the snow grains. These top- and deeper-layer productions of Br2 both contribute to the Br2 release into the atmosphere, but the deeper-layer production is found to be more important for the net outflux of reactive bromine. Although ozone is removed via

  5. Electromagnetic particle simulation of the effect of toroidicity on linear mode conversion and absorption of lower hybrid waves

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    Effects of toroidicity on linear mode conversion and absorption of lower hybrid (LH) waves in fusion plasmas have been studied using electromagnetic particle simulation. The simulation confirms that the toroidicity induces an upshift of parallel refractive index when LH waves propagate from the tokamak edge toward the core, which affects the radial position for the mode conversion between slow and fast LH waves. Furthermore, moving LH antenna launch position from low field side toward high field side leads to a larger upshift of the parallel refractive index, which helps the slow LH wave penetration into the tokamak core. The broadening of the poloidal spectrum of the wave-packet due to wave diffraction is also verified in the simulation. Both the upshift and broadening effects of the parallel spectrum of the wave-packet modify the parallel phase velocity and thus the linear absorption of LH waves by electron Landau resonance.

  6. Reconstruction of carbon atoms around a point defect of a graphene: a hybrid quantum/classical molecular-dynamics simulation.

    PubMed

    Kowaki, Y; Harada, A; Shimojo, F; Hoshino, K

    2009-02-11

    We have investigated the rearrangement of carbon atoms around a point defect of a graphene using a hybrid ab initio/classical molecular-dynamics (MD) simulation method, in which 36 carbon atoms surrounding a point defect are treated by the ab initio MD method and the other 475 carbon atoms relatively far from the point defect are treated by the classical MD method. We have confirmed a formation of a 5-1DB defect (a pentagon and a dangling bond) from the time dependence of atomic configurations and electron density distributions obtained by our simulation. We have found that the pentagon is formed in two different positions around the point defect, and that the two positions appear alternately during the simulation, the frequency of which increases with increasing temperature.

  7. Molecular dynamics simulation of joining process of Ag-Au nanowires and mechanical properties of the hybrid nanojoint

    SciTech Connect

    Ding, Su; Tian, Yanhong Jiang, Zhi; He, Xiaobin

    2015-05-15

    The nanojoining process of Ag-Au hybrid nanowires at 800K was comprehensively studied by virtue of molecular dynamics (MD) simulation. Three kinds of configurations including end-to-end, T-like and X-like were built in the simulation aiming to understand the nanojoining mechanism. The detailed dynamic evolution of atoms, crystal structure transformation and defects development during the nanojoining processes were performed. The results indicate that there are two stages in the nanojoining process of Ag-Au nanowires which are atom diffusion and new bonds formation. Temperature is a key parameter affecting both stages ascribed to the energy supply and the optimum temperature for Ag-Au nanojoint with diameter of 4.08 nm has been discussed. The mechanical properties of the nanojoint were examined with simulation of tensile test on the end-to-end joint. It was revealed that the nanojoint was strong enough to resist fracture at the joining area.

  8. Phase equilibria of molecular fluids via hybrid Monte Carlo Wang-Landau simulations: applications to benzene and n-alkanes.

    PubMed

    Desgranges, Caroline; Delhommelle, Jerome

    2009-06-28

    In recent years, powerful and accurate methods, based on a Wang-Landau sampling, have been developed to determine phase equilibria. However, while these methods have been extensively applied to study the phase behavior of model fluids, they have yet to be applied to molecular systems. In this work, we show how, by combining hybrid Monte Carlo simulations in the isothermal-isobaric ensemble with the Wang-Landau sampling method, we determine the vapor-liquid equilibria of various molecular fluids. More specifically, we present results obtained on rigid molecules, such as benzene, as well as on flexible chains of n-alkanes. The reliability of the method introduced in this work is assessed by demonstrating that our results are in excellent agreement with the results obtained in previous work on simple fluids, using either transition matrix or conventional Monte Carlo simulations with a Wang-Landau sampling, and on molecular fluids, using histogram reweighting or Gibbs ensemble Monte Carlo simulations.

  9. Dynamic modelling of an adsorption storage tank using a hybrid approach combining computational fluid dynamics and process simulation

    USGS Publications Warehouse

    Mota, J.P.B.; Esteves, I.A.A.C.; Rostam-Abadi, M.

    2004-01-01

    A computational fluid dynamics (CFD) software package has been coupled with the dynamic process simulator of an adsorption storage tank for methane fuelled vehicles. The two solvers run as independent processes and handle non-overlapping portions of the computational domain. The codes exchange data on the boundary interface of the two domains to ensure continuity of the solution and of its gradient. A software interface was developed to dynamically suspend and activate each process as necessary, and be responsible for data exchange and process synchronization. This hybrid computational tool has been successfully employed to accurately simulate the discharge of a new tank design and evaluate its performance. The case study presented here shows that CFD and process simulation are highly complementary computational tools, and that there are clear benefits to be gained from a close integration of the two. ?? 2004 Elsevier Ltd. All rights reserved.

  10. 1-D blood flow modelling in a running human body.

    PubMed

    Szabó, Viktor; Halász, Gábor

    2017-04-10

    In this paper an attempt was made to simulate blood flow in a mobile human arterial network, specifically, in a running human subject. In order to simulate the effect of motion, a previously published immobile 1-D model was modified by including an inertial force term into the momentum equation. To calculate inertial force, gait analysis was performed at different levels of speed. Our results show that motion has a significant effect on the amplitudes of the blood pressure and flow rate but the average values are not effected significantly.

  11. Design, simulation, and fabrication of a 90° SOI optical hybrid based on the self-imaging principle

    NASA Astrophysics Data System (ADS)

    Abdul-Majid, Sawsan; Hasan, Imad I.; Bock, Przemek J.; Hall, Trevor J.

    2010-05-01

    This paper introduces a compact 90º optical hybrid, built on small size SOI waveguide technology .This optical hybrid is a critical component of a potentially low-cost coherent optical receiver design developed within the frame of our Optical Coherent Transmission for Access Network Extensions (OCTANE) project. In previous recent work, 90º optical hybrids were realized in SOI rib waveguide technology with 4 μm top silicon and a rib height of approximately 2 μm. In this paper, we introduce a compact 90º optical hybrid, built on small size SOI waveguide technology (1.5 μm SOI -based rib waveguide, with 0.8μm rib height). The proposed device consists of multimode interferometers (MMIs) connected in such a way that four different vector additions of a reference signal (local oscillator) and the signal to be detected are obtained. At the outputs, the hybrid provides four linear combination of the signal with the reference which differs by a relative phase shift of the reference of 90º. The four output signals are detected by a pair of balanced receivers to provide in-phase and quadrature (I&Q) channels. The phase differences arise naturally from the self imaging property of a MMI. The key elements of the 90º optical hybrid, including a 2×2 MMI, a 4×4 MMI, and polarization diversity configuration have been designed and simulated, using the numerical mode solving tool FIMMPROB. The 2×2 and 4×4 MMI had overall lengths of 701μm and 3712.5μm lengths respectively. Tapers are used to couple adiabatically single mode waveguides to the entrance and exit ports of the MMI to assure correct operation by avoiding coupling to the higher order transverse modes allowed at the entrance and exit ports of the MMI. The simulation results at 1550nm show polarization independence and phase errors between the ports of less than 0.03 degrees. Currently the design is in fabrication at the Canadian Photonics Fabrication Center with the support of CMC Microsystems and experimental

  12. Heat Capacity of 1D Molecular Chains

    NASA Astrophysics Data System (ADS)

    Bagatskii, M. I.; Barabashko, M. S.; Sumarokov, V. V.; Jeżowski, A.; Stachowiak, P.

    2017-04-01

    The heat capacity of 1D chains of nitrogen and methane molecules (adsorbed in the outer grooves of bundles of closed-cap single-walled carbon nanotubes) has been studied in the temperature ranges 2-40 and 2-60 K, respectively. The temperature dependence of the heat capacity of 1D chains of nitrogen molecules below 3 K is close to a linear. It was found that the rotational heat capacity of methane molecules is a significant part of the total heat capacity of the chains throughout the whole investigated temperature range, whereas in the case of nitrogen, the librations are significant only above 15 K. The dependence of the heat capacity for methane below 10 K indicates the presence of a Schottky anomaly caused by the tunneling between the lowest energy levels of the CH4 molecule rotational spectra. Characteristic features observed in the temperature dependence of the heat capacity of 1D methane crystals are also discussed.

  13. Upstream Design and 1D-CAE

    NASA Astrophysics Data System (ADS)

    Sawada, Hiroyuki

    Recently, engineering design environment of Japan is changing variously. Manufacturing companies are being challenged to design and bring out products that meet the diverse demands of customers and are competitive against those produced by rising countries(1). In order to keep and strengthen the competitiveness of Japanese companies, it is necessary to create new added values as well as conventional ones. It is well known that design at the early stages has a great influence on the final design solution. Therefore, design support tools for the upstream design is necessary for creating new added values. We have established a research society for 1D-CAE (1 Dimensional Computer Aided Engineering)(2), which is a general term for idea, methodology and tools applicable for the upstream design support, and discuss the concept and definition of 1D-CAE. This paper reports our discussion about 1D-CAE.

  14. Hybrid cadaveric/surrogate model of thoracolumbar spine injury due to simulated fall from height.

    PubMed

    Ivancic, Paul C

    2013-10-01

    A fall from high height can cause thoracolumbar spine fracture with retropulsion of endplate fragments into the canal leading to neurological deficit. Our objectives were to develop a hybrid cadaveric/surrogate model for producing thoracolumbar spine injury during simulated fall from height, evaluate the feasibility and performance of the model, and compare injuries with those observed clinically. Our model consisted of a 3-vertebra human lumbar specimen (L3-L4-L5) stabilized with muscle force replication and mounted within an impact dummy. The model was subjected to a fall from height of 2.2 m with impact velocity of 6.6 m/s. Kinetic and kinematic time-history responses were determined using spinal and pelvis load cell data and analyses of high-speed video. Injuries to the L4 vertebra were evaluated by fluoroscopy, radiography, and detailed anatomical dissection. Peak compression forces during the fall from height occurred at 7 ms and reached 44.7 kN at the ground, 9.1 kN at the pelvis, and 4.5 kN at the spine. Pelvis acceleration peaks reached 209.9 g at 8 ms for vertical and 62.8 g at 12 ms for rearward. Tensile load peaks were then observed (spine: 657.0 N at 47 ms; pelvis: 569.4 N at 61 ms). T1/pelvis peak flexion of 68.3° occurred at 38 ms as the upper torso translated forward while the pelvis translated rearward. Complete axial burst fracture of the L4 vertebra was observed including endplate comminution, retropulsion of bony fragments into the canal, loss of vertebral body height, and increased interpedicular distance due to fractures anterior to the pedicles and a vertical split fracture of the left lamina. Our dynamic injury model closely replicated the biomechanics of real-life fall from height and produced realistic, clinically relevant burst fracture of the lumbar spine. Our model may be used for further study of thoracolumbar spine injury mechanisms and injury prevention strategies.

  15. Investigation of storm time magnetotail and ion injection using three-dimensional global hybrid simulation

    NASA Astrophysics Data System (ADS)

    Lin, Y.; Wang, X. Y.; Lu, S.; Perez, J. D.; Lu, Q.

    2014-09-01

    Dynamics of the near-Earth magnetotail associated with substorms during a period of extended southward interplanetary magnetic field is studied using a three-dimensional (3-D) global hybrid simulation model that includes both the dayside and nightside magnetosphere, for the first time, with physics from the ion kinetic to the global Alfvénic convection scales. It is found that the dayside reconnection leads to the penetration of the dawn-dusk electric field through the magnetopause and thus a thinning of the plasma sheet, followed by the magnetotail reconnection with 3-D, multiple flux ropes. Ion kinetic physics is found to play important roles in the magnetotail dynamics, which leads to the following results: (1) Hall electric fields in the thin current layer cause a systematic dawnward ion drift motion and thus a dawn-dusk asymmetry of the plasma sheet with a higher (lower) density on the dawnside (duskside). Correspondingly, more reconnection occurs on the duskside. Bidirectional fast ions are generated due to acceleration in reconnection, and more high-speed earthward flow injections are found on the duskside than the dawnside. Such finding of the dawn-dusk asymmetry is consistent with recent satellite observations. (2) The injected ions undergo the magnetic gradient and curvature drift in the dipole-like field, forming a ring current. (3) Ion particle distributions reveal multiple populations/beams at various distances in the tail. (4) Dipolarization of the tail magnetic field takes place due to the pileup of the injected magnetic fluxes and thermal pressure of injected ions, where the fast earthward flow is stopped. Oscillation of the dipolarization front is developed at the fast-flow braking, predominantly on the dawnside. (5) Kinetic compressional wave turbulence is present around the dipolarization front. The cross-tail currents break into small-scale structures with k⟂ρi˜1, where k⟂ is the perpendicular wave number. A sharp dip of magnetic field

  16. Helical Floquet Channels in 1D Lattices

    NASA Astrophysics Data System (ADS)

    Budich, Jan Carl; Hu, Ying; Zoller, Peter

    2017-03-01

    We show how dispersionless channels exhibiting perfect spin-momentum locking can arise in a 1D lattice model. While such spectra are forbidden by fermion doubling in static 1D systems, here we demonstrate their appearance in the stroboscopic dynamics of a periodically driven system. Remarkably, this phenomenon does not rely on any adiabatic assumptions, in contrast to the well known Thouless pump and related models of adiabatic spin pumps. The proposed setup is shown to be experimentally feasible with state-of-the-art techniques used to control ultracold alkaline earth atoms in optical lattices.

  17. Simulating LGM retreat of the Uummannaq Ice Stream and Rinks Isbrae, Western Greenland using a 1-D ice-stream model constrained by a suite of marine and terrestrial data

    NASA Astrophysics Data System (ADS)

    Jamieson, Stewart; Roberts, Dave; Rea, Brice; Lane, Timothy; Vieli, Andreas; Cofaigh, Colm Ó.

    2014-05-01

    We aim to understand what controlled the retreat pattern of the Uummannaq Ice Stream (UIS) during the last deglaciation. Evidence for the pattern of retreat is found in both the marine and terrestrial realms, but because the evidence is temporally and spatially discontinuous, it is challenging to coherently reconstruct both grounding-line retreat and ice-surface thinning such that they are in agreement. Marine stratigraphic and geophysical evidence indicates that the ice stream was grounded close to the continental shelf edge at the Last Glacial Maximum, and retreated rapidly and nonlinearly after 14.8 ka. Cosmogenic nuclide exposure dating on Ubekendt Island at the convergence zone of multiple feeder ice streams show that the ice surface thinned progressively and that the island became ice-free by ca. 12.4 ka. The ice stream then collapsed over the next 1-1.6 kyrs and the ice stream separated into a series of distinct inland arms. In the northernmost Rinks system, there is a 'staircase' of evidence showing ice surface thinning over time, but it is unclear where the grounding line was located during this phase of thinning. Furthermore, it is currently unclear what controlled the nonlinear retreat pattern identified in the Uummannaq system. We develop a numerical model of ice-stream retreat using the marine geophysical data and measurements of sediment strength on the continental shelf to control the boundary conditions. The model has the capability to dynamically and robustly simulate grounding line-retreat behaviour over millennial timescales. We simulate the retreat of the UIS grounding line into the northernmost Rinks system in response to enhanced ocean warming, rising sea level and warming climate. We compare the simulated dynamic behaviour of the UIS against the geomorphological and cosmogenic exposure evidence for ice surface thinning onshore and against dated marine grounding line positions. Our model results enable us to match grounding-line positions in

  18. Hybrid schemes based on quantum mechanics/molecular mechanics simulations goals to success, problems, and perspectives.

    PubMed

    Ferrer, Silvia; Ruiz-Pernía, Javier; Martí, Sergio; Moliner, Vicent; Tuñón, Iñaki; Bertrán, Juan; Andrés, Juan

    2011-01-01

    active site can be optimized to improve the transition state analogues (TSA) and to enhance the catalytic activity, even improve the active site to favor a desired direction of some promiscuous enzymes. In this chapter, we give a brief introduction, the state of the art, and future prospects and implications of enzyme design. Current computational tools to assist experimentalists for the design and engineering of proteins with desired catalytic properties are described. The interplay between enzyme design, molecular simulations, and experiments will be presented to emphasize the interdisciplinary nature of this research field. This text highlights the recent advances and examples selected from our laboratory are shown, of how the applications of these tools are a first attempt to de novo design of protein active sites. Identification of neutral/advantageous/deleterious mutation platforms can be exploited to penetrate some of Nature's closely guarded secrets of chemical reactivity. In this chapter, we give a brief introduction, the state of the art, and future prospects and implications of enzyme design. The first part describes briefly how the molecular modeling is carried out. Then, we discuss the requirements of hybrid quantum mechanical/molecular mechanics molecular dynamics (QM/MM MD) simulations, analyzing what are the basis of these theoretical methodologies, how we can use them with a view to its application in the study of enzyme catalysis, and what are the best methodologies for assessing its catalytic potential. In the second part, we focus on some selected examples, taking as a common guide the chorismate to prephenate rearrangement, studying the corresponding molecular mechanism in vacuo, in solution and in an enzyme environment. In addition, examples involving catalytic antibodies (CAs) and promiscuous enzymes will be presented. Finally, a special emphasis is made to provide some hints about the logical evolution that can be anticipated in this research

  19. Fast and Accurate Hybrid Stream PCRTMSOLAR Radiative Transfer Model for Reflected Solar Spectrum Simulation in the Cloudy Atmosphere

    NASA Technical Reports Server (NTRS)

    Yang, Qiguang; Liu, Xu; Wu, Wan; Kizer, Susan; Baize, Rosemary R.

    2016-01-01

    A hybrid stream PCRTM-SOLAR model has been proposed for fast and accurate radiative transfer simulation. It calculates the reflected solar (RS) radiances with a fast coarse way and then, with the help of a pre-saved matrix, transforms the results to obtain the desired high accurate RS spectrum. The methodology has been demonstrated with the hybrid stream discrete ordinate (HSDO) radiative transfer (RT) model. The HSDO method calculates the monochromatic radiances using a 4-stream discrete ordinate method, where only a small number of monochromatic radiances are simulated with both 4-stream and a larger N-stream (N = 16) discrete ordinate RT algorithm. The accuracy of the obtained channel radiance is comparable to the result from N-stream moderate resolution atmospheric transmission version 5 (MODTRAN5). The root-mean-square errors are usually less than 5x10(exp -4) mW/sq cm/sr/cm. The computational speed is three to four-orders of magnitude faster than the medium speed correlated-k option MODTRAN5. This method is very efficient to simulate thousands of RS spectra under multi-layer clouds/aerosols and solar radiation conditions for climate change study and numerical weather prediction applications.

  20. Monte Carlo simulation of simultaneous radiation detection in the hybrid tomography system ClearPET-XPAD3/CT

    NASA Astrophysics Data System (ADS)

    Dávila, H. Olaya; Sevilla, A. C.; Castro, H. F.; Martínez, S. A.

    2016-07-01

    Using the Geant4 based simulation framework SciFW1, a detailed simulation was performed for a detector array in the hybrid tomography prototype for small animals called ClearPET / XPAD, which was built in the Centre de Physique des Particules de Marseille. The detector system consists of an array of phoswich scintillation detectors: LSO (Lutetium Oxy-ortosilicate doped with cerium Lu2SiO5:Ce) and LuYAP (Lutetium Ortoaluminate of Yttrium doped with cerium Lu0.7Y0.3AlO3:Ce) for Positron Emission Tomography (PET) and hybrid pixel detector XPAD for Computed Tomography (CT). Simultaneous acquisition of deposited energy and the corresponding time - position for each recorded event were analyzed, independently, for both detectors. interference between detection modules for PET and CT. Information about amount of radiation reaching each phoswich crystal and XPAD detector using a phantom in order to study the effectiveness by radiation attenuation and influence the positioning of the radioactive source 22Na was obtained. The simulation proposed will improve distribution of detectors rings and interference values will be taken into account in the new versions of detectors.

  1. A parallel hybrid numerical algorithm for simulating gas flow and gas discharge of an atmospheric-pressure plasma jet

    NASA Astrophysics Data System (ADS)

    Lin, K.-M.; Hu, M.-H.; Hung, C.-T.; Wu, J.-S.; Hwang, F.-N.; Chen, Y.-S.; Cheng, G.

    2012-12-01

    Development of a hybrid numerical algorithm which couples weakly with the gas flow model (GFM) and the plasma fluid model (PFM) for simulating an atmospheric-pressure plasma jet (APPJ) and its acceleration by two approaches is presented. The weak coupling between gas flow and discharge is introduced by transferring between the results obtained from the steady-state solution of the GFM and cycle-averaged solution of the PFM respectively. Approaches of reducing the overall runtime include parallel computing of the GFM and the PFM solvers, and employing a temporal multi-scale method (TMSM) for PFM. Parallel computing of both solvers is realized using the domain decomposition method with the message passing interface (MPI) on distributed-memory machines. The TMSM considers only chemical reactions by ignoring the transport terms when integrating temporally the continuity equations of heavy species at each time step, and then the transport terms are restored only at an interval of time marching steps. The total reduction of runtime is 47% by applying the TMSM to the APPJ example presented in this study. Application of the proposed hybrid algorithm is demonstrated by simulating a parallel-plate helium APPJ impinging onto a substrate, which the cycle-averaged properties of the 200th cycle are presented. The distribution patterns of species densities are strongly correlated by the background gas flow pattern, which shows that consideration of gas flow in APPJ simulations is critical.

  2. Simulation and optimum design of hybrid solar-wind and solar-wind-diesel power generation systems

    NASA Astrophysics Data System (ADS)

    Zhou, Wei

    optimal sizing method was developed to find the system optimum configuration and settings that can achieve the custom-required Renewable Energy Fraction (fRE) of the system with minimum Annualized Cost of System (ACS). Du to the need for optimum design of the hybrid systems, an analysis of local weather conditions (solar radiation and wind speed) was carried out for the potential installation site, and mathematical simulation of the hybrid systems' components was also carried out including PV array, wind turbine and battery bank. By statistically analyzing the long-term hourly solar and wind speed data, Hong Kong area is found to have favorite solar and wind power resources compared with other areas, which validates the practical applications in Hong Kong and Guangdong area. Simulation of PV array performance includes three main parts: modeling of the maximum power output of the PV array, calculation of the total solar radiation on any tilted surface with any orientations, and PV module temperature predictions. Five parameters are introduced to account for the complex dependence of PV array performance upon solar radiation intensities and PV module temperatures. The developed simulation model was validated by using the field-measured data from one existing building-integrated photovoltaic system (BIPV) in Hong Kong, and good simulation performance of the model was achieved. Lead-acid batteries used in hybrid systems operate under very specific conditions, which often cause difficulties to predict when energy will be extracted from or supplied to the battery. In this thesis, the lead-acid battery performance is simulated by three different characteristics: battery state of charge (SOC), battery floating charge voltage and the expected battery lifetime. Good agreements were found between the predicted values and the field-measured data of a hybrid solar-wind project. At last, one 19.8kW hybrid solar-wind power generation project, designed by the optimal sizing method and

  3. The stability of 1-D soliton in transverse direction

    NASA Astrophysics Data System (ADS)

    Verma, Deepa; Bera, Ratan Kumar; Das, Amita; Kaw, Predhiman

    2016-12-01

    The complete characterization of the exact 1-D solitary wave solutions (both stationary and propagating) for light plasma coupled system have been studied extensively in the parameter space of light frequency and the group speed [Poornakala et al., Phys. Plasmas 9(5), 1820 (2002)]. It has been shown in 1-D that solutions with single light wave peak and paired structures are stable and hence long lived. However, solutions having multiple peaks of light wave are unstable due to Raman scattering instability [Saxena et al., Phys. Plasmas 14, 072307 (2007)]. Here, we have shown with the help of 2-D fluid simulation that single peak and paired solutions too get destabilized by the transverse filamentation instability. The numerical growth rates obtained from simulations is seen to compare well with the analytical values. It is also shown that multiple peaks solitons first undergo the regular 1-D forward Raman scattering instability. Subsequently, they undergo a distinct second phase of destabilization through transverse filamentation instability. This is evident from the structure as well as the plot of the perturbed energy which shows a second phase of growth after saturating initially. The growth rate of the filamentation instability being comparatively slower than the forward Raman instability this phase comes quite late and is clearly distinguishable.

  4. ARTEMIS observations of lunar wake structure compared with hybrid ­kinetic simulations and an analytic model

    NASA Astrophysics Data System (ADS)

    Gharaee, H.; Rankin, R.; Marchand, R.; Paral, J.

    2014-12-01

    The ARTEMIS mission has made extensive measurements on the density and magnetic field structure of the lunar wake under different solar wind and magnetosphere conditions. Hybrid-kinetic simulations of the lunar wake have been found to be generally in good agreement with observations [Wiehle, S., et al., Planet. Space Sci., 2011], but are not readily available as they require access to large computers and human resources with expertise using this technology. It would be very useful to have an analytic model of the lunar wake, and one such model will be presented. It is based on an approach outlined by Hutchinson [Hutchinson, I., Physics Of Plasmas, 2008], and makes assumptions of cylindrical geometry, a strong and constant magnetic field, and fixed transverse velocity and temperature. Under these approximations the ion fluid equations (with massless electrons assumed) can be solved analytically by the method of characteristics. This paper demonstrates that the analytic model under these assumptions provides excellent agreement with observations and hybrid-kinetic simulations of the lunar wake. The approach outlined by Hutchinson is generalized to include an arbitrary angle between the interplanetary magnetic field and solar wind flow. This results in two angle-dependent characteristics for the fluid flow that can be solved for the density inside the wake region. The Density profiles for different orientations of magnetic field with respect to solar wind flow are in a good qualitative agreement with 2D Hybrid simulation results of the model developed by [Paral and Rankin, Nature Comms, 2012], and with ARTEMIS observations. Refrences, -Wiehle, S., et al. (2011), First Lunar wake passage of Artemis: Discrimination of wake effects and solar wind flactuations by 3D hybrid simulations, Planet. Space Sci., 59, 661-671, doi:10.1016/j.pss.2011.01.012. -Hutchinson, I. (2008),Oblique ion collection in the drift approximation:How magnetized Mach probes really work, Physics Of

  5. Fabrication of a TiO2@porphyrin nanofiber hybrid material: a highly efficient photocatalyst under simulated sunlight irradiation

    NASA Astrophysics Data System (ADS)

    La, Duong Duc; Rananaware, Anushri; Phuong Nguyen Thi, Hoai; Jones, Lathe; Bhosale, Sheshanath V.

    2017-03-01

    The solar spectrum consists of 8% UV radiation, while 45% of solar energy is from visible light. It is therefore desirable to fabricate a hybrid material which is able to harvest energy from a wide range of photons from the sun for applications such as solar cells, photovoltaics, and photocatalysis. In this study we report on the fabrication of a TiO2@porphyrin hybrid material by surfactant-assisted co-assembly of monomeric porphyrin molecules with TiO2 nanoparticles. The obtained TiO2@porphyrin composite shows excellent integration of TiO2 particles with diameters of 15–30 nm into aggregated porphyrin nanofibers, which have a width of 70–90 nm and are several µm long. SEM, XPS, XRD, FTIR, UV–Vis and fluorescence spectroscopy were employed to characterize the TiO2@TCPP hybrid material. This material exhibits efficient photocatalytic performance under simulated sunlight, due to synergistic photocatalytic activities of the porphyrin aggregates in visible light and TiO2 particles in the UV region. A plausible mechanism for photocatalytic degradation is also proposed and discussed.

  6. Experimental evaluation of hybrid vehicle fuel economy and pollutant emissions over real-world simulation driving cycles

    NASA Astrophysics Data System (ADS)

    Fontaras, Georgios; Pistikopoulos, Panayotis; Samaras, Zissis

    2008-06-01

    The reduction of transport-generated CO2 emissions is currently a problem of global interest. Hybrid electric vehicles (HEVs) are considered as one promising technological solution for limiting transport-generated greenhouse gas emissions. Currently, the number of HEVs in the market remains limited, but this picture will change in the years to come as HEVs are expected to pave the way for cleaner technologies in transport. In this paper, results are presented regarding fuel economy and pollutant emissions measurements of two hybrid electric production vehicles. The measurements were conducted on a Prius II and a Honda Civic IMA using both the European legislated driving cycle (New European Driving Cycle, NEDC) and real-world simulation driving cycles (Artemis). In addition to the emissions measurements, other vehicle-operating parameters were studied in an effort to better quantify the maximum CO2 reduction potential. Data from real-world operation of a Prius II vehicle were also used in the evaluation. Results indicate that in most cases both vehicles present improved energy efficiency and pollutant emissions compared to conventional cars. The fuel economy benefit of the two HEVs peaked under urban driving conditions where reductions of 60% and 40% were observed, respectively. Over higher speeds the difference in fuel economy was lower, reaching that of conventional diesel at 95 km h-1. The effect of ambient temperature on fuel consumption was also quantified. It is concluded that urban operation benefits the most of hybrid technology, leading to important fuel savings and urban air quality improvement.

  7. Acoustic force mapping in a hybrid acoustic-optical micromanipulation device supporting high resolution optical imaging† †Electronic supplementary information (ESI) available: Additional information about 1D model calculations for a piezoelectric transducer. See DOI: 10.1039/c6lc00182c Click here for additional data file.

    PubMed Central

    McDougall, Craig; MacDonald, Michael Peter; Ritsch-Marte, Monika

    2016-01-01

    Many applications in the life-sciences demand non-contact manipulation tools for forceful but nevertheless delicate handling of various types of sample. Moreover, the system should support high-resolution optical imaging. Here we present a hybrid acoustic/optical manipulation system which utilizes a transparent transducer, making it compatible with high-NA imaging in a microfluidic environment. The powerful acoustic trapping within a layered resonator, which is suitable for highly parallel particle handling, is complemented by the flexibility and selectivity of holographic optical tweezers, with the specimens being under high quality optical monitoring at all times. The dual acoustic/optical nature of the system lends itself to optically measure the exact acoustic force map, by means of direct force measurements on an optically trapped particle. For applications with (ultra-)high demand on the precision of the force measurements, the position of the objective used for the high-NA imaging may have significant influence on the acoustic force map in the probe chamber. We have characterized this influence experimentally and the findings were confirmed by model simulations. We show that it is possible to design the chamber and to choose the operating point in such a way as to avoid perturbations due to the objective lens. Moreover, we found that measuring the electrical impedance of the transducer provides an easy indicator for the acoustic resonances. PMID:27025398

  8. Power and Energy Computational Models for the Design and Simulation of Hybrid-Electric Combat Vehicles

    DTIC Science & Technology

    2005-03-14

    sensors. • Battery Bank - The battery bank sets the bus voltage for the SIL and is also used to provide load leveling for acceleration, hill climb...International AECV Conference, September 1999. 2. An, F., Stodolsky, F., Vyas , A., Cuenca, R., and Eberhardt, J.J., ’Scenario Analysis of Hybrid Class 3-7

  9. Generation of ion temperature anisotropy in kinetic hybrid-Vlasov simulations (Invited)

    NASA Astrophysics Data System (ADS)

    Perrone, D.; Valentini, F.; Servidio, S.; Dalena, S.; Veltri, P.

    2013-12-01

    The interplanetary medium is a multi-component and weakly collisional system generally observed to be in a fully turbulent regime [1,2]. The system dynamics at short spatial scales appears to be dominated by kinetic effects that drive the interstellar gas far from the configuration of thermodynamic equilibrium [3-5]. We present a numerical analysis of a turbulent plasma composed of kinetic ions (protons and alpha particles) and fluid electrons in the typical conditions of the solar-wind environment, developed by using a low-noise hybrid Vlasov-Maxwell code [6,7] in a five dimensional phase space configuration (two dimensions in physical space and three dimensions in velocity space) [8]. The ion dynamics at short spatial scales (shorter than the proton skin depth) display several interesting aspects, mainly consisting in the departure of the distribution functions from the typical Maxwellian configuration, which has been systematically quantified through the evalutation of the temperature anisotropy ratio (perpendicular to parallel temperature ratio) with respect to the local magnetic field. This temperature anisotropy appears to be a direct effect of the turbulent nature of the system dynamics. Moreover, the turbulent activity leads to the generation of coherent structures, such as vortices and current sheets. Conditioned ion temperature distributions suggest heating associated with coherent structures; the distribution of ion temperatures moves towards higher values with increasing PVI threshold for the upper inertial range in the turbulent spectra. This behavior is more evident for alpha particles than for protons. The physical phenomenology recovered in these numerical simulations reproduces very common features recovered in 'in situ' measurements in the turbulent solar wind [9-11], suggesting that the multi-ion Vlasov model represents a valid approach to the understanding of the nature of complex kinetic effects in astrophysical plasmas. [1] R. Bruno and V

  10. A Model-Based Approach for Bridging Virtual and Physical Sensor Nodes in a Hybrid Simulation Framework

    PubMed Central

    Mozumdar, Mohammad; Song, Zhen Yu; Lavagno, Luciano; Sangiovanni-Vincentelli, Alberto L.

    2014-01-01

    The Model Based Design (MBD) approach is a popular trend to speed up application development of embedded systems, which uses high-level abstractions to capture functional requirements in an executable manner, and which automates implementation code generation. Wireless Sensor Networks (WSNs) are an emerging very promising application area for embedded systems. However, there is a lack of tools in this area, which would allow an application developer to model a WSN application by using high level abstractions, simulate it mapped to a multi-node scenario for functional analysis, and finally use the refined model to automatically generate code for different WSN platforms. Motivated by this idea, in this paper we present a hybrid simulation framework that not only follows the MBD approach for WSN application development, but also interconnects a simulated sub-network with a physical sub-network and then allows one to co-simulate them, which is also known as Hardware-In-the-Loop (HIL) simulation. PMID:24960083

  11. Hybrid large-eddy simulation/Reynolds-averaged Navier-Stokes methods and predictions for various high-speed flows

    NASA Astrophysics Data System (ADS)

    Boles, John A.

    Hybrid Large Eddy Simulation/Reynolds-Averaged Navier-Stokes (LES/RANS) simulations of several high-speed flows are presented in this work. The solver blends a Menter BSL two-equation model for the RANS part of the closure with a Smagorisnky sub-grid model for the LES component. The solver uses a flow-dependent blending function based on wall distance and a modeled form of the Taylor micro-scale to transition from RANS to LES. Turbulent fluctuations are initiated and are sustained in the inflow region using a recycling/rescaling technique. A new multi-wall recycling/rescaling technique is described and tested. A spanwise-shifting method is introduced that is intended to alleviate unphysical streamwise streaks of high- and low-momentum fluid that appear in the time-averaged solution due to the recycling procedure. Simulations of sonic injection of air, helium and ethylene into a Mach 2 crossflow of air are performed. Also, simulations of Mach 5 flow in a subscale inlet/isolator configuration with and without back-pressuring are performed. Finally, a Mach 3.9 flow through a square duct is used as an initial test case for the new multi-wall recycling and rescaling method as well as a multi-wall shifting procedure. A discussion of the methods, implementation and results of these simulations is included.

  12. Modeling and simulation with Hybrid Functional Petri Nets of the role of interleukin-6 in human early haematopoiesis.

    PubMed

    Troncale, Sylvie; Tahi, Fariza; Campard, David; Vannier, Jean-Pierre; Guespin, Janine

    2006-01-01

    The regulation of human haematopoiesis is a complex biological system with numerous interdependent processes. In vivo Haematopoietic Stem Cells (HSCs) self-renew so as to maintain a constant pool of these cells. It would be very interesting to maintain these cells in vitro, in view of their therapeutical importance. Unfortunately, there is currently no known process to activate HSCs self-renewal in vitro. Since the difficulties related to in vitro experiments, modeling and simulating this process is indispensable. Moreover, the complexity of haematopoiesis makes it necessary to integrate various functionalities: both discrete and continuous models as well as consumption and production of resources. We thus focus on the use of Hybrid Functional Petri Nets, which offer a number of features and flexibility. We begin by modeling and simulating the role of a specific cytokine, interleukin-6, in the regulation of early haematopoiesis. Results obtained in silico lead to the disappearence of HSCs, which is in agreement with in vitro results.

  13. Quantum and semi-classical transport in RTDs using NEMO 1-D

    NASA Technical Reports Server (NTRS)

    Klimeck, G.; Stout, P.; Bowen, R. C.

    2003-01-01

    NEMO 1-D has been developed primarily for the simulation of resonant tunneling diodes, and quantitative and predictive agreements with experimental high performance, high current density devices have been achieved in the past.

  14. Recognition of RNA by amide modified backbone nucleic acids: molecular dynamics simulations of DNA-RNA hybrids in aqueous solution.

    PubMed

    Nina, Mafalda; Fonné-Pfister, Raymonde; Beaudegnies, Renaud; Chekatt, Habiba; Jung, Pierre M J; Murphy-Kessabi, Fiona; De Mesmaeker, Alain; Wendeborn, Sebastian

    2005-04-27

    Thermodynamic and structural properties of a chemically modified DNA-RNA hybrid in which a phosphodiester linkage is replaced by a neutral amide-3 linkage (3'-CH(2)-CONH-5') were investigated using UV melting experiments, molecular dynamics simulations in explicit water, and continuum solvent models. van't Hoff analysis of the experimental UV melting curves suggests that the significant increase of the thermodynamic stability of a 15-mer DNA-RNA with seven alternated amide-3 modifications (+11 degrees C) is mainly due to an increased binding enthalpy. To further evaluate the origin in the observed affinities differences, the electrostatic contribution to the binding free energy was calculated by solving the Poisson-Boltzmann equation numerically. The nonelectrostatic contribution was estimated as the product of a hydrophobic surface tension coefficient and the surface area that is buried upon double strand formation. Structures were taken from 10 ns molecular dynamics simulations computed in a consistent fashion using explicit solvent, counterions, and the particle-mesh Ewald procedure. The present preliminary thermodynamic study suggests that the favorable binding free energy of the amide-3 DNA single strand to the complementary RNA is equally driven by electrostatic and nonpolar contributions to the binding compared to their natural analogues. In addition, molecular dynamics simulations in explicit water were performed on an amide-3 DNA single strand and the corresponding natural DNA. Results from the conformations cluster analysis of the simulated amide-3 DNA single strand ensembles suggest that the 25% of the population sampled within 10 ns has a pre-organized conformation where the sugar C3' endo pucker is favored at the 3'-flanking nucleotides. These structural and thermodynamic features contribute to the understanding of the observed increased affinities of the amide-3 DNA-RNA hybrids at the microscopic level.

  15. Particle simulations of mode conversion between slow mode and fast mode in lower hybrid range of frequencies

    SciTech Connect

    Jia, Guozhang; Xiang, Nong; Huang, Yueheng; Wang, Xueyi; Lin, Yu

    2016-01-15

    The propagation and mode conversion of lower hybrid waves in an inhomogeneous plasma are investigated by using the nonlinear δf algorithm in a two-dimensional particle-in-cell simulation code based on the gyrokinetic electron and fully kinetic ion (GeFi) scheme [Lin et al., Plasma Phys. Controlled Fusion 47, 657 (2005)]. The characteristics of the simulated waves, such as wavelength, frequency, phase, and group velocities, agree well with the linear theoretical analysis. It is shown that a significant reflection component emerges in the conversion process between the slow mode and the fast mode when the scale length of the density variation is comparable to the local wavelength. The dependences of the reflection coefficient on the scale length of the density variation are compared with the results based on the linear full wave model for cold plasmas. It is indicated that the mode conversion for the waves with a frequency of 2.45 GHz (ω ∼ 3ω{sub LH}, where ω{sub LH} represents the lower hybrid resonance) and within Tokamak relevant amplitudes can be well described in the linear scheme. As the frequency decreases, the modification due to the nonlinear term becomes important. For the low-frequency waves (ω ∼ 1.3ω{sub LH}), the generations of the high harmonic modes and sidebands through nonlinear mode-mode coupling provide new power channels and thus could reduce the reflection significantly.

  16. Particle simulations of mode conversion between slow mode and fast mode in lower hybrid range of frequencies

    NASA Astrophysics Data System (ADS)

    Jia, Guozhang; Xiang, Nong; Wang, Xueyi; Huang, Yueheng; Lin, Yu

    2016-01-01

    The propagation and mode conversion of lower hybrid waves in an inhomogeneous plasma are investigated by using the nonlinear δf algorithm in a two-dimensional particle-in-cell simulation code based on the gyrokinetic electron and fully kinetic ion (GeFi) scheme [Lin et al., Plasma Phys. Controlled Fusion 47, 657 (2005)]. The characteristics of the simulated waves, such as wavelength, frequency, phase, and group velocities, agree well with the linear theoretical analysis. It is shown that a significant reflection component emerges in the conversion process between the slow mode and the fast mode when the scale length of the density variation is comparable to the local wavelength. The dependences of the reflection coefficient on the scale length of the density variation are compared with the results based on the linear full wave model for cold plasmas. It is indicated that the mode conversion for the waves with a frequency of 2.45 GHz (ω ˜ 3ωLH, where ωLH represents the lower hybrid resonance) and within Tokamak relevant amplitudes can be well described in the linear scheme. As the frequency decreases, the modification due to the nonlinear term becomes important. For the low-frequency waves (ω ˜ 1.3ωLH), the generations of the high harmonic modes and sidebands through nonlinear mode-mode coupling provide new power channels and thus could reduce the reflection significantly.