Computational plasticity algorithm for particle dynamics simulations
Krabbenhoft, K.; Lyamin, A. V.; Vignes, C.
2018-01-01
The problem of particle dynamics simulation is interpreted in the framework of computational plasticity leading to an algorithm which is mathematically indistinguishable from the common implicit scheme widely used in the finite element analysis of elastoplastic boundary value problems. This algorithm provides somewhat of a unification of two particle methods, the discrete element method and the contact dynamics method, which usually are thought of as being quite disparate. In particular, it is shown that the former appears as the special case where the time stepping is explicit while the use of implicit time stepping leads to the kind of schemes usually labelled contact dynamics methods. The framing of particle dynamics simulation within computational plasticity paves the way for new approaches similar (or identical) to those frequently employed in nonlinear finite element analysis. These include mixed implicit-explicit time stepping, dynamic relaxation and domain decomposition schemes.
Hydrodynamics in adaptive resolution particle simulations: Multiparticle collision dynamics
Energy Technology Data Exchange (ETDEWEB)
Alekseeva, Uliana, E-mail: Alekseeva@itc.rwth-aachen.de [Jülich Supercomputing Centre (JSC), Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); German Research School for Simulation Sciences (GRS), Forschungszentrum Jülich, D-52425 Jülich (Germany); Winkler, Roland G., E-mail: r.winkler@fz-juelich.de [Theoretical Soft Matter and Biophysics, Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); Sutmann, Godehard, E-mail: g.sutmann@fz-juelich.de [Jülich Supercomputing Centre (JSC), Institute for Advanced Simulation (IAS), Forschungszentrum Jülich, D-52425 Jülich (Germany); ICAMS, Ruhr-University Bochum, D-44801 Bochum (Germany)
2016-06-01
A new adaptive resolution technique for particle-based multi-level simulations of fluids is presented. In the approach, the representation of fluid and solvent particles is changed on the fly between an atomistic and a coarse-grained description. The present approach is based on a hybrid coupling of the multiparticle collision dynamics (MPC) method and molecular dynamics (MD), thereby coupling stochastic and deterministic particle-based methods. Hydrodynamics is examined by calculating velocity and current correlation functions for various mixed and coupled systems. We demonstrate that hydrodynamic properties of the mixed fluid are conserved by a suitable coupling of the two particle methods, and that the simulation results agree well with theoretical expectations.
Dynamic Simulation of Random Packing of Polydispersive Fine Particles
Ferraz, Carlos Handrey Araujo; Marques, Samuel Apolinário
2018-02-01
In this paper, we perform molecular dynamic (MD) simulations to study the two-dimensional packing process of both monosized and random size particles with radii ranging from 1.0 to 7.0 μm. The initial positions as well as the radii of five thousand fine particles were defined inside a rectangular box by using a random number generator. Both the translational and rotational movements of each particle were considered in the simulations. In order to deal with interacting fine particles, we take into account both the contact forces and the long-range dispersive forces. We account for normal and static/sliding tangential friction forces between particles and between particle and wall by means of a linear model approach, while the long-range dispersive forces are computed by using a Lennard-Jones-like potential. The packing processes were studied assuming different long-range interaction strengths. We carry out statistical calculations of the different quantities studied such as packing density, mean coordination number, kinetic energy, and radial distribution function as the system evolves over time. We find that the long-range dispersive forces can strongly influence the packing process dynamics as they might form large particle clusters, depending on the intensity of the long-range interaction strength.
Particle beam dynamics simulations using the POOMA framework
International Nuclear Information System (INIS)
Humphrey, W.; Ryne, R.; Cleland, T.; Cummings, J.; Habib, S.; Mark, G.; Ji Qiang
1998-01-01
A program for simulation of the dynamics of high intensity charged particle beams in linear particle accelerators has been developed in C++ using the POOMA Framework, for use on serial and parallel architectures. The code models the trajectories of charged particles through a sequence of different accelerator beamline elements such as drift chambers, quadrupole magnets, or RF cavities. An FFT-based particle-in-cell algorithm is used to solve the Poisson equation that models the Coulomb interactions of the particles. The code employs an object-oriented design with software abstractions for the particle beam, accelerator beamline, and beamline elements, using C++ templates to efficiently support both 2D and 3D capabilities in the same code base. The POOMA Framework, which encapsulates much of the effort required for parallel execution, provides particle and field classes, particle-field interaction capabilities, and parallel FFT algorithms. The performance of this application running serially and in parallel is compared to an existing HPF implementation, with the POOMA version seen to run four times faster than the HPF code
Micellar polymerization: Computer simulations by dissipative particle dynamics.
Shupanov, Ruslan; Chertovich, Alexander; Kos, Pavel
2018-07-15
Nowadays, micellar polymerization is widely used in different fields of industry and research, including modern living polymerization technique. However, this process has many variables and there is no comprehensive model to describe all features. This research presents simulation methodology which describes key properties of such reactions to take a guide through a variety of their modifications. Dissipative particle dynamics is used in addition to Monte Carlo scheme to simulate initiation, propagation, and termination events. Influence of initiation probability and different termination processes on final conversion and molecular-weight distribution are presented. We demonstrate that prolonged initiation leads to increasing in polymer average molecular weight, and surface termination events play major role in conversion limitation, in comparison with recombination. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.
Dissipative particle dynamics simulations for biological tissues: rheology and competition
International Nuclear Information System (INIS)
Basan, Markus; Prost, Jacques; Joanny, Jean-François; Elgeti, Jens
2011-01-01
In this work, we model biological tissues using a simple, mechanistic simulation based on dissipative particle dynamics. We investigate the continuum behavior of the simulated tissue and determine its dependence on the properties of the individual cell. Cells in our simulation adhere to each other, expand in volume, divide after reaching a specific size checkpoint and undergo apoptosis at a constant rate, leading to a steady-state homeostatic pressure in the tissue. We measure the dependence of the homeostatic state on the microscopic parameters of our model and show that homeostatic pressure, rather than the unconfined rate of cell division, determines the outcome of tissue competitions. Simulated cell aggregates are cohesive and round up due to the effect of tissue surface tension, which we measure for different tissues. Furthermore, mixtures of different cells unmix according to their adhesive properties. Using a variety of shear and creep simulations, we study tissue rheology by measuring yield stresses, shear viscosities, complex viscosities as well as the loss tangents as a function of model parameters. We find that cell division and apoptosis lead to a vanishing yield stress and fluid-like tissues. The effects of different adhesion strengths and levels of noise on the rheology of the tissue are also measured. In addition, we find that the level of cell division and apoptosis drives the diffusion of cells in the tissue. Finally, we present a method for measuring the compressibility of the tissue and its response to external stress via cell division and apoptosis
Bolhuis, Peter
Important reaction-diffusion processes, such as biochemical networks in living cells, or self-assembling soft matter, span many orders in length and time scales. In these systems, the reactants' spatial dynamics at mesoscopic length and time scales of microns and seconds is coupled to the reactions between the molecules at microscopic length and time scales of nanometers and milliseconds. This wide range of length and time scales makes these systems notoriously difficult to simulate. While mean-field rate equations cannot describe such processes, the mesoscopic Green's Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. The recently developed multiscale Molecular Dynamics Green's Function Reaction Dynamics (MD-GFRD) approach combines GFRD for simulating the system at the mesocopic scale where particles are far apart, with microscopic Molecular (or Brownian) Dynamics, for simulating the system at the microscopic scale where reactants are in close proximity. The association and dissociation of particles are treated with rare event path sampling techniques. I will illustrate the efficiency of this method for patchy particle systems. Replacing the microscopic regime with a Markov State Model avoids the microscopic regime completely. The MSM is then pre-computed using advanced path-sampling techniques such as multistate transition interface sampling. I illustrate this approach on patchy particle systems that show multiple modes of binding. MD-GFRD is generic, and can be used to efficiently simulate reaction-diffusion systems at the particle level, including the orientational dynamics, opening up the possibility for large-scale simulations of e.g. protein signaling networks.
A particle based simulation model for glacier dynamics
Directory of Open Access Journals (Sweden)
J. A. Åström
2013-10-01
Full Text Available A particle-based computer simulation model was developed for investigating the dynamics of glaciers. In the model, large ice bodies are made of discrete elastic particles which are bound together by massless elastic beams. These beams can break, which induces brittle behaviour. At loads below fracture, beams may also break and reform with small probabilities to incorporate slowly deforming viscous behaviour in the model. This model has the advantage that it can simulate important physical processes such as ice calving and fracturing in a more realistic way than traditional continuum models. For benchmarking purposes the deformation of an ice block on a slip-free surface was compared to that of a similar block simulated with a Finite Element full-Stokes continuum model. Two simulations were performed: (1 calving of an ice block partially supported in water, similar to a grounded marine glacier terminus, and (2 fracturing of an ice block on an inclined plane of varying basal friction, which could represent transition to fast flow or surging. Despite several approximations, including restriction to two-dimensions and simplified water-ice interaction, the model was able to reproduce the size distributions of the debris observed in calving, which may be approximated by universal scaling laws. On a moderate slope, a large ice block was stable and quiescent as long as there was enough of friction against the substrate. For a critical length of frictional contact, global sliding began, and the model block disintegrated in a manner suggestive of a surging glacier. In this case the fragment size distribution produced was typical of a grinding process.
Investigating the settling dynamics of cohesive silt particles with particle-resolving simulations
Sun, Rui; Xiao, Heng; Sun, Honglei
2018-01-01
The settling of cohesive sediment is ubiquitous in aquatic environments, and the study of the settling process is important for both engineering and environmental reasons. In the settling process, the silt particles show behaviors that are different from non-cohesive particles due to the influence of inter-particle cohesive force. For instance, the flocs formed in the settling process of cohesive silt can loosen the packing, and thus the structural densities of cohesive silt beds are much smaller than that of non-cohesive sand beds. While there is a consensus that cohesive behaviors depend on the characteristics of sediment particles (e.g., Bond number, particle size distribution), little is known about the exact influence of these characteristics on the cohesive behaviors. In addition, since the cohesive behaviors of the silt are caused by the inter-particle cohesive forces, the motions of and the contacts among silt particles should be resolved to study these cohesive behaviors in the settling process. However, studies of the cohesive behaviors of silt particles in the settling process based on particle-resolving approach are still lacking. In the present work, three-dimensional settling process is investigated numerically by using CFD-DEM (Computational Fluid Dynamics-Discrete Element Method). The inter-particle collision force, the van der Waals force, and the fluid-particle interaction forces are considered. The numerical model is used to simulate the hindered settling process of silt based on the experimental setup in the literature. The results obtained in the simulations, including the structural densities of the beds, the characteristic lines, and the particle terminal velocity, are in good agreement with the experimental observations in the literature. To the authors' knowledge, this is the first time that the influences of non-dimensional Bond number and particle polydispersity on the structural densities of silt beds have been investigated separately
International Nuclear Information System (INIS)
Phillips, Carolyn L.; Anderson, Joshua A.; Glotzer, Sharon C.
2011-01-01
Highlights: → Molecular Dynamics codes implemented on GPUs have achieved two-order of magnitude computational accelerations. → Brownian Dynamics and Dissipative Particle Dynamics simulations require a large number of random numbers per time step. → We introduce a method for generating small batches of pseudorandom numbers distributed over many threads of calculations. → With this method, Dissipative Particle Dynamics is implemented on a GPU device without requiring thread-to-thread communication. - Abstract: Brownian Dynamics (BD), also known as Langevin Dynamics, and Dissipative Particle Dynamics (DPD) are implicit solvent methods commonly used in models of soft matter and biomolecular systems. The interaction of the numerous solvent particles with larger particles is coarse-grained as a Langevin thermostat is applied to individual particles or to particle pairs. The Langevin thermostat requires a pseudo-random number generator (PRNG) to generate the stochastic force applied to each particle or pair of neighboring particles during each time step in the integration of Newton's equations of motion. In a Single-Instruction-Multiple-Thread (SIMT) GPU parallel computing environment, small batches of random numbers must be generated over thousands of threads and millions of kernel calls. In this communication we introduce a one-PRNG-per-kernel-call-per-thread scheme, in which a micro-stream of pseudorandom numbers is generated in each thread and kernel call. These high quality, statistically robust micro-streams require no global memory for state storage, are more computationally efficient than other PRNG schemes in memory-bound kernels, and uniquely enable the DPD simulation method without requiring communication between threads.
Towards better integrators for dissipative particle dynamics simulations
DEFF Research Database (Denmark)
Besold, Gerhard; Vattulainen, Ilpo Tapio; Karttunen, Mikko
2000-01-01
Coarse-grained models that preserve hydrodynamics provide a natural approach to study collective properties of soft-matter systems. Here, we demonstrate that commonly used integration schemes in dissipative particle dynamics give rise to pronounced artifacts in physical quantities such as the com...
Phillips, Carolyn L.; Anderson, Joshua A.; Glotzer, Sharon C.
2011-08-01
Brownian Dynamics (BD), also known as Langevin Dynamics, and Dissipative Particle Dynamics (DPD) are implicit solvent methods commonly used in models of soft matter and biomolecular systems. The interaction of the numerous solvent particles with larger particles is coarse-grained as a Langevin thermostat is applied to individual particles or to particle pairs. The Langevin thermostat requires a pseudo-random number generator (PRNG) to generate the stochastic force applied to each particle or pair of neighboring particles during each time step in the integration of Newton's equations of motion. In a Single-Instruction-Multiple-Thread (SIMT) GPU parallel computing environment, small batches of random numbers must be generated over thousands of threads and millions of kernel calls. In this communication we introduce a one-PRNG-per-kernel-call-per-thread scheme, in which a micro-stream of pseudorandom numbers is generated in each thread and kernel call. These high quality, statistically robust micro-streams require no global memory for state storage, are more computationally efficient than other PRNG schemes in memory-bound kernels, and uniquely enable the DPD simulation method without requiring communication between threads.
Vijaykumar, Adithya; Ouldridge, Thomas E.; ten Wolde, Pieter Rein; Bolhuis, Peter G.
2017-03-01
The modeling of complex reaction-diffusion processes in, for instance, cellular biochemical networks or self-assembling soft matter can be tremendously sped up by employing a multiscale algorithm which combines the mesoscopic Green's Function Reaction Dynamics (GFRD) method with explicit stochastic Brownian, Langevin, or deterministic molecular dynamics to treat reactants at the microscopic scale [A. Vijaykumar, P. G. Bolhuis, and P. R. ten Wolde, J. Chem. Phys. 143, 214102 (2015)]. Here we extend this multiscale MD-GFRD approach to include the orientational dynamics that is crucial to describe the anisotropic interactions often prevalent in biomolecular systems. We present the novel algorithm focusing on Brownian dynamics only, although the methodology is generic. We illustrate the novel algorithm using a simple patchy particle model. After validation of the algorithm, we discuss its performance. The rotational Brownian dynamics MD-GFRD multiscale method will open up the possibility for large scale simulations of protein signalling networks.
Large shear deformation of particle gels studied by Brownian Dynamics simulations
Rzepiela, A.A.; Opheusden, van J.H.J.; Vliet, van T.
2004-01-01
Brownian Dynamics (BD) simulations have been performed to study structure and rheology of particle gels under large shear deformation. The model incorporates soft spherical particles, and reversible flexible bond formation. Two different methods of shear deformation are discussed, namely affine and
A mesoscopic simulation of static and dynamic wetting using many-body dissipative particle dynamics
Ghorbani, Najmeh; Pishevar, Ahmadreza
2018-01-01
A many-body dissipative particle dynamics simulation is applied here to pave the way for investigating the behavior of mesoscale droplets after impact on horizontal solid substrates. First, hydrophobic and hydrophilic substrates are simulated through tuning the solid-liquid interfacial interaction parameters of an innovative conservative force model. The static contact angles are calculated on homogeneous and several patterned surfaces and compared with the predicted values by the Cassie's law in order to verify the model. The results properly evaluate the amount of increase in surface superhydrophobicity as a result of surface patterning. Then drop impact phenomenon is studied by calculating the spreading factor and dimensionless height versus dimensionless time and the comparisons made between the results and the experimental values for three different static contact angles. The results show the capability of the procedure in calculating the amount of maximum spreading factor, which is a significant concept in ink-jet printing and coating process.
International Nuclear Information System (INIS)
Berkov, D.V.; Gorn, N.L.; Stock, D.
2007-01-01
For numerical studies of a ferrofluid dynamics we have developed a model which includes internal magnetic degrees of freedom of ferrofluid particles. Contrary to standard models, we take into account that the magnetocrystalline anisotropy of a ferrofluid particle material is finite, so that the particle moment is allowed to rotate with respect to the particle itself. Simulating magnetization relaxation of a ferrofluid after switching off the external field and comparing results with those obtained for rigid dipoles model, we demonstrate that for anisotropy typical for commonly used ferrofluid materials inclusion of 'magnetic' degrees of freedom is essential for a correct description of ferrofluid dynamics
International Nuclear Information System (INIS)
Liu Moubin; Meakin, Paul; Huang Hai
2007-01-01
Multiphase fluid motion in unsaturated fractures and fracture networks involves complicated fluid dynamics, which is difficult to model using grid-based continuum methods. In this paper, the application of dissipative particle dynamics (DPD), a relatively new mesoscale method to simulate fluid motion in unsaturated fractures is described. Unlike the conventional DPD method that employs a purely repulsive conservative (non-dissipative) particle-particle interaction to simulate the behavior of gases, we used conservative particle-particle interactions that combine short-range repulsive and long-range attractive interactions. This new conservative particle-particle interaction allows the behavior of multiphase systems consisting of gases, liquids and solids to be simulated. Our simulation results demonstrate that, for a fracture with flat parallel walls, the DPD method with the new interaction potential function is able to reproduce the hydrodynamic behavior of fully saturated flow, and various unsaturated flow modes including thin film flow, wetting and non-wetting flow. During simulations of flow through a fracture junction, the fracture junction can be fully or partially saturated depending on the wetting property of the fluid, the injection rate and the geometry of the fracture junction. Flow mode switching from a fully saturated flow to a thin film flow can also be observed in the fracture junction
Particle-in-Cell Code BEAMPATH for Beam Dynamics Simulations in Linear Accelerators and Beamlines
International Nuclear Information System (INIS)
Batygin, Y.
2004-01-01
A code library BEAMPATH for 2 - dimensional and 3 - dimensional space charge dominated beam dynamics study in linear particle accelerators and beam transport lines is developed. The program is used for particle-in-cell simulation of axial-symmetric, quadrupole-symmetric and z-uniform beams in a channel containing RF gaps, radio-frequency quadrupoles, multipole lenses, solenoids and bending magnets. The programming method includes hierarchical program design using program-independent modules and a flexible combination of modules to provide the most effective version of the structure for every specific case of simulation. Numerical techniques as well as the results of beam dynamics studies are presented
Particle-in-Cell Code BEAMPATH for Beam Dynamics Simulations in Linear Accelerators and Beamlines
Energy Technology Data Exchange (ETDEWEB)
Batygin, Y.
2004-10-28
A code library BEAMPATH for 2 - dimensional and 3 - dimensional space charge dominated beam dynamics study in linear particle accelerators and beam transport lines is developed. The program is used for particle-in-cell simulation of axial-symmetric, quadrupole-symmetric and z-uniform beams in a channel containing RF gaps, radio-frequency quadrupoles, multipole lenses, solenoids and bending magnets. The programming method includes hierarchical program design using program-independent modules and a flexible combination of modules to provide the most effective version of the structure for every specific case of simulation. Numerical techniques as well as the results of beam dynamics studies are presented.
International Nuclear Information System (INIS)
Schoolcraft, Tracy A.; Constable, Gregory S.; Jackson, Bryan; Zhigilei, Leonid V.; Garrison, Barbara J.
2001-01-01
A series of molecular dynamics (MD) simulations are performed in order to provide qualitative information on the mechanisms of disintegration of aerosol particles as used in aerosol mass spectrometry. Three generic types of aerosol particles are considered: strongly absorbing particles with homogeneous composition, transparent particles with absorbing inclusion, and absorbing particles with transparent inclusion. To study the effect of the mechanical properties of the aerosol material on the disintegration process, the results for crystalline (brittle) and amorphous (ductile) particles are compared. For large laser fluences, nearly complete dissociation of the absorbing material is observed, whereas the nonabsorbing portions remain fairly intact. Because large fluences can cause photofragmentation of constituent molecules, multiple pulses at low laser fluence and/or lasers with different wavelengths are recommended for the best representative sampling of multicomponent aerosol particles in laser desorption/ionization (LDI) mass spectrometry
Energy Technology Data Exchange (ETDEWEB)
Spellings, Matthew [Chemical Engineering, University of Michigan, 2800 Plymouth Rd., Ann Arbor, MI 48109 (United States); Biointerfaces Institute, University of Michigan, 2800 Plymouth Rd., Ann Arbor, MI 48109 (United States); Marson, Ryan L. [Materials Science & Engineering, University of Michigan, 2300 Hayward St., Ann Arbor, MI 48109 (United States); Biointerfaces Institute, University of Michigan, 2800 Plymouth Rd., Ann Arbor, MI 48109 (United States); Anderson, Joshua A. [Chemical Engineering, University of Michigan, 2800 Plymouth Rd., Ann Arbor, MI 48109 (United States); Biointerfaces Institute, University of Michigan, 2800 Plymouth Rd., Ann Arbor, MI 48109 (United States); Glotzer, Sharon C., E-mail: sglotzer@umich.edu [Chemical Engineering, University of Michigan, 2800 Plymouth Rd., Ann Arbor, MI 48109 (United States); Materials Science & Engineering, University of Michigan, 2300 Hayward St., Ann Arbor, MI 48109 (United States); Biointerfaces Institute, University of Michigan, 2800 Plymouth Rd., Ann Arbor, MI 48109 (United States)
2017-04-01
Faceted shapes, such as polyhedra, are commonly found in systems of nanoscale, colloidal, and granular particles. Many interesting physical phenomena, like crystal nucleation and growth, vacancy motion, and glassy dynamics are challenging to model in these systems because they require detailed dynamical information at the individual particle level. Within the granular materials community the Discrete Element Method has been used extensively to model systems of anisotropic particles under gravity, with friction. We provide an implementation of this method intended for simulation of hard, faceted nanoparticles, with a conservative Weeks–Chandler–Andersen (WCA) interparticle potential, coupled to a thermodynamic ensemble. This method is a natural extension of classical molecular dynamics and enables rigorous thermodynamic calculations for faceted particles.
Maity, Srimanta; Das, Amita; Kumar, Sandeep; Tiwari, Sanat Kumar
2018-04-01
The collective response of the plasma medium is well known and has been explored extensively in the context of dusty plasma medium. On the other hand, the individual particle response associated with the collisional character giving rise to the dissipative phenomena has not been explored adequately. In this paper, two-dimensional molecular dynamics simulation of dust particles interacting via Yukawa potential has been considered. It has been shown that disturbances induced in a dust crystal elicit both collective and single particle responses. Generation of a few particles moving at speeds considerably higher than acoustic and/or shock speed (excited by the external disturbance) is observed. This is an indication of a single particle response. Furthermore, as these individual energetic particles propagate, the dust crystal is observed to crack along their path. Initially when the energy is high, these particles generate secondary energetic particles by the collisional scattering process. However, ultimately as these particles slow down they excite a collective response in the dust medium at secondary locations in a region which is undisturbed by the primary external disturbance. The condition when the cracking of the crystal stops and collective excitations get initiated has been identified quantitatively. The trailing collective primary disturbances would thus often encounter a disturbed medium with secondary and tertiary collective perturbations, thereby suffering significant modification in its propagation. It is thus clear that there is an interesting interplay (other than mere dissipation) between the single particle and collective response which governs the dynamics of any disturbance introduced in the medium.
Multiscale Simulations Using Particles
DEFF Research Database (Denmark)
Walther, Jens Honore
vortex methods for problems in continuum fluid dynamics, dissipative particle dynamics for flow at the meso scale, and atomistic molecular dynamics simulations of nanofluidic systems. We employ multiscale techniques to breach the atomistic and continuum scales to study fundamental problems in fluid...... dynamics. Recent work on the thermophoretic motion of water nanodroplets confined inside carbon nanotubes, and multiscale techniques for polar liquids will be discussed in detail at the symposium....
Computational Particle Dynamic Simulations on Multicore Processors (CPDMu) Final Report Phase I
Energy Technology Data Exchange (ETDEWEB)
Schmalz, Mark S
2011-07-24
Statement of Problem - Department of Energy has many legacy codes for simulation of computational particle dynamics and computational fluid dynamics applications that are designed to run on sequential processors and are not easily parallelized. Emerging high-performance computing architectures employ massively parallel multicore architectures (e.g., graphics processing units) to increase throughput. Parallelization of legacy simulation codes is a high priority, to achieve compatibility, efficiency, accuracy, and extensibility. General Statement of Solution - A legacy simulation application designed for implementation on mainly-sequential processors has been represented as a graph G. Mathematical transformations, applied to G, produce a graph representation {und G} for a high-performance architecture. Key computational and data movement kernels of the application were analyzed/optimized for parallel execution using the mapping G {yields} {und G}, which can be performed semi-automatically. This approach is widely applicable to many types of high-performance computing systems, such as graphics processing units or clusters comprised of nodes that contain one or more such units. Phase I Accomplishments - Phase I research decomposed/profiled computational particle dynamics simulation code for rocket fuel combustion into low and high computational cost regions (respectively, mainly sequential and mainly parallel kernels), with analysis of space and time complexity. Using the research team's expertise in algorithm-to-architecture mappings, the high-cost kernels were transformed, parallelized, and implemented on Nvidia Fermi GPUs. Measured speedups (GPU with respect to single-core CPU) were approximately 20-32X for realistic model parameters, without final optimization. Error analysis showed no loss of computational accuracy. Commercial Applications and Other Benefits - The proposed research will constitute a breakthrough in solution of problems related to efficient
Jdpd: an open java simulation kernel for molecular fragment dissipative particle dynamics.
van den Broek, Karina; Kuhn, Hubert; Zielesny, Achim
2018-05-21
Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factory-pattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The new kernel may be utilized in different simulation environments ranging from flexible scripting solutions up to fully integrated "all-in-one" simulation systems.
International Nuclear Information System (INIS)
Lee, Song Hi
2010-01-01
We presented a molecular dynamics (MD) simulation study of friction behavior between two very massive Brownian particles (BPs) oriented along the z axis with BP centers at -R 12 /2 and R 12 /2 in a Lennard-Jones solvent as a function of the inter-particle separation, R 12 . In order to fix the BPs in space an MD simulation method with the mass of the BP as 10 90 g/mol was employed in which the total momentum of the system was conserved. The cross friction coefficients of x- and y-components are nearly insensitive to R 12 but that of z-component varies with R 12 in good accord with the simple hydrodynamic approximation. On the other hand, the self-friction coefficients are estimated as a very small difference from the single particle friction coefficients, ξ 0 , at all inter-particle separations which agrees with the simple hydrodynamic approximation. Consequently ξ (-) xx is nearly independent of R 12 and equal to its asymptotic value of twice the single particle friction coefficient, and the other relative friction, ξ (-) zz , is in good agreement with the simple hydrodynamic approximation. Molecular theory of Brownian motion of a single heavy particle in a fluid had received a considerable attention in earlier years. After molecular dynamics (MD) simulation technique was utilized, this subject has been widely studied by a variety of MD simulation methods. The common issues here were about the long time behavior of the force and velocity autocorrelation functions, the system size dependent friction coefficient of a massive Brownian particle, and test of the Stokes-Einstein law
Numerical Simulation of a Tumor Growth Dynamics Model Using Particle Swarm Optimization.
Wang, Zhijun; Wang, Qing
Tumor cell growth models involve high-dimensional parameter spaces that require computationally tractable methods to solve. To address a proposed tumor growth dynamics mathematical model, an instance of the particle swarm optimization method was implemented to speed up the search process in the multi-dimensional parameter space to find optimal parameter values that fit experimental data from mice cancel cells. The fitness function, which measures the difference between calculated results and experimental data, was minimized in the numerical simulation process. The results and search efficiency of the particle swarm optimization method were compared to those from other evolutional methods such as genetic algorithms.
International Nuclear Information System (INIS)
Surma, I.V.; Shvedunov, V.I.
1993-01-01
The paper presents modification results of the program for simulation of particle dynamics in cyclic accelerators with RTMTRACE linear gap. The program was modified with regard for the effect of space charge effect on particle dynamics. Calculation results of particle dynamics in 1 MeV energy continuous-duty accelerator with 10 kw beam were used to develop continuous powerful commercial accelerator. 3 refs., 2 figs
Computational fluid dynamics (CFD) simulation of a newly designed passive particle sampler.
Sajjadi, H; Tavakoli, B; Ahmadi, G; Dhaniyala, S; Harner, T; Holsen, T M
2016-07-01
In this work a series of computational fluid dynamics (CFD) simulations were performed to predict the deposition of particles on a newly designed passive dry deposition (Pas-DD) sampler. The sampler uses a parallel plate design and a conventional polyurethane foam (PUF) disk as the deposition surface. The deposition of particles with sizes between 0.5 and 10 μm was investigated for two different geometries of the Pas-DD sampler for different wind speeds and various angles of attack. To evaluate the mean flow field, the k-ɛ turbulence model was used and turbulent fluctuating velocities were generated using the discrete random walk (DRW) model. The CFD software ANSYS-FLUENT was used for performing the numerical simulations. It was found that the deposition velocity increased with particle size or wind speed. The modeled deposition velocities were in general agreement with the experimental measurements and they increased when flow entered the sampler with a non-zero angle of attack. The particle-size dependent deposition velocity was also dependent on the geometry of the leading edge of the sampler; deposition velocities were more dependent on particle size and wind speeds for the sampler without the bend in the leading edge of the deposition plate, compared to a flat plate design. Foam roughness was also found to have a small impact on particle deposition. Copyright © 2016 Elsevier Ltd. All rights reserved.
Molecular dynamics simulations of the embedding of a nano-particle into a polymer film
International Nuclear Information System (INIS)
Ochoa, J G Diaz; Binder, K; Paul, W
2006-01-01
In this work we report on molecular dynamics simulations of the embedding process of a nano-particle into a polymeric film as a function of temperature. This process has been employed experimentally in recent years to test for a shift of the glass transition of a material due to the confined film geometry and to test for the existence of a liquid-like layer on top of a glassy polymer film. The embedding process is governed thermodynamically by the prewetting properties of the polymer on the nano-particle. We show that the dynamics of the process depends on the Brownian motion characteristics of the nano-particle in and on the polymer film. It displays large sample to sample variations, suggesting that it is an activated process. On the timescales of the simulation an embedding of the nano-particle is only observed for temperatures above the bulk glass transition temperature of the polymer, agreeing with experimental observations on noble metal clusters of comparable size
A multilevel particle method for gas dynamics: application to multi-fluids simulation
International Nuclear Information System (INIS)
Weynans, Lisl
2006-12-01
In inertial confinement fusion, laser implosions require to know hydrodynamic flow in presence of shocks. This work is devoted to the evaluation of the ability of a particle-mesh method, inspired from Vortex-In-Cell methods, to simulate gas dynamics, especially multi-fluids. First, we develop a particle method, associated with a conservative re-meshing step, which is performed with high order interpolating kernels. We study theoretically and numerically this method. This analysis gives evidence of a strong relationship between the particle method and high order Lax-Wendroff-like finite difference schemes. We introduce a new scheme for the advection of particles. Then we implement a multilevel technique, inspired from AMR, which allows us to increase locally the accuracy of the computations. Finally we develop a level set-like technique, discretized on the particles, to simulate the interface between compressible flows. We use the multilevel technique to improve the interface resolution and the conservation of partial masses. (author)
Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Plasma Dynamics
Energy Technology Data Exchange (ETDEWEB)
Yu Lin; Xueyi Wang; Liu Chen; Zhihong Lin
2009-08-11
Fully kinetic-particle simulations and hybrid simulations have been utilized for decades to investigate various fundamental plasma processes, such as magnetic reconnection, fast compressional waves, and wave-particle interaction. Nevertheless, due to disparate temporal and spatial scales between electrons and ions, existing fully kinetic-particle codes have to employ either unrealistically high electron-to-ion mass ratio, me/mi, or simulation domain limited to a few or a few ten's of the ion Larmor radii, or/and time much less than the global Alfven time scale in order to accommodate available computing resources. On the other hand, in the hybrid simulation, the ions are treated as fully kinetic particles but the electrons are treated as a massless fluid. The electron kinetic effects, e.g., wave-particle resonances and finite electron Larmor radius effects, are completely missing. Important physics, such as the electron transit time damping of fast compressional waves or the triggering mechanism of magnetic reconnection in collisionless plasmas is absent in the hybrid codes. Motivated by these considerations and noting that dynamics of interest to us has frequencies lower than the electron gyrofrequency, we planned to develop an innovative particle simulation model, gyrokinetic (GK) electrons and fully kinetic (FK) ions. In the GK-electron and FK-ion (GKe/FKi) particle simulation model, the rapid electron cyclotron motion is removed, while keeping finite electron Larmor radii, realistic me/mi ratio, wave-particle interactions, and off-diagonal components of electron pressure tensor. The computation power can thus be significantly improved over that of the full-particle codes. As planned in the project DE-FG02-05ER54826, we have finished the development of the new GK-electron and FK-ion scheme, finished its benchmark for a uniform plasma in 1-D, 2-D, and 3-D systems against linear waves obtained from analytical theories, and carried out a further convergence
Gyrokinetic Electron and Fully Kinetic Ion Particle Simulation of Collisionless Plasma Dynamics
International Nuclear Information System (INIS)
Lin, Yu; Wang, Xueyi; Chen, Liu; Lin, Zhihong
2009-01-01
Fully kinetic-particle simulations and hybrid simulations have been utilized for decades to investigate various fundamental plasma processes, such as magnetic reconnection, fast compressional waves, and wave-particle interaction. Nevertheless, due to disparate temporal and spatial scales between electrons and ions, existing fully kinetic-particle codes have to employ either unrealistically high electron-to-ion mass ratio, me/mi, or simulation domain limited to a few or a few ten's of the ion Larmor radii, or/and time much less than the global Alfven time scale in order to accommodate available computing resources. On the other hand, in the hybrid simulation, the ions are treated as fully kinetic particles but the electrons are treated as a massless fluid. The electron kinetic effects, e.g., wave-particle resonances and finite electron Larmor radius effects, are completely missing. Important physics, such as the electron transit time damping of fast compressional waves or the triggering mechanism of magnetic reconnection in collisionless plasmas is absent in the hybrid codes. Motivated by these considerations and noting that dynamics of interest to us has frequencies lower than the electron gyrofrequency, we planned to develop an innovative particle simulation model, gyrokinetic (GK) electrons and fully kinetic (FK) ions. In the GK-electron and FK-ion (GKe/FKi) particle simulation model, the rapid electron cyclotron motion is removed, while keeping finite electron Larmor radii, realistic me/mi ratio, wave-particle interactions, and off-diagonal components of electron pressure tensor. The computation power can thus be significantly improved over that of the full-particle codes. As planned in the project DE-FG02-05ER54826, we have finished the development of the new GK-electron and FK-ion scheme, finished its benchmark for a uniform plasma in 1-D, 2-D, and 3-D systems against linear waves obtained from analytical theories, and carried out a further convergence test
The programme library for numerical simulation of charged particle dynamics in transportation lines
International Nuclear Information System (INIS)
Aleksandrov, V.S.; Shevtsov, V.F.; Shirkov, G.D.; Batygin, Yu.K.
1998-01-01
The description of a PC codes library to simulate the beam transportation of charged particles is presented. The codes are realized on IBM PC in Visual Basic common interface. It is destined for the simulation and optimization of beam dynamics and based on the successive and consistent use of two methods: the momentum method of distribution functions (RMS technique) and the particle-particle method (PP-Method). The library allows to calculate the RMS parameters of electron and ion beams, passing through a set of quadrupoles, solenoids, bends, accelerating sections. The RMS code is a fast code very suitable for the first test, design and optimization of the beam line parameters. The PP code requires more time for execution but provides a high accuracy of simulation taking into account the space charge effects, aberrations and beam losses. One of the main advantages of PP code presented here is an ability to simulate a real multicomponent beam of different masses and charged states of ions from ion sources
Object-Oriented Parallel Particle-in-Cell Code for Beam Dynamics Simulation in Linear Accelerators
International Nuclear Information System (INIS)
Qiang, J.; Ryne, R.D.; Habib, S.; Decky, V.
1999-01-01
In this paper, we present an object-oriented three-dimensional parallel particle-in-cell code for beam dynamics simulation in linear accelerators. A two-dimensional parallel domain decomposition approach is employed within a message passing programming paradigm along with a dynamic load balancing. Implementing object-oriented software design provides the code with better maintainability, reusability, and extensibility compared with conventional structure based code. This also helps to encapsulate the details of communications syntax. Performance tests on SGI/Cray T3E-900 and SGI Origin 2000 machines show good scalability of the object-oriented code. Some important features of this code also include employing symplectic integration with linear maps of external focusing elements and using z as the independent variable, typical in accelerators. A successful application was done to simulate beam transport through three superconducting sections in the APT linac design
International Nuclear Information System (INIS)
Garberoglio, Giovanni
2010-01-01
We present the results of computer simulations of methanol confined in carbon nanotubes. Different levels of confinement were identified as a function of the nanotube radius and characterized using a pair-distribution function adapted to the cylindrical geometry of these systems. Dynamical properties of methanol were also analysed as a function of the nanotube size, both at the level of single-particle and collective properties. We found that confinement in narrow carbon nanotubes strongly affects the dynamical properties of methanol with respect to the bulk phase, due to the strong interaction with the carbon nanotube. In the other cases, confined methanol shows properties quite similar to those of the bulk phase. These phenomena are related to the peculiar hydrogen bonded network of methanol and are compared to the behaviour of water confined in similar conditions. The effect of nanotube flexibility on the dynamical properties of confined methanol is also discussed.
Kalyuzhnyi, O.; Ilnytskyi, J. M.; Holovatch, Yu; von Ferber, C.
2018-05-01
In this paper we study the shape characteristics of star-like polymers in various solvent quality using a mesoscopic level of modeling. The dissipative particle dynamics simulations are performed for the homogeneous and four different heterogeneous star polymers with the same molecular weight. We analyse the gyration radius and asphericity at the poor, good and θ-solvent regimes. Detailed explanation based on interplay between enthalpic and entropic contributions to the free energy and analyses on of the asphericity of individual branches are provided to explain the increase of the apsphericity in θ-solvent regime.
Numerical simulation on void bubble dynamics using moving particle semi-implicit method
International Nuclear Information System (INIS)
Tian Wenxi; Ishiwatari, Yuki; Ikejiri, Satoshi; Yamakawa, Masanori; Oka, Yoshiaki
2009-01-01
In present study, the collapse of void bubble in liquid has been simulated using moving particle semi-implicit (MPS) code. The liquid is described using moving particles and the bubble-liquid interface was set to be vacuum pressure boundary without interfacial heat mass transfer. The topological shape of bubble can be traced according to the motion and location of interfacial particles. The time dependent bubble diameter, interfacial velocity and bubble collapse time were obtained under wide parametric range. The comparison with Rayleigh and Zababakhin's prediction showed a good agreement which validates the applicability and accuracy on MPS method in solving present momentum problems. The potential void induced water hammer pressure pulse was also evaluated which is instructive for further material erosion study. The bubble collapse with non-condensable gas has been further simulated and the rebound phenomenon was successfully captured which is similar with vapor-filled cavitation phenomenon. The present study exhibits some fundamental characteristics of void bubble hydrodynamics and it is also expected to be instructive for further applications of MPS method to complicated bubble dynamics problems.
International Nuclear Information System (INIS)
Rafii-Tabar, H.
1998-01-01
A computer-based numerical modelling of the adsorption process of gas phase metallic particles on the surface of a graphite substrate has been performed via the application of molecular dynamics simulation method. The simulation related to an extensive STM-based experiment performed in this field, and reproduces part of the experimental results. Both two-body and many-body inter-atomic potentials have been employed. A Morse-type potential describing the metal-carbon interactions at the interface was specially formulated for this modelling. Intercalation of silver in graphite has been observed as well as the correct alignments of monomers, dimers and two-dimensional islands on the surface. (author)
McCune, Matthew; Kosztin, Ioan
2013-03-01
Cellular Particle Dynamics (CPD) is a theoretical-computational-experimental framework for describing and predicting the time evolution of biomechanical relaxation processes of multi-cellular systems, such as fusion, sorting and compression. In CPD, cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through numerical integration of their equations of motion. Here we present CPD simulation results for the fusion of both spherical and cylindrical multi-cellular aggregates. First, we calibrate the relevant CPD model parameters for a given cell type by comparing the CPD simulation results for the fusion of two spherical aggregates to the corresponding experimental results. Next, CPD simulations are used to predict the time evolution of the fusion of cylindrical aggregates. The latter is relevant for the formation of tubular multi-cellular structures (i.e., primitive blood vessels) created by the novel bioprinting technology. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.
Granular dynamics, contact mechanics and particle system simulations a DEM study
Thornton, Colin
2015-01-01
This book is devoted to the Discrete Element Method (DEM) technique, a discontinuum modelling approach that takes into account the fact that granular materials are composed of discrete particles which interact with each other at the microscale level. This numerical simulation technique can be used both for dispersed systems in which the particle-particle interactions are collisional and compact systems of particles with multiple enduring contacts. The book provides an extensive and detailed explanation of the theoretical background of DEM. Contact mechanics theories for elastic, elastic-plastic, adhesive elastic and adhesive elastic-plastic particle-particle interactions are presented. Other contact force models are also discussed, including corrections to some of these models as described in the literature, and important areas of further research are identified. A key issue in DEM simulations is whether or not a code can reliably simulate the simplest of systems, namely the single particle oblique impact wit...
International Nuclear Information System (INIS)
Kamberaj, Hiqmet
2015-01-01
In this paper, we present a new method based on swarm particle social intelligence for use in replica exchange molecular dynamics simulations. In this method, the replicas (representing the different system configurations) are allowed communicating with each other through the individual and social knowledge, in additional to considering them as a collection of real particles interacting through the Newtonian forces. The new method is based on the modification of the equations of motion in such way that the replicas are driven towards the global energy minimum. The method was tested for the Lennard-Jones clusters of N = 4, 5, and 6 atoms. Our results showed that the new method is more efficient than the conventional replica exchange method under the same practical conditions. In particular, the new method performed better on optimizing the distribution of the replicas among the thermostats with time and, in addition, ergodic convergence is observed to be faster. We also introduce a weighted histogram analysis method allowing analyzing the data from simulations by combining data from all of the replicas and rigorously removing the inserted bias
Zhu, S.; Sartelet, K. N.; Seigneur, C.
2015-06-01
The Size-Composition Resolved Aerosol Model (SCRAM) for simulating the dynamics of externally mixed atmospheric particles is presented. This new model classifies aerosols by both composition and size, based on a comprehensive combination of all chemical species and their mass-fraction sections. All three main processes involved in aerosol dynamics (coagulation, condensation/evaporation and nucleation) are included. The model is first validated by comparison with a reference solution and with results of simulations using internally mixed particles. The degree of mixing of particles is investigated in a box model simulation using data representative of air pollution in Greater Paris. The relative influence on the mixing state of the different aerosol processes (condensation/evaporation, coagulation) and of the algorithm used to model condensation/evaporation (bulk equilibrium, dynamic) is studied.
National Research Council Canada - National Science Library
Kalia, Rajiv
1997-01-01
Large-scale molecular-dynamics (MD) simulations were performed to investigate: (1) sintering process, structural correlations, and mechanical behavior including dynamic fracture in microporous and nanophase Si3N4...
Energy Technology Data Exchange (ETDEWEB)
Borg, Matthew K., E-mail: matthew.borg@strath.ac.uk [Department of Mechanical and Aerospace Engineering, University of Strathclyde, Glasgow G1 1XJ (United Kingdom); Lockerby, Duncan A., E-mail: duncan.lockerby@warwick.ac.uk [School of Engineering, University of Warwick, Coventry CV4 7AL (United Kingdom); Reese, Jason M., E-mail: jason.reese@ed.ac.uk [School of Engineering, University of Edinburgh, Edinburgh EH9 3JL (United Kingdom)
2014-02-21
The emergence of new applications of molecular dynamics (MD) simulation calls for the development of mass-statting procedures that insert or delete particles on-the-fly. In this paper we present a new mass-stat which we term FADE, because it gradually “fades-in” (inserts) or “fades-out” (deletes) molecules over a short relaxation period within a MD simulation. FADE applies a time-weighted relaxation to the intermolecular pair forces between the inserting/deleting molecule and any neighbouring molecules. The weighting function we propose in this paper is a piece-wise polynomial that can be described entirely by two parameters: the relaxation time scale and the order of the polynomial. FADE inherently conserves overall system momentum independent of the form of the weighting function. We demonstrate various simulations of insertions of atomic argon, polyatomic TIP4P water, polymer strands, and C{sub 60} Buckminsterfullerene molecules. We propose FADE parameters and a maximum density variation per insertion-instance that restricts spurious potential energy changes entering the system within desired tolerances. We also demonstrate in this paper that FADE compares very well to an existing insertion algorithm called USHER, in terms of accuracy, insertion rate (in dense fluids), and computational efficiency. The USHER algorithm is applicable to monatomic and water molecules only, but we demonstrate that FADE can be generally applied to various forms and sizes of molecules, such as polymeric molecules of long aspect ratio, and spherical carbon fullerenes with hollow interiors.
International Nuclear Information System (INIS)
Borg, Matthew K.; Lockerby, Duncan A.; Reese, Jason M.
2014-01-01
The emergence of new applications of molecular dynamics (MD) simulation calls for the development of mass-statting procedures that insert or delete particles on-the-fly. In this paper we present a new mass-stat which we term FADE, because it gradually “fades-in” (inserts) or “fades-out” (deletes) molecules over a short relaxation period within a MD simulation. FADE applies a time-weighted relaxation to the intermolecular pair forces between the inserting/deleting molecule and any neighbouring molecules. The weighting function we propose in this paper is a piece-wise polynomial that can be described entirely by two parameters: the relaxation time scale and the order of the polynomial. FADE inherently conserves overall system momentum independent of the form of the weighting function. We demonstrate various simulations of insertions of atomic argon, polyatomic TIP4P water, polymer strands, and C 60 Buckminsterfullerene molecules. We propose FADE parameters and a maximum density variation per insertion-instance that restricts spurious potential energy changes entering the system within desired tolerances. We also demonstrate in this paper that FADE compares very well to an existing insertion algorithm called USHER, in terms of accuracy, insertion rate (in dense fluids), and computational efficiency. The USHER algorithm is applicable to monatomic and water molecules only, but we demonstrate that FADE can be generally applied to various forms and sizes of molecules, such as polymeric molecules of long aspect ratio, and spherical carbon fullerenes with hollow interiors
Radiation in Particle Simulations
International Nuclear Information System (INIS)
More, R.; Graziani, F.; Glosli, J.; Surh, M.
2010-01-01
Hot dense radiative (HDR) plasmas common to Inertial Confinement Fusion (ICF) and stellar interiors have high temperature (a few hundred eV to tens of keV), high density (tens to hundreds of g/cc) and high pressure (hundreds of megabars to thousands of gigabars). Typically, such plasmas undergo collisional, radiative, atomic and possibly thermonuclear processes. In order to describe HDR plasmas, computational physicists in ICF and astrophysics use atomic-scale microphysical models implemented in various simulation codes. Experimental validation of the models used to describe HDR plasmas are difficult to perform. Direct Numerical Simulation (DNS) of the many-body interactions of plasmas is a promising approach to model validation but, previous work either relies on the collisionless approximation or ignores radiation. We present four methods that attempt a new numerical simulation technique to address a currently unsolved problem: the extension of molecular dynamics to collisional plasmas including emission and absorption of radiation. The first method applies the Lienard-Weichert solution of Maxwell's equations for a classical particle whose motion is assumed to be known. The second method expands the electromagnetic field in normal modes (planewaves in a box with periodic boundary-conditions) and solves the equation for wave amplitudes coupled to the particle motion. The third method is a hybrid molecular dynamics/Monte Carlo (MD/MC) method which calculates radiation emitted or absorbed by electron-ion pairs during close collisions. The fourth method is a generalization of the third method to include small clusters of particles emitting radiation during close encounters: one electron simultaneously hitting two ions, two electrons simultaneously hitting one ion, etc. This approach is inspired by the virial expansion method of equilibrium statistical mechanics. Using a combination of these methods we believe it is possible to do atomic-scale particle simulations of
International Nuclear Information System (INIS)
Koshizuka, Seiichi
2011-01-01
The Moving Particle Semi-implicit (MPS) method is one of the particle methods in which continuum mechanics is analyzed using the concept of particles. Since meshes are not used, large deformation of free surfaces and material interfaces can be simulated without the problems of mesh distortion. Thus, the MPS method has been applied to multiphase flow analysis in nuclear engineering. The advantages of the particle methods are also useful for applications in other engineering fields: ship engineering, civil engineering, microflow, biomechanics, visualization, etc. In this review, calculation examples are described and classified. Commercial codes have been released and applied in industries. The particle methods are also used in TV programs, movies, and computer games. Combinations of numerical techniques for multiphysics problems, fast calculations, and high-quality visualizations are expected to lead to real-time particle simulations for various new applications in the near future. (author)
Vijaykumar, A.; Ouldridge, T.E.; ten Wolde, P.R.; Bolhuis, P.G.
2017-01-01
The modeling of complex reaction-diffusion processes in, for instance, cellular biochemical networks or self-assembling soft matter can be tremendously sped up by employing a multiscale algorithm which combines the mesoscopic Green's Function Reaction Dynamics (GFRD) method with explicit stochastic
Development of RFQ particle dynamics simulation tools and validation with beam tests
Energy Technology Data Exchange (ETDEWEB)
Maus, Johannes M.
2010-07-01
Two different strategies of designing RFQs have been introduced. The analytic description of the electric fields inside the quadrupole channel has been derived and the two term simplification was shown as well as the limitation of these approaches. The main work of this thesis was the implementation and analysis of a multigrid Poisson solver to describe the potential and electric field of RFQs which are needed to simulate the particle dynamics accurately. The main two ingredients of a multigrid Poisson solver are the ability of a Gauss-Seidel iteration method to smooth the error of an approximation within a few iteration steps and the coarse grid principle. The smoothing corresponds to a damping of the high frequency components of the error. After the smoothing, the error term can well be approximated on a coarser grid in which the low frequency components of the error on the fine grid are converted to high frequency errors on the coarse grid which can be damped further with the same Gauss-Seidel method. After implementation, the multigrid Poisson solver was analyzed using two different type of test problems: with and without a charge density. As a charge density, a homogeneously charged ball and cylinder were used to represent the bunched and unbunched beam and placed inside a quadruple channel. The solver showed a good performance. Next, the performance of the solver to calculate the external potentials (and fields) of RFQs was analyzed. Closing the analysis of the external field, the transmission and fraction of accelerated particles of the set of 12 RFQs for the two different methods were shown. In the last chapter of this thesis some experimental work on the MAFF (Munich Accelerator for Fission Fragments) IH-RFQ is described. The MAFF RFQ was designed to accelerate very neutron-rich fission fragments for various experiments. The machine was assembled in Frankfurt and a beam test stand was built. As a part of this thesis the shunt impedance of the structure was
Development of RFQ particle dynamics simulation tools and validation with beam tests
International Nuclear Information System (INIS)
Maus, Johannes M.
2010-01-01
Two different strategies of designing RFQs have been introduced. The analytic description of the electric fields inside the quadrupole channel has been derived and the two term simplification was shown as well as the limitation of these approaches. The main work of this thesis was the implementation and analysis of a multigrid Poisson solver to describe the potential and electric field of RFQs which are needed to simulate the particle dynamics accurately. The main two ingredients of a multigrid Poisson solver are the ability of a Gauss-Seidel iteration method to smooth the error of an approximation within a few iteration steps and the coarse grid principle. The smoothing corresponds to a damping of the high frequency components of the error. After the smoothing, the error term can well be approximated on a coarser grid in which the low frequency components of the error on the fine grid are converted to high frequency errors on the coarse grid which can be damped further with the same Gauss-Seidel method. After implementation, the multigrid Poisson solver was analyzed using two different type of test problems: with and without a charge density. As a charge density, a homogeneously charged ball and cylinder were used to represent the bunched and unbunched beam and placed inside a quadruple channel. The solver showed a good performance. Next, the performance of the solver to calculate the external potentials (and fields) of RFQs was analyzed. Closing the analysis of the external field, the transmission and fraction of accelerated particles of the set of 12 RFQs for the two different methods were shown. In the last chapter of this thesis some experimental work on the MAFF (Munich Accelerator for Fission Fragments) IH-RFQ is described. The MAFF RFQ was designed to accelerate very neutron-rich fission fragments for various experiments. The machine was assembled in Frankfurt and a beam test stand was built. As a part of this thesis the shunt impedance of the structure was
Gatsonis, Nikolaos; Yang, Jun
2013-11-01
The SDPD-DV is implemented in our work for arbitrary 3D wall bounded geometries. The particle position and momentum equations are integrated with a velocity-Verlet algorithm and the entropy equation is integrated with a Runge-Kutta algorithm. Simulations of nitrogen gas are performed to evaluate the effects of timestep and particle scale on temperature, self-diffusion coefficient and shear viscosity. The hydrodynamic fluctuations in temperature, density, pressure and velocity from the SDPD-DV simulations are evaluated and compared with theoretical predictions. Steady planar thermal Couette flows are simulated and compared with analytical solutions. Simulations cover the hydrodynamic and mesocopic regime and show thermal fluctuations and their dependence on particle size.
Yang, Sheng-Chun; Lu, Zhong-Yuan; Qian, Hu-Jun; Wang, Yong-Lei; Han, Jie-Ping
2017-11-01
In this work, we upgraded the electrostatic interaction method of CU-ENUF (Yang, et al., 2016) which first applied CUNFFT (nonequispaced Fourier transforms based on CUDA) to the reciprocal-space electrostatic computation and made the computation of electrostatic interaction done thoroughly in GPU. The upgraded edition of CU-ENUF runs concurrently in a hybrid parallel way that enables the computation parallelizing on multiple computer nodes firstly, then further on the installed GPU in each computer. By this parallel strategy, the size of simulation system will be never restricted to the throughput of a single CPU or GPU. The most critical technical problem is how to parallelize a CUNFFT in the parallel strategy, which is conquered effectively by deep-seated research of basic principles and some algorithm skills. Furthermore, the upgraded method is capable of computing electrostatic interactions for both the atomistic molecular dynamics (MD) and the dissipative particle dynamics (DPD). Finally, the benchmarks conducted for validation and performance indicate that the upgraded method is able to not only present a good precision when setting suitable parameters, but also give an efficient way to compute electrostatic interactions for huge simulation systems. Program Files doi:http://dx.doi.org/10.17632/zncf24fhpv.1 Licensing provisions: GNU General Public License 3 (GPL) Programming language: C, C++, and CUDA C Supplementary material: The program is designed for effective electrostatic interactions of large-scale simulation systems, which runs on particular computers equipped with NVIDIA GPUs. It has been tested on (a) single computer node with Intel(R) Core(TM) i7-3770@ 3.40 GHz (CPU) and GTX 980 Ti (GPU), and (b) MPI parallel computer nodes with the same configurations. Nature of problem: For molecular dynamics simulation, the electrostatic interaction is the most time-consuming computation because of its long-range feature and slow convergence in simulation space
Directory of Open Access Journals (Sweden)
Xin Li
2013-07-01
Full Text Available Atmospheric amino acids constitute a large fraction of water-soluble organic nitrogen compounds in aerosol particles, and have been confirmed as effective cloud condensation nuclei (CCN materials in laboratory experiments. We present a molecular dynamics (MD study of six amino acids with different structures and chemical properties that are relevant to the remote marine atmospheric aerosol–cloud system, with the aim of investigating the detailed mechanism of their induced changes in surface activity and surface tension, which are important properties for cloud drop activation. Distributions and orientations of the amino acid molecules are studied; these l-amino acids are serine (SER, glycine (GLY, alanine (ALA, valine (VAL, methionine (MET and phenylalanine (PHE and are categorised as hydrophilic and amphiphilic according to their affinities to water. The results suggest that the presence of surface-concentrated amphiphilic amino acid molecules give rise to enhanced Lennard–Jones repulsion, which in turn results in decreased surface tension of a planar interface and an increased surface tension of the spherical interface of droplets with diameters below 10 nm. The observed surface tension perturbation for the different amino acids under study not only serves as benchmark for future studies of more complex systems, but also shows that amphiphilic amino acids are surface active. The MD simulations used in this study reproduce experimental results of surface tension measurements for planar interfaces and the method is therefore applicable for spherical interfaces of nano-size for which experimental measurements are not possible to conduct.
Lee, Ming-Tsung; Vishnyakov, Aleksey; Neimark, Alexander V
2013-09-05
Micelle formation in surfactant solutions is a self-assembly process governed by complex interplay of solvent-mediated interactions between hydrophilic and hydrophobic groups, which are commonly called heads and tails. However, the head-tail repulsion is not the only factor affecting the micelle formation. For the first time, we present a systematic study of the effect of chain rigidity on critical micelle concentration and micelle size, which is performed with the dissipative particle dynamics simulation method. Rigidity of the coarse-grained surfactant molecule was controlled by the harmonic bonds set between the second-neighbor beads. Compared to flexible molecules with the nearest-neighbor bonds being the only type of bonded interactions, rigid molecules exhibited a lower critical micelle concentration and formed larger and better-defined micelles. By varying the strength of head-tail repulsion and the chain rigidity, we constructed two-dimensional diagrams presenting how the critical micelle concentration and aggregation number depend on these parameters. We found that the solutions of flexible and rigid molecules that exhibited approximately the same critical micelle concentration could differ substantially in the micelle size and shape depending on the chain rigidity. With the increase of surfactant concentration, primary micelles of more rigid molecules were found less keen to agglomeration and formation of nonspherical aggregates characteristic of flexible molecules.
Dynamics of fibres in a turbulent flow field - A particle-level simulation technique
International Nuclear Information System (INIS)
Sasic, Srdjan; Almstedt, Alf-Erik
2010-01-01
A particle-level simulation technique has been developed for modelling the flow of fibres in a turbulent flow field. A single fibre is conceived here as a chain of segments, thus enabling the model fibre to have all the degrees of freedom (translation, rotation, bending and twisting) needed to realistically reproduce the dynamics of real fibres. Equations of motion are solved for each segment, accounting for the interaction forces with the fluid, the contact forces with other fibres and the forces that maintain integrity of the fibre. The motion of the fluid is resolved as a combination of 3D mean flow velocities obtained from a CFD code and fluctuating turbulent velocities derived from the Langevin equation. A case of homogeneous turbulence is treated in this paper. The results obtained show that fibre flocs in air-fibre flows can be created even when attractive forces are not present. In such a case, contacts between fibres, properties of an individual fibre (such as flexibility and equilibrium shapes) and properties of the flow of the carrying fluid are shown to govern the physics behind formation and breaking up of fibre flocs. Highly irregular fibre shapes and stiff fibres lead to strong flocculation. The modelling framework applied in this work aims at making possible a numerical model applicable for designing processes involving transport of fibres by air at industrial scale.
Directory of Open Access Journals (Sweden)
Helmut Schomburg
2013-03-01
Full Text Available In this work a numerical approach to predict the deposition behaviour of nano-scale particles on the surface of a single fibre by resolving the resulting dendrite-like particle structures in detail is presented. The gas flow simulation is carried out by a two-dimensional Lattice-Boltzmann method, which is coupled with a Lagrangian approach for the particle motion. To decrease calculation time and system requirements the Lattice-Boltzmann model is extended to allow for local grid refinement. Because of the a priori unknown location of deposition, the simulation procedure starts on a coarse mesh which is then locally refined in a fully adaptive way in regions of accumulated particles. After each deposition the fluid flow is recalculated in order to resolve the coupling of the flow with the growing particle structures correctly. For the purpose of avoiding unphysical blocking of flow by growing particle dendrites the Lattice-Boltzmann method is extended to permeable cells in these regions using the Brinkmann equation. This extended deposition model is compared to simpler approaches, where the deposit has no retroaction on the flow or is treated as a solid structure. It is clear that the permeable model is most realistic and allows considering the particle deposition on a fibre as two-dimensional problem. Comprehensive simulations were conducted for analysing the importance of different parameters, i.e. free-stream velocity and particle diameter on the deposit structure. The results of this sensitivity analysis agree qualitatively well with former published numerical and experimental results. Finally the structure of the particle deposit was quantitatively characterised by using a modified fractal dimension.
Simulations of Operation Dynamics of Different Type GaN Particle Sensors
Gaubas, Eugenijus; Ceponis, Tomas; Kalesinskas, Vidas; Pavlov, Jevgenij; Vysniauskas, Juozas
2015-01-01
The operation dynamics of the capacitor-type and PIN diode type detectors based on GaN have been simulated using the dynamic and drift-diffusion models. The drift-diffusion current simulations have been implemented by employing the software package Synopsys TCAD Sentaurus. The monopolar and bipolar drift regimes have been analyzed by using dynamic models based on the Shockley-Ramo theorem. The carrier multiplication processes determined by impact ionization have been considered in order to compensate carrier lifetime reduction due to introduction of radiation defects into GaN detector material. PMID:25751080
Numerical simulation of particle dynamics in storage rings using BETACOOL program
International Nuclear Information System (INIS)
Meshkov, I.N.; Pivin, R.V.; Sidorin, A.O.; Smirnov, A.V.; Trubnikov, G.V.
2006-01-01
BETACOOL program developed by JINR electron cooling group is a kit of algorithms based on common format of input and output files. The program is oriented to simulation of the ion beam dynamics in a storage ring in the presence of cooling and heating effects. The version presented in this report includes three basic algorithms: simulation of rms parameters of the ion distribution function evolution in time, simulation of the distribution function evolution using Monte-Carlo method and tracking algorithm based on molecular dynamics technique. General processes to be investigated with the program are intrabeam scattering in the ion beam, electron cooling, interaction with residual gas and internal target
Simulating Marine New Particle Formation and Growth Using the M7 Modal Aerosol Dynamics Modal
Directory of Open Access Journals (Sweden)
Ciaran Monahan
2010-01-01
Full Text Available A modal atmospheric aerosol model (M7 is evaluated in terms of predicting marine new particle formation and growth. Simulations were carried out for three different nucleation schemes involving (1 kinetic self-nucleation of OIO (2 nucleation via OIO activation by H2SO4 and (3 nucleation via OIO activation by H2SO4 plus condensation of a low-volatility organic vapour. Peak OIO and H2SO4 vapour concentrations were both limited to 6×106 molecules cm-3 at noontime while the peak organic vapour concentration was limited to 12×106 molecules cm-3. All simulations produced significant concentrations of new particles in the Aitken mode. From a base case particle concentration of 222 cm-3 at radii >15 nm, increases in concentrations to 366 cm-3 were predicted from the OIO-OIO case, 722 cm-3 for the OIO-H2SO4 case, and 1584 cm-3 for the OIO-H2SO4 case with additional condensing organic vapours. The results indicate that open ocean new particle production is feasible for clean conditions; however, new particle production becomes most significant when an additional condensable organic vapour is available to grow the newly formed particles to larger sizes. Comparison to sectional model for a typical case study demonstrated good agreement and the validity of using the modal model.
From molecular dynamics and particle simulations towards constitutive relations for continuum theory
Luding, Stefan; Koren, B.; Vuik, K.
2009-01-01
A challenge of today‖s research is the realistic simulation of disordered atomistic systems or particulate and granular materials like sand, powders, ceramics or composites, which consist of many millions of atoms/particles. The inhomogeneous fine-structure of such materials makes it very difficult
Large shear deformation of particle gels studied by Brownian Dynamics simulations
Rzepiela, A.A.; Opheusden, van J.H.J.; Vliet, van T.
2002-01-01
This paper focuses on shear deformation of particle gels. Two different methods of shear deformation are discussed, namely affine and non-affine deformation, the second being novel in simulation studies of gels. Non-affine deformation resulted in a slower increase of the stress at small deformation.
Substorm effects in MHD and test particle simulations of magnetotail dynamics
International Nuclear Information System (INIS)
Birn, J.; Hesse, M.
1998-01-01
Recent magnetohydrodynamic simulations demonstrate that a global tail instability, initiated by localized breakdown of MHD, can cause plasmoid formation and ejection as well as dipolarization and the current diversion of the substorm current wedge. The connection between the reconnection process and the current wedge signatures is provided by earthward flow from the reconnection site. Its braking and diversion in the inner magnetosphere causes dipolarization and the magnetic field distortions of the current wedge. The authors demonstrate the characteristic properties of this process and the current systems involved. The strong localized electric field associated with the flow burst and the dipolarization is also the cause of particle acceleration and energetic particle injections. Test particle simulations of orbits in the MHD fields yield results that are quite consistent with observed injection signatures
Simulation of dynamic magnetic particle capture and accumulation around a ferromagnetic wire
Energy Technology Data Exchange (ETDEWEB)
Choomphon-anomakhun, Natthaphon [Department of Physics, Faculty of Science, Chulalongkorn University, 254 Phayathai Road, Bangkok 10330 (Thailand); Ebner, Armin D. [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Natenapit, Mayuree [Department of Physics, Faculty of Science, Chulalongkorn University, 254 Phayathai Road, Bangkok 10330 (Thailand); Ritter, James A. [Department of Chemical Engineering, University of South Carolina, Columbia, SC 29208 (United States)
2017-04-15
A new approach for modeling high gradient magnetic separation (HGMS)-type systems during the time-dependent capture and accumulation of magnetic particles by a ferromagnetic wire was developed. This new approach assumes the fluid (slurry) viscosity, comprised of water and magnetic particles, is a function of the magnetic particle concentration in the fluid, with imposed maxima on both the particle concentration and fluid viscosity to avoid unrealistic limits. In 2-D, the unsteady-state Navier-Stokes equations for compressible fluid flow and the unsteady-state continuity equations applied separately to the water and magnetic particle phases in the slurry were solved simultaneously, along with the Laplace equations for the magnetic potential applied separately to the slurry and wire, to evaluate the velocities and concentrations around the wire in a narrow channel using COMSOL Multiphysics. The results from this model revealed very realistic magnetically attractive and repulsive zones forming in time around the wire. These collection zones formed their own impermeable viscous phase during accumulation that was also magnetic with its area and magnetism impacting locally both the fluid flow and magnetic fields around the wire. These collection zones increased with an increase in the applied magnetic field. For a given set of conditions, the capture ability peaked and then decreased to zero at infinite time during magnetic particle accumulation in the collection zones. Predictions of the collection efficiency from a steady-state, clean collector, trajectory model could not show this behavior; it also agreed only qualitatively with the dynamic model and then only at the early stages of collection and more so at a higher applied magnetic field. Also, the collection zones decreased in size when the accumulation regions included magnetic particle magnetization (realistic) compared to when they excluded it (unrealistic). Overall, this might be the first time a mathematical
McCune, Matthew; Shafiee, Ashkan; Forgacs, Gabor; Kosztin, Ioan
2014-03-01
Cellular Particle Dynamics (CPD) is an effective computational method for describing and predicting the time evolution of biomechanical relaxation processes of multicellular systems. A typical example is the fusion of spheroidal bioink particles during post bioprinting structure formation. In CPD cells are modeled as an ensemble of cellular particles (CPs) that interact via short-range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through integration of their equations of motion. CPD was successfully applied to describe and predict the fusion of 3D tissue construct involving identical spherical aggregates. Here, we demonstrate that CPD can also predict tissue formation involving uneven spherical aggregates whose volumes decrease during the fusion process. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.
Satoh, Akira
2010-01-01
This book presents the most important and main concepts of the molecular and microsimulation techniques. It enables readers to improve their skills in developing simulation programs by providing physical problems and sample simulation programs for them to use. Provides tools to develop skills in developing simulations programs Includes sample simulation programs for the reader to use Appendix explains Fortran and C languages in simple terms to allow the non-expert to use them.
Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats
Stalter, S.; Yelash, L.; Emamy, N.; Statt, A.; Hanke, M.; Lukáčová-Medvid'ová, M.; Virnau, P.
2018-03-01
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations typically pose a computational bottleneck, which we investigate in detail in this study. We find that it is preferable to simulate many small systems as opposed to a few large systems, and that a choice of a simple isokinetic thermostat is typically sufficient while thermostats such as Lowe-Andersen allow for simulations at elevated viscosity. We discuss suitable choices for time steps and finite-size effects which arise in the limit of very small simulation boxes. We also argue that if colloidal systems are considered as opposed to atomistic systems, the gap between microscopic and macroscopic simulations regarding time and length scales is significantly smaller. We propose a novel reduced-order technique for the coupling to the macroscopic solver, which allows us to approximate a non-linear stress-strain relation efficiently and thus further reduce computational effort of microscopic simulations.
Patti, Alessandro; Cuetos, Alejandro
2012-07-01
We report on the diffusion of purely repulsive and freely rotating colloidal rods in the isotropic, nematic, and smectic liquid crystal phases to probe the agreement between Brownian and Monte Carlo dynamics under the most general conditions. By properly rescaling the Monte Carlo time step, being related to any elementary move via the corresponding self-diffusion coefficient, with the acceptance rate of simultaneous trial displacements and rotations, we demonstrate the existence of a unique Monte Carlo time scale that allows for a direct comparison between Monte Carlo and Brownian dynamics simulations. To estimate the validity of our theoretical approach, we compare the mean square displacement of rods, their orientational autocorrelation function, and the self-intermediate scattering function, as obtained from Brownian dynamics and Monte Carlo simulations. The agreement between the results of these two approaches, even under the condition of heterogeneous dynamics generally observed in liquid crystalline phases, is excellent.
Modeling of magnetic particle suspensions for simulations
Satoh, Akira
2017-01-01
The main objective of the book is to highlight the modeling of magnetic particles with different shapes and magnetic properties, to provide graduate students and young researchers information on the theoretical aspects and actual techniques for the treatment of magnetic particles in particle-based simulations. In simulation, we focus on the Monte Carlo, molecular dynamics, Brownian dynamics, lattice Boltzmann and stochastic rotation dynamics (multi-particle collision dynamics) methods. The latter two simulation methods can simulate both the particle motion and the ambient flow field simultaneously. In general, specialized knowledge can only be obtained in an effective manner under the supervision of an expert. The present book is written to play such a role for readers who wish to develop the skill of modeling magnetic particles and develop a computer simulation program using their own ability. This book is therefore a self-learning book for graduate students and young researchers. Armed with this knowledge,...
Supercomputing for molecular dynamics simulations handling multi-trillion particles in nanofluidics
Heinecke, Alexander; Horsch, Martin; Bungartz, Hans-Joachim
2015-01-01
This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, taking Intel Xeon and Intel Xeon Phi clusters as representatives of current platforms. The work describes distributed and shared-memory parallelization on these platforms, including load balancing, with a particular focus on the efficient implementation of the compute kernels. The text also discusses the software-architecture of the resulting code.
International Nuclear Information System (INIS)
Neubert, T.; Miller, R.H.; Buneman, O.; Nishikawa, K.I.
1992-01-01
The dynamics of low-β plasma clouds moving perpendicular to an ambient magnetic field in vacuum and in a background plasma is simulated by means of a three-dimensional, electromagnetic, and relativistic particle simulation code. The simulations show the formation of the space charge sheaths at the sides of the cloud with the associated polarization electric field which facilitate the cross-field propagation, as well as the sheaths at the front and rear end of the cloud caused by the larger ion Larmor radius, which allows ions to move ahead and lag behind the electrons as they gyrate. Results on the cloud dynamics and electromagnetic radiation include the following: (1) In a background plasma, electron and ion sheaths expand along the magnetic field at the same rate, whereas in vacuum the electron sheath expands much faster than the ion sheath. (2) Sheath electrons are accelerated up to relativistic energies. This result indicates that artificial plasma clouds released in the ionosphere or magnetosphere may generate optical emissions (aurora) as energetic sheath electrons scatter in the upper atmosphere. (3) The expansion of the electron sheaths is analogous to the ejection of high-intensity electron beams from spacecraft. (4) Second-order and higher-order sheaths are formed which extend out into the ambient plasma. (5) Formation of the sheaths and the polarization field reduces the forward momentum of the cloud. (6) The coherent component of the particle gyromotion is damped in time as the particles establish a forward directed drift velocity. (7) The coherent particle gyrations generate electromagnetic radiation
International Nuclear Information System (INIS)
Ferreira, C J Simao; Bijl, H; Bussel, G van; Kuik, G van
2007-01-01
The implementation of wind energy conversion systems in the built environment renewed the interest and the research on Vertical Axis Wind Turbines (VAWT), which in this application present several advantages over Horizontal Axis Wind Turbines (HAWT). The VAWT has an inherent unsteady aerodynamic behavior due to the variation of angle of attack with the angle of rotation, perceived velocity and consequentially Reynolds number. The phenomenon of dynamic stall is then an intrinsic effect of the operation of a Vertical Axis Wind Turbine at low tip speed ratios, having a significant impact in both loads and power. The complexity of the unsteady aerodynamics of the VAWT makes it extremely attractive to be analyzed using Computational Fluid Dynamics (CFD) models, where an approximation of the continuity and momentum equations of the Navier-Stokes equations set is solved. The complexity of the problem and the need for new design approaches for VAWT for the built environment has driven the authors of this work to focus the research of CFD modeling of VAWT on: .comparing the results between commonly used turbulence models: URANS (Spalart-Allmaras and k-ε) and large eddy models (Large Eddy Simulation and Detached Eddy Simulation) .verifying the sensitivity of the model to its grid refinement (space and time), .evaluating the suitability of using Particle Image Velocimetry (PIV) experimental data for model validation. The 2D model created represents the middle section of a single bladed VAWT with infinite aspect ratio. The model simulates the experimental work of flow field measurement using Particle Image Velocimetry by Simao Ferreira et al for a single bladed VAWT. The results show the suitability of the PIV data for the validation of the model, the need for accurate simulation of the large eddies and the sensitivity of the model to grid refinement
Dynamical Simulation of Recycling and Particle Fueling in TJ-II Plasmas
International Nuclear Information System (INIS)
Lopez-Bruna, D.; Ferreira, J. A.; Tabares, F. L.; Castejon, F.; Guasp, J.
2007-01-01
With the aim of improving the calculation tools for transport analysis in TJ-II plasmas, in this work we analyze the simplified model for a kinetic equation that ASTRA uses to calculate the neutral particle distribution in the plasma. Next, we act on the boundary conditions for this kinetic equation (particularly on the neutral density in the plasma boundary) so we can simulate the recycling conditions for the TJ-II in a simple way. With the resulting transport models we can easily analyze the sensibility of these plasmas to the cold gas puffing depending on the recycling conditions. These transport models evidence the problem of density control in the TJ-II. Likewise, we estimate the importance of recycling in the plasmas heated by energetic neutral beam injection. The experimentally observed increments in density when the energetic neutrals are injected would respond, according to the calculations here presented, to a large increment of the neutrals influx that cannot be explained by the beam itself. (Author) 22 refs
Energy Technology Data Exchange (ETDEWEB)
Gómez-González, Víctor; Docampo-Álvarez, Borja; Gallego, Luis J.; Varela, Luis M., E-mail: luismiguel.varela@usc.es [Grupo de Nanomateriais e Materia Branda, Departamento de Física da Materia Condensada, Universidade de Santiago de Compostela, Campus Vida s/n, E-15782 Santiago de Compostela (Spain); Cabeza, Oscar [Facultade de Ciencias, Universidade da Coruña, Campus A Zapateira s/n, E-15008 A Coruña (Spain); Fedorov, Maxim [Department of Physics, Scottish University Physics Alliance (SUPA), University of Strathclyde, John Anderson Bldg., 107 Rottenrow East, Glasgow G4 0NG (United Kingdom); Lynden-Bell, Ruth M. [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)
2015-09-28
We report a molecular dynamics study of the structure and single-particle dynamics of mixtures of a protic (ethylammonium nitrate) and an aprotic (1-butyl-3-methylimidazolium hexaflurophosphate [BMIM][PF{sub 6}]) room-temperature ionic liquids doped with magnesium and calcium salts with a common anion at 298.15 K and 1 atm. The solvation of these divalent cations in dense ionic environments is analyzed by means of apparent molar volumes of the mixtures, radial distribution functions, and coordination numbers. For the protic mixtures, the effect of salt concentration on the network of hydrogen bonds is also considered. Moreover, single-particle dynamics of the salt cations is studied by means of their velocity autocorrelation functions and vibrational densities of states, explicitly analyzing the influence of salt concentration, and cation charge and mass on these magnitudes. The effect of the valency of the salt cation on these properties is considered comparing the results with those for the corresponding mixtures with lithium salts. We found that the main structural and dynamic features of the local solvation of divalent cations in ionic liquids are similar to those of monovalent salts, with cations being localized in the polar nanoregions of the bulk mixture coordinated in monodentate and bidentate coordination modes by the [NO{sub 3}]{sup −} and [PF{sub 6}]{sup −} anions. However, stronger electrostatic correlations of these polar nanoregions than in mixtures with salts with monovalent cations are found. The vibrational modes of the ionic liquid (IL) are seen to be scarcely affected by the addition of the salt, and the effect of mass and charge on the vibrational densities of states of the dissolved cations is reported. Cation mass is seen to exert a deeper influence than charge on the low-frequency vibrational spectra, giving a red shift of the vibrational modes and a virtual suppression of the higher energy vibrational modes for the heavier Ca{sup 2
International Nuclear Information System (INIS)
Gómez-González, Víctor; Docampo-Álvarez, Borja; Gallego, Luis J.; Varela, Luis M.; Cabeza, Oscar; Fedorov, Maxim; Lynden-Bell, Ruth M.
2015-01-01
We report a molecular dynamics study of the structure and single-particle dynamics of mixtures of a protic (ethylammonium nitrate) and an aprotic (1-butyl-3-methylimidazolium hexaflurophosphate [BMIM][PF 6 ]) room-temperature ionic liquids doped with magnesium and calcium salts with a common anion at 298.15 K and 1 atm. The solvation of these divalent cations in dense ionic environments is analyzed by means of apparent molar volumes of the mixtures, radial distribution functions, and coordination numbers. For the protic mixtures, the effect of salt concentration on the network of hydrogen bonds is also considered. Moreover, single-particle dynamics of the salt cations is studied by means of their velocity autocorrelation functions and vibrational densities of states, explicitly analyzing the influence of salt concentration, and cation charge and mass on these magnitudes. The effect of the valency of the salt cation on these properties is considered comparing the results with those for the corresponding mixtures with lithium salts. We found that the main structural and dynamic features of the local solvation of divalent cations in ionic liquids are similar to those of monovalent salts, with cations being localized in the polar nanoregions of the bulk mixture coordinated in monodentate and bidentate coordination modes by the [NO 3 ] − and [PF 6 ] − anions. However, stronger electrostatic correlations of these polar nanoregions than in mixtures with salts with monovalent cations are found. The vibrational modes of the ionic liquid (IL) are seen to be scarcely affected by the addition of the salt, and the effect of mass and charge on the vibrational densities of states of the dissolved cations is reported. Cation mass is seen to exert a deeper influence than charge on the low-frequency vibrational spectra, giving a red shift of the vibrational modes and a virtual suppression of the higher energy vibrational modes for the heavier Ca 2+ cations. No qualitative
International Nuclear Information System (INIS)
Li, Xuejin; Karniadakis, George Em; Popel, Aleksander S
2012-01-01
The motion of a suspension of red blood cells (RBCs) flowing in a Y-shaped bifurcating microfluidic channel is investigated using a validated low-dimensional RBC model based on dissipative particle dynamics. Specifically, the RBC is represented as a closed torus-like ring of ten colloidal particles, which leads to efficient simulations of blood flow in microcirculation over a wide range of hematocrits. Adaptive no-slip wall boundary conditions were implemented to model hydrodynamic flow within a specific wall structure of diverging three-dimensional microfluidic channels, paying attention to controlling density fluctuations. Plasma skimming and the all-or-nothing phenomenon of RBCs in a bifurcating microfluidic channel have been investigated in our simulations for healthy and diseased blood, including the size of a cell-free layer on the daughter branches. The feed hematocrit level in the parent channel has considerable influence on blood–plasma separation. Compared to the blood–plasma separation efficiencies of healthy RBCs, malaria-infected stiff RBCs (iRBCs) have a tendency to travel into the low flow-rate daughter branch because of their different initial distribution in the parent channel. Our simulation results are consistent with previously published experimental results and theoretical predictions. (paper)
International Nuclear Information System (INIS)
Ye, Ting; Phan-Thien, Nhan; Khoo, Boo Cheong; Lim, Chwee Teck
2014-01-01
In this paper, we report simulation results assessing the deformation and aggregation of mixed healthy and malaria-infected red blood cells (RBCs) in a tube flow. A three dimensional particle model based on Dissipative Particle Dynamics (DPD) is developed to predict the tube flow containing interacting cells. The cells are also modelled by DPD, with a Morse potential to characterize the cell-cell interaction. As validation tests, a single RBC in a tube flow and two RBCs in a static flow are simulated to examine the cell deformation and intercellular interaction, respectively. The study of two cells, one healthy and the other malaria-infected RBCs in a tube flow demonstrates that the malaria-infected RBC (in the leading position along flow direction) has different effects on the healthy RBC (in the trailing position) at the different stage of parasite development or at the different capillary number. With parasitic development, the malaria-infected RBC gradually loses its deformability, and in turn the corresponding trailing healthy RBC also deforms less due to the intercellular interaction. With increasing capillary number, both the healthy and malaria-infected RBCs are likely to undergo an axisymmetric motion. The minimum intercellular distance becomes small enough so that rouleaux is easily formed, i.e., the healthy and malaria-infected RBCs are difficultly disaggregated
Energy Technology Data Exchange (ETDEWEB)
Ye, Ting; Phan-Thien, Nhan, E-mail: Nhan@nus.edu.sg; Khoo, Boo Cheong; Lim, Chwee Teck [Department of Mechanical Engineering, National University of Singapore, Singapore 119260 (Singapore)
2014-11-15
In this paper, we report simulation results assessing the deformation and aggregation of mixed healthy and malaria-infected red blood cells (RBCs) in a tube flow. A three dimensional particle model based on Dissipative Particle Dynamics (DPD) is developed to predict the tube flow containing interacting cells. The cells are also modelled by DPD, with a Morse potential to characterize the cell-cell interaction. As validation tests, a single RBC in a tube flow and two RBCs in a static flow are simulated to examine the cell deformation and intercellular interaction, respectively. The study of two cells, one healthy and the other malaria-infected RBCs in a tube flow demonstrates that the malaria-infected RBC (in the leading position along flow direction) has different effects on the healthy RBC (in the trailing position) at the different stage of parasite development or at the different capillary number. With parasitic development, the malaria-infected RBC gradually loses its deformability, and in turn the corresponding trailing healthy RBC also deforms less due to the intercellular interaction. With increasing capillary number, both the healthy and malaria-infected RBCs are likely to undergo an axisymmetric motion. The minimum intercellular distance becomes small enough so that rouleaux is easily formed, i.e., the healthy and malaria-infected RBCs are difficultly disaggregated.
Directory of Open Access Journals (Sweden)
Lin Zhang
Full Text Available The success of recombinant virus-like particles (VLPs for human papillomavirus and hepatitis B demonstrates the potential of VLPs as safe and efficacious vaccines. With new modular designs emerging, the effects of antigen module insertion on the self-assembly and structural integrity of VLPs should be clarified so as to better enabling improved design. Previous work has revealed insights into the molecular energetics of a VLP subunit, capsomere, comparing energetics within various solution conditions known to drive or inhibit self-assembly. In the present study, molecular dynamics (MD simulations coupled with the molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA method were performed to examine the molecular interactions and energetics in a modular capsomere of a murine polyomavirus (MPV VLP designed to protect against influenza. Insertion of an influenza antigenic module is found to lower the binding energy within the capsomere, and a more active state is observed in Assembly Buffer as compared with that in Stabilization Buffer, which has been experimentally validated through measurements using differential scanning calorimetry. Further in-depth analysis based on free-energy decomposition indicates that destabilized binding can be attributed to electrostatic interaction induced by the chosen antigen module. These results provide molecular insights into the conformational stability of capsomeres and their abilities to be exploited for antigen presentation, and are expected to be beneficial for the biomolecular engineering of VLP vaccines.
Dynamics of dense particle disks
International Nuclear Information System (INIS)
Araki, S.; Tremaine, S.; Toronto Univ., Canada)
1986-01-01
The present investigation of mechanical equilibrium and collisional transport processes in dense, differentially rotating particle disks is based on the Enskog (1922) theory of dense, hard sphere gases, with the single exception that the spheres are inelastic. The viscous instability suggested as a source of Saturn B ring structure does not arise in the models presented, although the ring may be subject to a phase transition analogous to the liquid-solid transition observed in molecular dynamics simulations of elastic hard spheres. In such a case, the ring would alternately exhibit zero-shear, or solid, and high shear, or liquid, zones. 29 references
Schmidt, Irma; Minceva, Mirjana; Arlt, Wolfgang
2012-02-17
The X-ray computed tomography (CT) is used to determine local parameters related to the column packing homogeneity and hydrodynamics in columns packed with spherically and irregularly shaped particles of same size. The results showed that the variation of porosity and axial dispersion coefficient along the column axis is insignificant, compared to their radial distribution. The methodology of using the data attained by CT measurements to perform a CFD simulation of a batch separation of model binary mixtures, with different concentration and separation factors is demonstrated. The results of the CFD simulation study show that columns packed with spherically shaped particles provide higher yield in comparison to columns packed with irregularly shaped particles only below a certain value of the separation factor. The presented methodology can be used for selecting a suited packing material for a particular separation task. Copyright © 2012 Elsevier B.V. All rights reserved.
Nonlinear dynamics aspects of particle accelerators
International Nuclear Information System (INIS)
Jowett, J.M.; Turner, S.; Month, M.
1986-01-01
These proceedings contain the lectures presented at the named winter school. They deal with the application of dynamical systems to accelerator theory. Especially considered are the statistical description of charged-beam plasmas, integrable and nonintegrable Hamiltonian systems, single particle dynamics and nonlinear resonances in circular accelerators, nonlinear dynamics aspects of modern storage rings, nonlinear beam-beam resonances, synchro-betatron resonances, observations of the beam-beam interactions, the dynamics of the beam-beam interactions, beam-beam simulations, the perturbation method in nonlinear dynamics, theories of statistical equilibrium in electron-positron storage rings, nonlinear dissipative phenomena in electron storage rings, the dynamical aperture, the transition to chaos for area-preserving maps, special processors for particle tracking, algorithms for tracking of charged particles in circular accelerators, the breakdown of stability, and a personal perspective of nonlinear dynamics. (HSI)
Nonlinear dynamics aspects of particle accelerators. Proceedings
Energy Technology Data Exchange (ETDEWEB)
Jowett, J M; Turner, S; Month, M
1986-01-01
These proceedings contain the lectures presented at the named winter school. They deal with the application of dynamical systems to accelerator theory. Especially considered are the statistical description of charged-beam plasmas, integrable and nonintegrable Hamiltonian systems, single particle dynamics and nonlinear resonances in circular accelerators, nonlinear dynamics aspects of modern storage rings, nonlinear beam-beam resonances, synchro-betatron resonances, observations of the beam-beam interactions, the dynamics of the beam-beam interactions, beam-beam simulations, the perturbation method in nonlinear dynamics, theories of statistical equilibrium in electron-positron storage rings, nonlinear dissipative phenomena in electron storage rings, the dynamical aperture, the transition to chaos for area-preserving maps, special processors for particle tracking, algorithms for tracking of charged particles in circular accelerators, the breakdown of stability, and a personal perspective of nonlinear dynamics. (HSI).
Bmad: A relativistic charged particle simulation library
International Nuclear Information System (INIS)
Sagan, D.
2006-01-01
Bmad is a subroutine library for simulating relativistic charged particle beams in high-energy accelerators and storage rings. Bmad can be used to study both single and multi-particle beam dynamics using routines to track both particles and macroparticles. Bmad has various tracking algorithms including Runge-Kutta and symplectic (Lie algebraic) integration. Various effects such as wakefields, and radiation excitation and damping can be simulated. Bmad has been developed in a modular, object-oriented fashion to maximize flexibility. Interface routines allow Bmad to be called from C/C++ as well as Fortran programs. Bmad is well documented. Every routine is individually annotated, and there is an extensive manual
Hariharan, Prasanna; Giarra, Matthew; Reddy, Varun; Day, Steven W; Manning, Keefe B; Deutsch, Steven; Stewart, Sandy F C; Myers, Matthew R; Berman, Michael R; Burgreen, Greg W; Paterson, Eric G; Malinauskas, Richard A
2011-04-01
This study is part of a FDA-sponsored project to evaluate the use and limitations of computational fluid dynamics (CFD) in assessing blood flow parameters related to medical device safety. In an interlaboratory study, fluid velocities and pressures were measured in a nozzle model to provide experimental validation for a companion round-robin CFD study. The simple benchmark nozzle model, which mimicked the flow fields in several medical devices, consisted of a gradual flow constriction, a narrow throat region, and a sudden expansion region where a fluid jet exited the center of the nozzle with recirculation zones near the model walls. Measurements of mean velocity and turbulent flow quantities were made in the benchmark device at three independent laboratories using particle image velocimetry (PIV). Flow measurements were performed over a range of nozzle throat Reynolds numbers (Re(throat)) from 500 to 6500, covering the laminar, transitional, and turbulent flow regimes. A standard operating procedure was developed for performing experiments under controlled temperature and flow conditions and for minimizing systematic errors during PIV image acquisition and processing. For laminar (Re(throat)=500) and turbulent flow conditions (Re(throat)≥3500), the velocities measured by the three laboratories were similar with an interlaboratory uncertainty of ∼10% at most of the locations. However, for the transitional flow case (Re(throat)=2000), the uncertainty in the size and the velocity of the jet at the nozzle exit increased to ∼60% and was very sensitive to the flow conditions. An error analysis showed that by minimizing the variability in the experimental parameters such as flow rate and fluid viscosity to less than 5% and by matching the inlet turbulence level between the laboratories, the uncertainties in the velocities of the transitional flow case could be reduced to ∼15%. The experimental procedure and flow results from this interlaboratory study (available
Molecular dynamics simulations
International Nuclear Information System (INIS)
Alder, B.J.
1985-07-01
The molecular dynamics computer simulation discovery of the slow decay of the velocity autocorrelation function in fluids is briefly reviewed in order to contrast that long time tail with those observed for the stress autocorrelation function in fluids and the velocity autocorrelation function in the Lorentz gas. For a non-localized particle in the Lorentz gas it is made plausible that even if it behaved quantum mechanically its long time tail would be the same as the classical one. The generalization of Fick's law for diffusion for the Lorentz gas, necessary to avoid divergences due to the slow decay of correlations, is presented. For fluids, that generalization has not yet been established, but the region of validity of generalized hydrodynamics is discussed. 20 refs., 5 figs
Linac particle tracing simulations
International Nuclear Information System (INIS)
Lysenko, W.P.
1979-01-01
A particle tracing code was developed to study space--charge effects in proton or heavy-ion linear accelerators. The purpose is to study space--charge phenomena as directly as possible without the complications of many accelerator details. Thus, the accelerator is represented simply by harmonic oscillator or impulse restoring forces. Variable parameters as well as mismatched phase--space distributions were studied. This study represents the initial search for those features of the accelerator or of the phase--space distribution that lead to emittance growth
International Nuclear Information System (INIS)
Siemens, P.J.; Jensen, A.S.
1985-01-01
It is shown that the opening of the 3-quasiparticle continuum at 3Δ sets the energy scale for the enhancement of the effective mass near the Fermi surface of nuclei. The authors argue that the spreading width of single-particle states due to coupling with low-lying collective modes is qualitatively different from the two-body collision mechanism, and contributes little to the single-particle lifetime in the sense of the optical model. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Okada, Kazuya [School of Akita Prefectural University, Yurihonjo (Japan); Satoh, Akira, E-mail: asatoh@akita-pu.ac.jp [Department of Machine Intelligence and System Engineering, Akita Prefectural University, Yurihonjo (Japan)
2017-09-01
Highlights: • Monte Carlo simulations have been employed for the aggregate structures. • Brownian dynamics simulations have been employed for the magneto-rheology. • Even a weak shear flow induces a significant regime change in the aggregates. • A strong external magnetic field drastically changes the aggregates. • The dependence of the viscosity on these factors is governed in a complex manner. - Abstract: In the present study, we address a suspension composed ferromagnetic rod-like particles to elucidate a regime change in the aggregate structures and the magneto-rheological characteristics. Monte Carlo simulations have been employed for investigating the aggregate structures in thermodynamic equilibrium, and Brownian dynamics simulations for magneto-rheological features in a simple shear flow. The main results obtained here are summarized as follows. For the case of thermodynamic equilibrium, the rod-like particles aggregate to form thick chain-like clusters and the neighboring clusters incline in opposite directions. If the external magnetic field is increased, the thick chain-like clusters in the magnetic field direction grow thicker by adsorbing the neighboring clusters that incline in the opposite direction. Hence, a significant phase change in the particle aggregates is not induced by an increase in the magnetic field strength. For the case of a simple shear flow, even a weak shear flow induces a significant regime change from the thick chain-like clusters of thermodynamic equilibrium into wall-like aggregates composed of short raft-like clusters. A strong external magnetic field drastically changes these aggregates into wall-like aggregates composed of thick chain-like clusters rather than the short raft-like clusters. The internal structure of these aggregates is not strongly influenced by a shear flow, and the formation of the short raft-like clusters is maintained inside the aggregates. The main contribution to the net viscosity is the
Dynamics of neutral and charged aerosol particles
Energy Technology Data Exchange (ETDEWEB)
Leppae, J.
2012-07-01
Atmospheric aerosol particles have various climate effects and adverse health effects, which both depend on the size and number concentration of the particles. Freshly-formed particles are not large enough to impact neither health nor climate and they are most susceptible to removal by collisions with larger pre-existing particles. Consequently, the knowledge of both the formation and the growth rate of particles are crucially important when assessing the health and climate effects of atmospheric new particle formation. The purpose of this thesis is to increase our knowledge of the dynamics of neutral and charged aerosol particles with a specific interest towards the particle growth rate and processes affecting the aerosol charging state. A new model, Ion-UHMA, which simulates the dynamics of neutral and charged particles, was developed for this purpose. Simple analytical formulae that can be used to estimate the growth rate due to various processes were derived and used to study the effects of charged particles on the growth rate. It was found that the growth rate of a freshly-formed particle population due to condensation and coagulation could be significantly increased when a considerable fraction of the particles are charged. Finally, recent data-analysis methods that have been applied to the aerosol charging states obtained from the measurements were modified for a charge asymmetric framework. The methods were then tested on data obtained from aerosol dynamics simulations. The methods were found to be able to provide reasonable estimates on the growth rate and proportion of particles formed via ion-induced nucleation, provided that the growth rate is high enough and that the charged particles do not grow much more rapidly than the neutral ones. A simple procedure for estimating whether the methods are suitable for analysing data obtained in specific conditions was provided. In this thesis, the dynamics of neutral and charged aerosol particles were studied in
International Nuclear Information System (INIS)
Filipovic, N; Haber, S; Kojic, M; Tsuda, A
2008-01-01
Traditional DPD methods address dissipative and random forces exerted along the line connecting neighbouring particles. Espanol (1998 Phys. Rev. E 57 2930-48) suggested adding dissipative and random force components in a direction perpendicular to this line. This paper focuses on the advantages and disadvantages of such an addition as compared with the traditional DPD method. Our benchmark system comprises fluid initially at rest occupying the space between two concentric cylinders rotating with various angular velocities. The effect of the lateral force components on the time evolution of the simulated velocity profile was also compared with that of the known analytical solution. The results show that (i) the solution accuracy at steady state has improved and the error has been reduced by at least 30% (in one case by 75%), (ii) the DPD time to reach steady state has been halved, (iii) the CPU time has increased by only 30%, and (iv) no significant differences exist in density and temperature distributions
Plasma physics via particle simulation
International Nuclear Information System (INIS)
Birdsall, C.K.
1981-01-01
Plasmas are studied by following the motion of many particles in applied and self fields, analytically, experimentally and computationally. Plasmas for magnetic fusion energy devices are very hot, nearly collisionless and magnetized, with scale lengths of many ion gyroradii and Debye lengths. The analytic studies of such plasmas are very difficult as the plasma is nonuniform, anisotropic and nonlinear. The experimental studies have become very expensive in time and money, as the size, density and temperature approach fusion reactor values. Computational studies using many particles and/or fluids have complemented both theories and experiments for many years and have progressed to fully three dimensional electromagnetic models, albeit with hours of running times on the fastest largest computers. Particle simulation methods are presented in some detail, showing particle advance from acceleration to velocity to position, followed by calculation of the fields from charge and current densities and then further particle advance, and so on. Limitations due to the time stepping and use of a spatial grid are given, to avoid inaccuracies and instabilities. Examples are given for an electrostatic program in one dimension of an orbit averaging program, and for a three dimensional electromagnetic program. Applications of particle simulations of plasmas in magnetic and inertial fusion devices continue to grow, as well as to plasmas and beams in peripheral devices, such as sources, accelerators, and converters. (orig.)
Gyrokinetic particle simulation of neoclassical transport
International Nuclear Information System (INIS)
Lin, Z.; Tang, W.M.; Lee, W.W.
1995-01-01
A time varying weighting (δf ) scheme for gyrokinetic particle simulation is applied to a steady-state, multispecies simulation of neoclassical transport. Accurate collision operators conserving momentum and energy are developed and implemented. Simulation results using these operators are found to agree very well with neoclassical theory. For example, it is dynamically demonstrated that like-particle collisions produce no particle flux and that the neoclassical fluxes are ambipolar for an ion--electron plasma. An important physics feature of the present scheme is the introduction of toroidal flow to the simulations. Simulation results are in agreement with the existing analytical neoclassical theory. The poloidal electric field associated with toroidal mass flow is found to enhance density gradient-driven electron particle flux and the bootstrap current while reducing temperature gradient-driven flux and current. Finally, neoclassical theory in steep gradient profile relevant to the edge regime is examined by taking into account finite banana width effects. In general, in the present work a valuable new capability for studying important aspects of neoclassical transport inaccessible by conventional analytical calculation processes is demonstrated. copyright 1995 American Institute of Physics
IFR code for secondary particle dynamics
International Nuclear Information System (INIS)
Teague, M.R.; Yu, S.S.
1985-01-01
A numerical simulation has been constructed to obtain a detailed, quantitative estimate of the electromagnetic fields and currents existing in the Advanced Test Accelerator under conditions of laser guiding. The code treats the secondary electrons by particle simulation and the beam dynamics by a time-dependent envelope model. The simulation gives a fully relativistic description of secondary electrons moving in self-consistent electromagnetic fields. The calculations are made using coordinates t, x, y, z for the electrons and t, ct-z, r for the axisymmetric electromagnetic fields and currents. Code results, showing in particular current enhancement effects, will be given
Deformation and fracture behavior of simulated particle gels
Rzepiela, A.A.
2003-01-01
In this PhD project rheological properties of model particle gels are investigated using Brownian Dynamics (BD) simulations. Particle gels are systems of colloidal particles that form weakly bonded percolating networks interpenetrated by a suspending fluid. They are characterized as
Microscopic Simulation of Particle Detectors
Schindler, Heinrich
Detailed computer simulations are indispensable tools for the development and optimization of modern particle detectors. The interaction of particles with the sensitive medium, giving rise to ionization or excitation of atoms, is stochastic by its nature. The transport of the resulting photons and charge carriers, which eventually generate the observed signal, is also subject to statistical fluctuations. Together with the readout electronics, these processes - which are ultimately governed by the atomic cross-sections for the respective interactions - pose a fundamental limit to the achievable detector performance. Conventional methods for calculating electron drift lines based on macroscopic transport coefficients used to provide an adequate description for traditional gas-based particle detectors such as wire chambers. However, they are not suitable for small-scale devices such as micropattern gas detectors, which have significantly gained importance in recent years. In this thesis, a novel approach, bas...
Dynamical stability of slip-stacking particles
Energy Technology Data Exchange (ETDEWEB)
Eldred, Jeffrey; Zwaska, Robert
2014-09-01
We study the stability of particles in slip-stacking configuration, used to nearly double proton beam intensity at Fermilab. We introduce universal area factors to calculate the available phase space area for any set of beam parameters without individual simulation. We find perturbative solutions for stable particle trajectories. We establish Booster beam quality requirements to achieve 97% slip-stacking efficiency. We show that slip-stacking dynamics directly correspond to the driven pendulum and to the system of two standing-wave traps moving with respect to each other.
Simulation of halo particles with Simpsons
International Nuclear Information System (INIS)
Machida, Shinji
2003-01-01
Recent code improvements and some simulation results of halo particles with Simpsons will be presented. We tried to identify resonance behavior of halo particles by looking at tune evolution of individual macro particle
Simulation of halo particles with Simpsons
Machida, Shinji
2003-12-01
Recent code improvements and some simulation results of halo particles with Simpsons will be presented. We tried to identify resonance behavior of halo particles by looking at tune evolution of individual macro particle.
Nonlinear dynamics in particle accelerators
Dilão, Rui
1996-01-01
This book is an introductory course to accelerator physics at the level of graduate students. It has been written for a large audience which includes users of accelerator facilities, accelerator physicists and engineers, and undergraduates aiming to learn the basic principles of construction, operation and applications of accelerators.The new concepts of dynamical systems developed in the last twenty years give the theoretical setting to analyse the stability of particle beams in accelerator. In this book a common language to both accelerator physics and dynamical systems is integrated and dev
Particle Filter Tracking without Dynamics
Directory of Open Access Journals (Sweden)
Jaime Ortegon-Aguilar
2007-01-01
Full Text Available People tracking is an interesting topic in computer vision. It has applications in industrial areas such as surveillance or human-machine interaction. Particle Filters is a common algorithm for people tracking; challenging situations occur when the target's motion is poorly modelled or with unexpected motions. In this paper, an alternative to address people tracking is presented. The proposed algorithm is based in particle filters, but instead of using a dynamical model, it uses background subtraction to predict future locations of particles. The algorithm is able to track people in omnidirectional sequences with a low frame rate (one or two frames per second. Our approach can tackle unexpected discontinuities and changes in the direction of the motion. The main goal of the paper is to track people from laboratories, but it has applications in surveillance, mainly in controlled environments.
Interactive Dynamic-System Simulation
Korn, Granino A
2010-01-01
Showing you how to use personal computers for modeling and simulation, Interactive Dynamic-System Simulation, Second Edition provides a practical tutorial on interactive dynamic-system modeling and simulation. It discusses how to effectively simulate dynamical systems, such as aerospace vehicles, power plants, chemical processes, control systems, and physiological systems. Written by a pioneer in simulation, the book introduces dynamic-system models and explains how software for solving differential equations works. After demonstrating real simulation programs with simple examples, the author
Understanding bulk behavior of particulate materials from particle scale simulations
Deng, Xiaoliang
Particulate materials play an increasingly significant role in various industries, such as pharmaceutical manufacturing, food, mining, and civil engineering. The objective of this research is to better understand bulk behaviors of particulate materials from particle scale simulations. Packing properties of assembly of particles are investigated first, focusing on the effects of particle size, surface energy, and aspect ratio on the coordination number, porosity, and packing structures. The simulation results show that particle sizes, surface energy, and aspect ratio all influence the porosity of packing to various degrees. The heterogeneous force networks within particle assembly under external compressive loading are investigated as well. The results show that coarse-coarse contacts dominate the strong network and coarse-fine contacts dominate the total network. Next, DEM models are developed to simulate the particle dynamics inside a conical screen mill (comil) and magnetically assisted impaction mixer (MAIM), both are important particle processing devices. For comil, the mean residence time (MRT), spatial distribution of particles, along with the collision dynamics between particles as well as particle and vessel geometries are examined as a function of the various operating parameters such as impeller speed, screen hole size, open area, and feed rate. The simulation results can help better understand dry coating experimental results using comil. For MAIM system, the magnetic force is incorporated into the contact model, allowing to describe the interactions between magnets. The simulation results reveal the connections between homogeneity of mixture and particle scale variables such as size of magnets and surface energy of non-magnets. In particular, at the fixed mass ratio of magnets to non-magnets and surface energy the smaller magnets lead to better homogeneity of mixing, which is in good agreement with previously published experimental results. Last but not
Simulation of quantum dynamics with integrated photonics
Sansoni, Linda; Sciarrino, Fabio; Mataloni, Paolo; Crespi, Andrea; Ramponi, Roberta; Osellame, Roberto
2012-12-01
In recent years, quantum walks have been proposed as promising resources for the simulation of physical quantum systems. In fact it is widely adopted to simulate quantum dynamics. Up to now single particle quantum walks have been experimentally demonstrated by different approaches, while only few experiments involving many-particle quantum walks have been realized. Here we simulate the 2-particle dynamics on a discrete time quantum walk, built on an array of integrated waveguide beam splitters. The polarization independence of the quantum walk circuit allowed us to exploit the polarization entanglement to encode the symmetry of the two-photon wavefunction, thus the bunching-antibunching behavior of non interacting bosons and fermions has been simulated. We have also characterized the possible distinguishability and decoherence effects arising in such a structure. This study is necessary in view of the realization of a quantum simulator based on an integrated optical array built on a large number of beam splitters.
Hydrodynamic relaxations in dissipative particle dynamics
Hansen, J. S.; Greenfield, Michael L.; Dyre, Jeppe C.
2018-01-01
This paper studies the dynamics of relaxation phenomena in the standard dissipative particle dynamics (DPD) model [R. D. Groot and P. B. Warren, J. Chem. Phys. 107, 4423 (1997)]. Using fluctuating hydrodynamics as the framework of the investigation, we focus on the collective transverse and longitudinal dynamics. It is shown that classical hydrodynamic theory predicts the transverse dynamics at relatively low temperatures very well when compared to simulation data; however, the theory predictions are, on the same length scale, less accurate for higher temperatures. The agreement with hydrodynamics depends on the definition of the viscosity, and here we find that the transverse dynamics are independent of the dissipative and random shear force contributions to the stress. For high temperatures, the spectrum for the longitudinal dynamics is dominated by the Brillouin peak for large length scales and the relaxation is therefore governed by sound wave propagation and is athermal. This contrasts the results at lower temperatures and small length scale, where the thermal process is clearly present in the spectra. The DPD model, at least qualitatively, re-captures the underlying hydrodynamical mechanisms, and quantitative agreement is excellent at intermediate temperatures for the transverse dynamics.
Foundations of relational particle dynamics
International Nuclear Information System (INIS)
Anderson, Edward
2008-01-01
Relational particle dynamics include the dynamics of pure shape and cases in which absolute scale or absolute rotation are additionally meaningful. These are interesting as regards the absolute versus relative motion debate as well as the discussion of conceptual issues connected with the problem of time in quantum gravity. In spatial dimensions 1 and 2, the relative configuration spaces of shapes are n-spheres and complex projective spaces, from which knowledge I construct natural mechanics on these spaces. I also show that these coincide with Barbour's indirectly constructed relational dynamics by performing a full reduction on the latter. Then the identification of the configuration spaces as n-spheres and complex projective spaces, for which spaces much mathematics is available, significantly advances the understanding of Barbour's relational theory in spatial dimensions 1 and 2. I also provide the parallel study of a new theory for which the position and scale are purely relative but the orientation is absolute. The configuration space for this is an n-sphere regardless of the spatial dimension, which renders this theory a more tractable arena for investigation of implications of scale invariance than Barbour's theory itself
Dynamics and statistics of heavy particles in turbulent flows
Cencini, M.; Bec, J.; Biferale, L.; Boffetta, G.; Celani, A.; Lanotte, A.; Musacchio, S.; Toschi, F.
2006-01-01
We present the results of direct numerical simulations (DNS) of turbulent flows seeded with millions of passive inertial particles. The maximum Reynolds number is Re¿~ 200. We consider particles much heavier than the carrier flow in the limit when the Stokes drag force dominates their dynamical
Parallelization of quantum molecular dynamics simulation code
International Nuclear Information System (INIS)
Kato, Kaori; Kunugi, Tomoaki; Shibahara, Masahiko; Kotake, Susumu
1998-02-01
A quantum molecular dynamics simulation code has been developed for the analysis of the thermalization of photon energies in the molecule or materials in Kansai Research Establishment. The simulation code is parallelized for both Scalar massively parallel computer (Intel Paragon XP/S75) and Vector parallel computer (Fujitsu VPP300/12). Scalable speed-up has been obtained with a distribution to processor units by division of particle group in both parallel computers. As a result of distribution to processor units not only by particle group but also by the particles calculation that is constructed with fine calculations, highly parallelization performance is achieved in Intel Paragon XP/S75. (author)
Electromagnetic ''particle-in-cell'' plasma simulation
International Nuclear Information System (INIS)
Langdon, A.B.
1985-01-01
''PIC'' simulation tracks particles through electromagnetic fields calculated self-consistently from the charge and current densities of the particles themselves, external sources, and boundaries. Already used extensively in plasma physics, such simulations have become useful in the design of accelerators and their r.f. sources. 5 refs
Monte carlo simulation for soot dynamics
Zhou, Kun
2012-01-01
A new Monte Carlo method termed Comb-like frame Monte Carlo is developed to simulate the soot dynamics. Detailed stochastic error analysis is provided. Comb-like frame Monte Carlo is coupled with the gas phase solver Chemkin II to simulate soot formation in a 1-D premixed burner stabilized flame. The simulated soot number density, volume fraction, and particle size distribution all agree well with the measurement available in literature. The origin of the bimodal distribution of particle size distribution is revealed with quantitative proof.
Indeterminism in Classical Dynamics of Particle Motion
Eyink, Gregory; Vishniac, Ethan; Lalescu, Cristian; Aluie, Hussein; Kanov, Kalin; Burns, Randal; Meneveau, Charles; Szalay, Alex
2013-03-01
We show that ``God plays dice'' not only in quantum mechanics but also in the classical dynamics of particles advected by turbulent fluids. With a fixed deterministic flow velocity and an exactly known initial position, the particle motion is nevertheless completely unpredictable! In analogy with spontaneous magnetization in ferromagnets which persists as external field is taken to zero, the particle trajectories in turbulent flow remain random as external noise vanishes. The necessary ingredient is a rough advecting field with a power-law energy spectrum extending to smaller scales as noise is taken to zero. The physical mechanism of ``spontaneous stochasticity'' is the explosive dispersion of particle pairs proposed by L. F. Richardson in 1926, so the phenomenon should be observable in laboratory and natural turbulent flows. We present here the first empirical corroboration of these effects in high Reynolds-number numerical simulations of hydrodynamic and magnetohydrodynamic fluid turbulence. Since power-law spectra are seen in many other systems in condensed matter, geophysics and astrophysics, the phenomenon should occur rather widely. Fast reconnection in solar flares and other astrophysical systems can be explained by spontaneous stochasticity of magnetic field-line motion
Visualization of particle in cell simulation
International Nuclear Information System (INIS)
Chen Ming; Cheng Yinhui
2003-01-01
This paper is trying to provide a new technique of the visualization for the Particle In Cell simulation, which takes effect by using the MATLAB external interface, so the real-time obsevation of particles came easier and more efficient. With this method, state of the particles, considered as 'particle cloud' can be found in the image produced automatically and their movement can be predicted. (authors)
DEFF Research Database (Denmark)
Lauros, J.; Sogachev, Andrey; Smolander, S.
2011-01-01
the atmospheric boundary layer during nucleation event days shows a highly dynamical picture, where particle formation is coupled with chemistry and turbulent transport. We have demonstrated the suitability of our turbulent mixing scheme in reproducing the most important characteristics of particle dynamics...... within the boundary layer. Deposition and particle flux simulations show that deposition affects noticeably only the smallest particles...
Data parallel sorting for particle simulation
Dagum, Leonardo
1992-01-01
Sorting on a parallel architecture is a communications intensive event which can incur a high penalty in applications where it is required. In the case of particle simulation, only integer sorting is necessary, and sequential implementations easily attain the minimum performance bound of O (N) for N particles. Parallel implementations, however, have to cope with the parallel sorting problem which, in addition to incurring a heavy communications cost, can make the minimun performance bound difficult to attain. This paper demonstrates how the sorting problem in a particle simulation can be reduced to a merging problem, and describes an efficient data parallel algorithm to solve this merging problem in a particle simulation. The new algorithm is shown to be optimal under conditions usual for particle simulation, and its fieldwise implementation on the Connection Machine is analyzed in detail. The new algorithm is about four times faster than a fieldwise implementation of radix sort on the Connection Machine.
Simulations of flame generated particles
Patterson, Robert
2016-01-05
The nonlinear structure of the equations describing the evolution of a population of coagulating particles in a flame make the use of stochastic particle methods attractive for numerical purposes. I will present an analysis of the stochastic fluctuations inherent in these numerical methods leading to an efficient sampling technique for steady-state problems. I will also give some examples where stochastic particle methods have been used to explore the effect of uncertain parameters in soot formation models. In conclusion I will try to indicate some of the issues in optimising these methods for the study of uncertain model parameters.
Simulations of flame generated particles
Patterson, Robert
2016-01-01
The nonlinear structure of the equations describing the evolution of a population of coagulating particles in a flame make the use of stochastic particle methods attractive for numerical purposes. I will present an analysis of the stochastic fluctuations inherent in these numerical methods leading to an efficient sampling technique for steady-state problems. I will also give some examples where stochastic particle methods have been used to explore the effect of uncertain parameters in soot formation models. In conclusion I will try to indicate some of the issues in optimising these methods for the study of uncertain model parameters.
Dynamically redundant particle components in mixtures
International Nuclear Information System (INIS)
Lukacs, B.; Martinas, K.
1984-10-01
Examples are shown for cases in which the number of different kinds of particles in a system is not necessarily equal to the number of particle degrees of freedom in thermodynamical sense, and at the same time, the observed dynamics of the evolution of the system does not indicate a definite number of degrees of freedeom. The possibility for introducing dynamically redundant particles is discussed. (author)
Monte Carlo Simulation for Particle Detectors
Pia, Maria Grazia
2012-01-01
Monte Carlo simulation is an essential component of experimental particle physics in all the phases of its life-cycle: the investigation of the physics reach of detector concepts, the design of facilities and detectors, the development and optimization of data reconstruction software, the data analysis for the production of physics results. This note briefly outlines some research topics related to Monte Carlo simulation, that are relevant to future experimental perspectives in particle physics. The focus is on physics aspects: conceptual progress beyond current particle transport schemes, the incorporation of materials science knowledge relevant to novel detection technologies, functionality to model radiation damage, the capability for multi-scale simulation, quantitative validation and uncertainty quantification to determine the predictive power of simulation. The R&D on simulation for future detectors would profit from cooperation within various components of the particle physics community, and synerg...
Particle-in-cell simulations of Hall plasma thrusters
Miranda, Rodrigo; Ferreira, Jose Leonardo; Martins, Alexandre
2016-07-01
Hall plasma thrusters can be modelled using particle-in-cell (PIC) simulations. In these simulations, the plasma is described by a set of equations which represent a coupled system of charged particles and electromagnetic fields. The fields are computed using a spatial grid (i.e., a discretization in space), whereas the particles can move continuously in space. Briefly, the particle and fields dynamics are computed as follows. First, forces due to electric and magnetic fields are employed to calculate the velocities and positions of particles. Next, the velocities and positions of particles are used to compute the charge and current densities at discrete positions in space. Finally, these densities are used to solve the electromagnetic field equations in the grid, which are interpolated at the position of the particles to obtain the acting forces, and restart this cycle. We will present numerical simulations using software for PIC simulations to study turbulence, wave and instabilities that arise in Hall plasma thrusters. We have sucessfully reproduced a numerical simulation of a SPT-100 Hall thruster using a two-dimensional (2D) model. In addition, we are developing a 2D model of a cylindrical Hall thruster. The results of these simulations will contribute to improve the performance of plasma thrusters to be used in Cubesats satellites currenty in development at the Plasma Laboratory at University of Brasília.
Micromagnetic simulations of spinel ferrite particles
International Nuclear Information System (INIS)
Dantas, Christine C.; Gama, Adriana M.
2010-01-01
This paper presents the results of simulations of the magnetization field ac response (at 2-12 GHz) of various submicron ferrite particles (cylindrical dots). The ferrites in the present simulations have the spinel structure, expressed here by M 1 - n Zn n Fe 2 O 4 (where M stands for a divalent metal), and the parameters chosen were the following: (a) for n=0: M={Fe, Mn, Co, Ni, Mg, Cu }; (b) for n=0.1: M = {Fe, Mg} (mixed ferrites). These runs represent full 3D micromagnetic (one-particle) ferrite simulations. We find evidences of confined spin waves in all simulations, as well as a complex behavior nearby the main resonance peak in the case of the M = {Mg, Cu} ferrites. A comparison of the n=0 and n=0.1 cases for fixed M reveals a significant change in the spectra in M = Mg ferrites, but only a minor change in the M=Fe case. An additional larger scale simulation of a 3 by 3 particle array was performed using similar conditions of the Fe 3 O 4 (magnetite; n=0, M = Fe) one-particle simulation. We find that the main resonance peak of the Fe 3 O 4 one-particle simulation is disfigured in the corresponding 3 by 3 particle simulation, indicating the extent to which dipolar interactions are able to affect the main resonance peak in that magnetic compound.
Parallel beam dynamics simulation of linear accelerators
International Nuclear Information System (INIS)
Qiang, Ji; Ryne, Robert D.
2002-01-01
In this paper we describe parallel particle-in-cell methods for the large scale simulation of beam dynamics in linear accelerators. These techniques have been implemented in the IMPACT (Integrated Map and Particle Accelerator Tracking) code. IMPACT is being used to study the behavior of intense charged particle beams and as a tool for the design of next-generation linear accelerators. As examples, we present applications of the code to the study of emittance exchange in high intensity beams and to the study of beam transport in a proposed accelerator for the development of accelerator-driven waste transmutation technologies
A collision model in plasma particle simulations
International Nuclear Information System (INIS)
Ma Yanyun; Chang Wenwei; Yin Yan; Yue Zongwu; Cao Lihua; Liu Daqing
2000-01-01
In order to offset the collisional effects reduced by using finite-size particles, β particle clouds are used in particle simulation codes (β is the ratio of charge or mass of modeling particles to real ones). The method of impulse approximation (strait line orbit approximation) is used to analyze the scattering cross section of β particle clouds plasmas. The authors can obtain the relation of the value of a and β and scattering cross section (a is the radius of β particle cloud). By using this relation the authors can determine the value of a and β so that the collisional effects of the modeling system is correspondent with the real one. The authors can also adjust the values of a and β so that the authors can enhance or reduce the collisional effects fictitiously. The results of simulation are in good agreement with the theoretical ones
Static and dynamic properties of smoothed dissipative particle dynamics
Alizadehrad, Davod; Fedosov, Dmitry A.
2018-03-01
In this paper, static and dynamic properties of the smoothed dissipative particle dynamics (SDPD) method are investigated. We study the effect of method parameters on SDPD fluid properties, such as structure, speed of sound, and transport coefficients, and show that a proper choice of parameters leads to a well-behaved and accurate fluid model. In particular, the speed of sound, the radial distribution function (RDF), shear-thinning of viscosity, the mean-squared displacement (〈R2 〉 ∝ t), and the Schmidt number (Sc ∼ O (103) - O (104)) can be controlled, such that the model exhibits a fluid-like behavior for a wide range of temperatures in simulations. Furthermore, in addition to the consideration of fluid density variations for fluid compressibility, a more challenging test of incompressibility is performed by considering the Poisson ratio and divergence of velocity field in an elongational flow. Finally, as an example of complex-fluid flow, we present the applicability and validity of the SDPD method with an appropriate choice of parameters for the simulation of cellular blood flow in irregular geometries. In conclusion, the results demonstrate that the SDPD method is able to approximate well a nearly incompressible fluid behavior, which includes hydrodynamic interactions and consistent thermal fluctuations, thereby providing, a powerful approach for simulations of complex mesoscopic systems.
Comparison of GPU-Based Numerous Particles Simulation and Experiment
International Nuclear Information System (INIS)
Park, Sang Wook; Jun, Chul Woong; Sohn, Jeong Hyun; Lee, Jae Wook
2014-01-01
The dynamic behavior of numerous grains interacting with each other can be easily observed. In this study, this dynamic behavior was analyzed based on the contact between numerous grains. The discrete element method was used for analyzing the dynamic behavior of each particle and the neighboring-cell algorithm was employed for detecting their contact. The Hertzian and tangential sliding friction contact models were used for calculating the contact force acting between the particles. A GPU-based parallel program was developed for conducting the computer simulation and calculating the numerous contacts. The dam break experiment was performed to verify the simulation results. The reliability of the program was verified by comparing the results of the simulation with those of the experiment
Simulation of particle suspensions at the Institute for Computational Physics
Harting, J.D.R.; Hecht, M.; Herrmann, H.J.; Nagel, W.E.; Jäger, W.; Resch, M.M.
2006-01-01
In this report we describe some of our projects related to the simulation of particle-laden flows. We give a short introduction to the topic and the methods used, namely the Stochastic Rotation Dynamics and the lattice Boltzmann method. Then, we show results from our work related to the behaviour of
Global Particle-in-Cell Simulations of Mercury's Magnetosphere
Schriver, D.; Travnicek, P. M.; Lapenta, G.; Amaya, J.; Gonzalez, D.; Richard, R. L.; Berchem, J.; Hellinger, P.
2017-12-01
Spacecraft observations of Mercury's magnetosphere have shown that kinetic ion and electron particle effects play a major role in the transport, acceleration, and loss of plasma within the magnetospheric system. Kinetic processes include reconnection, the breakdown of particle adiabaticity and wave-particle interactions. Because of the vast range in spatial scales involved in magnetospheric dynamics, from local electron Debye length scales ( meters) to solar wind/planetary magnetic scale lengths (tens to hundreds of planetary radii), fully self-consistent kinetic simulations of a global planetary magnetosphere remain challenging. Most global simulations of Earth's and other planet's magnetosphere are carried out using MHD, enhanced MHD (e.g., Hall MHD), hybrid, or a combination of MHD and particle in cell (PIC) simulations. Here, 3D kinetic self-consistent hybrid (ion particle, electron fluid) and full PIC (ion and electron particle) simulations of the solar wind interaction with Mercury's magnetosphere are carried out. Using the implicit PIC and hybrid simulations, Mercury's relatively small, but highly kinetic magnetosphere will be examined to determine how the self-consistent inclusion of electrons affects magnetic reconnection, particle transport and acceleration of plasma at Mercury. Also the spatial and energy profiles of precipitating magnetospheric ions and electrons onto Mercury's surface, which can strongly affect the regolith in terms of space weathering and particle outflow, will be examined with the PIC and hybrid codes. MESSENGER spacecraft observations are used both to initiate and validate the global kinetic simulations to achieve a deeper understanding of the role kinetic physics play in magnetospheric dynamics.
Solar energetic particles: observational studies and magnetohydrodynamic simulation
International Nuclear Information System (INIS)
Masson, S.
2010-10-01
Solar activity manifests itself through highly dynamical events, such as flares and coronal mass ejections, which result in energy release by magnetic reconnection. This thesis focuses on two manifestations of this energy release: solar energetic particles and dynamics of magnetic reconnection. The first part of my work consists in the detailed temporal analysis of several electromagnetic signatures, produced by energetic particles in the solar atmosphere, with respect to the energetic particle flux at Earth. Using multi-instrument observations, I highlighted that particles can be accelerated by the flare to relativistic energies during a specific episode of acceleration in the impulsive phase. This showed that particles traveled a longer path length than the theoretical length generally assumed. Using in-situ measurements of magnetic field and plasma, I identified the interplanetary magnetic field for 10 particle events, and performing a velocity dispersion analysis I obtained the interplanetary length traveled by particles. I showed that the magnetic structure of the interplanetary medium play a crucial role in the association of the particle flux at Earth and the acceleration signatures of particles at the Sun. The second part of my work focuses on the dynamics of magnetic reconnection. Observationally, the best evidence for magnetic reconnection is the appearance of brightnesses at the solar surface. Performing the first data-driven 3 dimensional magneto-hydrodynamic (MHD) simulation of an observed event, I discovered that the evolution of brightnesses can be explained by the succession of two different reconnection regimes, induced by a new topological association where null-point separatrix lines are embedded in quasi-separatrix layers. This new topological association induces a change of field line connectivity, but also a continuous reconnection process, leading to an apparent slipping motion of reconnected field lines. From a MHD simulation I showed that
Particle simulations in toroidal geometry
International Nuclear Information System (INIS)
Aydemir, A.Y.
1992-09-01
A computational tool to be used in kinetic simulations of toroidal plasmas is being developed. The initial goal of the project is to develop an electrostatic gyrokinetic model for studying transport and stability problems in tokamaks. In this brief report, preliminary results from the early stages of this effort are presented
Single particle dynamics in circular accelerators
International Nuclear Information System (INIS)
Ruth, R.D.
1986-10-01
The purpose of this paper is to introduce the reader to the theory associated with the transverse dynamics of single particle, in circular accelerators. The discussion begins with a review of Hamiltonian dynamics and canonical transformations. The case of a single particle in a circular accelerator is considered with a discussion of non-linear terms and chromaticity. The canonical perturbation theory is presented and nonlinear resonances are considered. Finally, the concept of renormalization and residue criterion are examined. (FI)
Acoustofluidic particle dynamics: Beyond the Rayleigh limit.
Baasch, Thierry; Dual, Jürg
2018-01-01
In this work a numerical model to calculate the trajectories of multiple acoustically and hydrodynamically interacting spherical particles is presented. The acoustic forces are calculated by solving the fully coupled three-dimensional scattering problem using finite element software. The method is not restricted to single re-scattering events, mono- and dipole radiation, and long wavelengths with respect to the particle diameter, thus expanding current models. High frequency surface acoustic waves have been used in the one cell per well technology to focus individual cells in a two-dimensional wave-field. Sometimes the cells started forming clumps and it was not possible to focus on individual cells. Due to a lack of existing theory, this could not be fully investigated. Here, the authors use the full dynamic simulations to identify limiting factors of the one-cell-per-well technology. At first, the authors demonstrate good agreement of the numerical model with analytical results in the Rayleigh limiting case. A frequency dependent stability exchange between the pressure and velocity was then demonstrated. The numerical formulation presented in this work is relatively general and can be used for a multitude of different high frequency applications. It is a powerful tool in the analysis of microscale acoustofluidic devices and processes.
Full particle simulations of quasi-perpendicular shocks
Lembège, B.
This tutorial-style review is dedicated to the different strategies and constraints used for analysing the dynamics of a collisionless shocks with full particle simulations. Main results obtained with such simulations can be found in published materials (recent references are provided in this text); these will be only quoted herein in order to illustrate a few aspects of these simulations. Thanks to the large improvement of super computers, full particle simulations reveal to be quite helpful for analyzing in details the dynamics of collisionless shocks. The main characteristics of such codes can be shortly reminded as follows: one resolves the full set of Poisson and Maxwell's equations without any approximation. Two approaches are commonly used for resolving this equation's set, more precisely the space derivatives: (i) the finite difference approach and (ii) the use of FFT's (Fast Fourier Transform). Two advantages of approach (ii) are that FFT's are highly optimized in supercomputers libraries, and these allow to separate all fields components into two groups: the longitudinal electrostatic component El (solution of Poisson equation) and the transverse electromagnetic components Et and Bt solutions of the Maxwell's equations (so called "fields pusher"). Such a separation is quite helpful in the post processing stage necessary for the data analysis, as will be explained in the presentation. both ions and electrons populations are treated as individual finite-size particles and suffer the effects of all fields via the Lorentz force, so called "particle pusher", which is applied to each particle. Because of the large number of particles commonly used, the particle pusher represents the most expensive part of the calculations on which most efforts of optimisation needs to be performed (in terms of "vectorisation" or of "parallelism"). Relativistic effects may be included in this force via the use of particle momemtum. Each particle has three velocity components (vx
Particle-based solid for nonsmooth multidomain dynamics
Nordberg, John; Servin, Martin
2018-04-01
A method for simulation of elastoplastic solids in multibody systems with nonsmooth and multidomain dynamics is developed. The solid is discretised into pseudo-particles using the meshfree moving least squares method for computing the strain tensor. The particle's strain and stress tensor variables are mapped to a compliant deformation constraint. The discretised solid model thus fit a unified framework for nonsmooth multidomain dynamics simulations including rigid multibodies with complex kinematic constraints such as articulation joints, unilateral contacts with dry friction, drivelines, and hydraulics. The nonsmooth formulation allows for impact impulses to propagate instantly between the rigid multibody and the solid. Plasticity is introduced through an associative perfectly plastic modified Drucker-Prager model. The elastic and plastic dynamics are verified for simple test systems, and the capability of simulating tracked terrain vehicles driving on a deformable terrain is demonstrated.
Visual interrogation of gyrokinetic particle simulations
International Nuclear Information System (INIS)
Jones, Chad; Ma, K-L; Sanderson, Allen; Myers, Lee Roy Jr
2007-01-01
Gyrokinetic particle simulations are critical to the study of anomalous energy transport associated with plasma microturbulence in magnetic confinement fusion experiments. The simulations are conducted on massively parallel computers and produce large quantities of particles, variables, and time steps, thus presenting a formidable challenge to data analysis tasks. We present two new visualization techniques for scientists to improve their understanding of the time-varying, multivariate particle data. One technique allows scientists to examine correlations in multivariate particle data with tightly coupled views of the data in both physical space and variable space, and to visually identify and track features of interest. The second technique, built into SCIRun, allows scientists to perform range-based queries over a series of time slices and visualize the resulting particles using glyphs. The ability to navigate the multiple dimensions of the particle data, as well as query individual or a collection of particles, enables scientists to not only validate their simulations but also discover new phenomena in their data
Multi-Algorithm Particle Simulations with Spatiocyte.
Arjunan, Satya N V; Takahashi, Koichi
2017-01-01
As quantitative biologists get more measurements of spatially regulated systems such as cell division and polarization, simulation of reaction and diffusion of proteins using the data is becoming increasingly relevant to uncover the mechanisms underlying the systems. Spatiocyte is a lattice-based stochastic particle simulator for biochemical reaction and diffusion processes. Simulations can be performed at single molecule and compartment spatial scales simultaneously. Molecules can diffuse and react in 1D (filament), 2D (membrane), and 3D (cytosol) compartments. The implications of crowded regions in the cell can be investigated because each diffusing molecule has spatial dimensions. Spatiocyte adopts multi-algorithm and multi-timescale frameworks to simulate models that simultaneously employ deterministic, stochastic, and particle reaction-diffusion algorithms. Comparison of light microscopy images to simulation snapshots is supported by Spatiocyte microscopy visualization and molecule tagging features. Spatiocyte is open-source software and is freely available at http://spatiocyte.org .
Parallel Monte Carlo simulation of aerosol dynamics
Zhou, K.
2014-01-01
A highly efficient Monte Carlo (MC) algorithm is developed for the numerical simulation of aerosol dynamics, that is, nucleation, surface growth, and coagulation. Nucleation and surface growth are handled with deterministic means, while coagulation is simulated with a stochastic method (Marcus-Lushnikov stochastic process). Operator splitting techniques are used to synthesize the deterministic and stochastic parts in the algorithm. The algorithm is parallelized using the Message Passing Interface (MPI). The parallel computing efficiency is investigated through numerical examples. Near 60% parallel efficiency is achieved for the maximum testing case with 3.7 million MC particles running on 93 parallel computing nodes. The algorithm is verified through simulating various testing cases and comparing the simulation results with available analytical and/or other numerical solutions. Generally, it is found that only small number (hundreds or thousands) of MC particles is necessary to accurately predict the aerosol particle number density, volume fraction, and so forth, that is, low order moments of the Particle Size Distribution (PSD) function. Accurately predicting the high order moments of the PSD needs to dramatically increase the number of MC particles. 2014 Kun Zhou et al.
Particle hopping vs. fluid-dynamical models for traffic flow
Energy Technology Data Exchange (ETDEWEB)
Nagel, K.
1995-12-31
Although particle hopping models have been introduced into traffic science in the 19509, their systematic use has only started recently. Two reasons for this are, that they are advantageous on modem computers, and that recent theoretical developments allow analytical understanding of their properties and therefore more confidence for their use. In principle, particle hopping models fit between microscopic models for driving and fluiddynamical models for traffic flow. In this sense, they also help closing the conceptual gap between these two. This paper shows connections between particle hopping models and traffic flow theory. It shows that the hydrodynamical limits of certain particle hopping models correspond to the Lighthill-Whitham theory for traffic flow, and that only slightly more complex particle hopping models produce already the correct traffic jam dynamics, consistent with recent fluid-dynamical models for traffic flow. By doing so, this paper establishes that, on the macroscopic level, particle hopping models are at least as good as fluid-dynamical models. Yet, particle hopping models have at least two advantages over fluid-dynamical models: they straightforwardly allow microscopic simulations, and they include stochasticity.
Dynamics of colloidal particles in ice
Spannuth, Melissa
2011-01-01
We use x-ray photon correlation spectroscopy (XPCS) to probe the dynamics of colloidal particles in polycrystalline ice. During freezing, the dendritic ice morphology and rejection of particles from the ice created regions of high particle density, where some of the colloids were forced into contact and formed disordered aggregates. The particles in these high density regions underwent ballistic motion, with a characteristic velocity that increased with temperature. This ballistic motion is coupled with both stretched and compressed exponential decays of the intensity autocorrelation function. We suggest that this behavior could result from ice grain boundary migration. © 2011 American Institute of Physics.
Loading relativistic Maxwell distributions in particle simulations
International Nuclear Information System (INIS)
Zenitani, Seiji
2015-01-01
Numerical algorithms to load relativistic Maxwell distributions in particle-in-cell (PIC) and Monte-Carlo simulations are presented. For stationary relativistic Maxwellian, the inverse transform method and the Sobol algorithm are reviewed. To boost particles to obtain relativistic shifted-Maxwellian, two rejection methods are proposed in a physically transparent manner. Their acceptance efficiencies are ≈50% for generic cases and 100% for symmetric distributions. They can be combined with arbitrary base algorithms
Loading relativistic Maxwell distributions in particle simulations
Energy Technology Data Exchange (ETDEWEB)
Zenitani, Seiji, E-mail: seiji.zenitani@nao.ac.jp [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan)
2015-04-15
Numerical algorithms to load relativistic Maxwell distributions in particle-in-cell (PIC) and Monte-Carlo simulations are presented. For stationary relativistic Maxwellian, the inverse transform method and the Sobol algorithm are reviewed. To boost particles to obtain relativistic shifted-Maxwellian, two rejection methods are proposed in a physically transparent manner. Their acceptance efficiencies are ≈50% for generic cases and 100% for symmetric distributions. They can be combined with arbitrary base algorithms.
Large Scale Brownian Dynamics of Confined Suspensions of Rigid Particles
Donev, Aleksandar; Sprinkle, Brennan; Balboa, Florencio; Patankar, Neelesh
2017-11-01
We introduce new numerical methods for simulating the dynamics of passive and active Brownian colloidal suspensions of particles of arbitrary shape sedimented near a bottom wall. The methods also apply for periodic (bulk) suspensions. Our methods scale linearly in the number of particles, and enable previously unprecedented simulations of tens to hundreds of thousands of particles. We demonstrate the accuracy and efficiency of our methods on a suspension of boomerang-shaped colloids. We also model recent experiments on active dynamics of uniform suspensions of spherical microrollers. This work was supported in part by the National Science Foundation under award DMS-1418706, and by the U.S. Department of Energy under award DE-SC0008271.
Dynamic simulation of a reboiler
International Nuclear Information System (INIS)
Moeck, E.O.; McMorran, P.D.
1977-07-01
A hybrid-computer simulation of reboiler dynamics was prepared, comprising models of steam condensation in tubes, heat conduction, steam generation, a surge tank, steam transmission line and flow-control valve. Time and frequency responses were obtained to illustrate the dynamics of this multivariable process. (author)
Particle-in-cell Simulations with Kinetic Electrons
International Nuclear Information System (INIS)
Lewandowski, J.L.V.
2004-01-01
A new scheme, based on an exact separation between adiabatic and nonadiabatic electron responses, for particle-in-cell (PIC) simulations of drift-type modes is presented. The (linear and nonlinear) elliptic equations for the scalar fields are solved using a multi-grid solver. The new scheme yields linear growth rates in excellent agreement with theory and it is shown to conserve energy well into the nonlinear regime. It is also demonstrated that simulations with few electrons are reliable and accurate, suggesting that large-scale, PIC simulations with electron dynamics in toroidal geometry (e.g., tokamaks and stellarators plasmas) are within reach of present-day massively parallel supercomputers
Role of quantum statistics in multi-particle decay dynamics
Marchewka, Avi; Granot, Er'el
2015-04-01
The role of quantum statistics in the decay dynamics of a multi-particle state, which is suddenly released from a confining potential, is investigated. For an initially confined double particle state, the exact dynamics is presented for both bosons and fermions. The time-evolution of the probability to measure two-particle is evaluated and some counterintuitive features are discussed. For instance, it is shown that although there is a higher chance of finding the two bosons (as oppose to fermions, and even distinguishable particles) at the initial trap region, there is a higher chance (higher than fermions) of finding them on two opposite sides of the trap as if the repulsion between bosons is higher than the repulsion between fermions. The results are demonstrated by numerical simulations and are calculated analytically in the short-time approximation. Furthermore, experimental validation is suggested.
Role of quantum statistics in multi-particle decay dynamics
International Nuclear Information System (INIS)
Marchewka, Avi; Granot, Er’el
2015-01-01
The role of quantum statistics in the decay dynamics of a multi-particle state, which is suddenly released from a confining potential, is investigated. For an initially confined double particle state, the exact dynamics is presented for both bosons and fermions. The time-evolution of the probability to measure two-particle is evaluated and some counterintuitive features are discussed. For instance, it is shown that although there is a higher chance of finding the two bosons (as oppose to fermions, and even distinguishable particles) at the initial trap region, there is a higher chance (higher than fermions) of finding them on two opposite sides of the trap as if the repulsion between bosons is higher than the repulsion between fermions. The results are demonstrated by numerical simulations and are calculated analytically in the short-time approximation. Furthermore, experimental validation is suggested
Role of quantum statistics in multi-particle decay dynamics
Energy Technology Data Exchange (ETDEWEB)
Marchewka, Avi, E-mail: avi.marchewka@gmail.com [Galei Tchelet St 8 Herzliya (Israel); Granot, Er’el [Department of Electrical and Electronics Engineering, Ariel University, Ariel (Israel)
2015-04-15
The role of quantum statistics in the decay dynamics of a multi-particle state, which is suddenly released from a confining potential, is investigated. For an initially confined double particle state, the exact dynamics is presented for both bosons and fermions. The time-evolution of the probability to measure two-particle is evaluated and some counterintuitive features are discussed. For instance, it is shown that although there is a higher chance of finding the two bosons (as oppose to fermions, and even distinguishable particles) at the initial trap region, there is a higher chance (higher than fermions) of finding them on two opposite sides of the trap as if the repulsion between bosons is higher than the repulsion between fermions. The results are demonstrated by numerical simulations and are calculated analytically in the short-time approximation. Furthermore, experimental validation is suggested.
Simulation of capillary bridges between nanoscale particles.
Dörmann, Michael; Schmid, Hans-Joachim
2014-02-04
Capillary forces are very important as they exceed in general other adhesion forces. But at the same time the exact calculation of these forces is very complex, so often assumptions and approximations are used. Previous research was done with regard to micrometer sized particles, but the behavior of nanoscale particles is different. Hence, the results for micrometer sized particles cannot be directly transferred when considering nanoscale particles. Therefore, a simulation method was developed to calculate numerically the shape of a rotationally symmetrical capillary bridge between two spherical particles or a particle and a plate. The capillary bridge in the gap between the particles is formed due to capillary condensation and is in thermodynamic equilibrium with the gas phase. Hence the Kelvin equation and the Young-Laplace equation can be used to calculate the profile of the capillary bridge, depending on the relative humidity of the surrounding air. The bridge profile consists of several elements that are determined consecutively and interpolated linearly. After the shape is determined, the volume and force, divided into capillary pressure force and surface tension force, can be calculated. The validation of this numerical model will be shown by comparison with several different analytical calculations for micrometer-sized particles. Furthermore, it is demonstrated that two often used approximations, (1) the toroidal approximation and (2) the use of an effective radius, cannot be used for nanoscale particles without remarkable mistake. It will be discussed how the capillary force and its components depend on different parameters, like particle size, relative humidity, contact angle, and distance, respectively. The rupture of a capillary bridge due to particle separation will also be presented.
Interactive methods for exploring particle simulation data
Energy Technology Data Exchange (ETDEWEB)
Co, Christopher S.; Friedman, Alex; Grote, David P.; Vay, Jean-Luc; Bethel, E. Wes; Joy, Kenneth I.
2004-05-01
In this work, we visualize high-dimensional particle simulation data using a suite of scatter plot-based visualizations coupled with interactive selection tools. We use traditional 2D and 3D projection scatter plots as well as a novel oriented disk rendering style to convey various information about the data. Interactive selection tools allow physicists to manually classify ''interesting'' sets of particles that are highlighted across multiple, linked views of the data. The power of our application is the ability to correspond new visual representations of the simulation data with traditional, well understood visualizations. This approach supports the interactive exploration of the high-dimensional space while promoting discovery of new particle behavior.
Probing Cellular Dynamics with Mesoscopic Simulations
DEFF Research Database (Denmark)
Shillcock, Julian C.
2010-01-01
Cellular processes span a huge range of length and time scales from the molecular to the near-macroscopic. Understanding how effects on one scale influence, and are themselves influenced by, those on lower and higher scales is a critical issue for the construction of models in Systems Biology....... Advances in computing hardware and software now allow explicit simulation of some aspects of cellular dynamics close to the molecular scale. Vesicle fusion is one example of such a process. Experiments, however, typically probe cellular behavior from the molecular scale up to microns. Standard particle...... soon be coupled to Mass Action models allowing the parameters in such models to be continuously tuned according to the finer resolution simulation. This will help realize the goal of a computational cellular simulation that is able to capture the dynamics of membrane-associated processes...
Dynamic simulation of an electrorheological fluid
International Nuclear Information System (INIS)
Bonnecaze, R.T.; Brady, J.F.
1992-01-01
A molecular-dynamics-like method is presented for the simulation of a suspension of dielectric particles in a nonconductive solvent forming an electrorheological fluid. The method accurately accounts for both hydrodynamic and electrostatic interparticle interactions from dilute volume fractions to closest packing for simultaneous shear and electric fields. The hydrodynamic interactions and rheology are determined with the Stokesian dynamics methodology, while the electrostatic interactions, in particular, the conservative electrostatic interparticle forces, are determined from the electrostatic energy of the suspension. The energy of the suspension is computed from the induced particle dipoles by a method previously developed [R. T. Bonnecaze and J. F. Brady, Proc. R. Soc. London, Ser. A 430, 285 (1990)]. Using the simulation, the dynamics can be directly correlated to the observed macroscopic rheology of the suspension for a range of the so-called Mason number, Ma, the ratio of viscous to electrostatic forces. The simulation is specifically applied to a monolayer of spherical particles of areal fraction 0.4 with a particle-to-fluid dielectric constant ratio of 4 for Ma=10 -4 to ∞. The effective viscosity of the suspension increases as Ma -1 or with the square of the electric field for small Ma and has a plateau value at large Ma, as is observed experimentally. This rheological behavior can be interpreted as Bingham plastic-like with a dynamic yield stress. The first normal stress difference is negative, and its magnitude increases as Ma -1 at small Ma with a large Ma plateau value of zero. In addition to the time averages of the rheology, the time traces of the viscosities are presented along with selected ''snapshots'' of the suspension microstructure
Partially linearized algorithms in gyrokinetic particle simulation
Energy Technology Data Exchange (ETDEWEB)
Dimits, A.M.; Lee, W.W.
1990-10-01
In this paper, particle simulation algorithms with time-varying weights for the gyrokinetic Vlasov-Poisson system have been developed. The primary purpose is to use them for the removal of the selected nonlinearities in the simulation of gradient-driven microturbulence so that the relative importance of the various nonlinear effects can be assessed. It is hoped that the use of these procedures will result in a better understanding of the transport mechanisms and scaling in tokamaks. Another application of these algorithms is for the improvement of the numerical properties of the simulation plasma. For instance, implementations of such algorithms (1) enable us to suppress the intrinsic numerical noise in the simulation, and (2) also make it possible to regulate the weights of the fast-moving particles and, in turn, to eliminate the associated high frequency oscillations. Examples of their application to drift-type instabilities in slab geometry are given. We note that the work reported here represents the first successful use of the weighted algorithms in particle codes for the nonlinear simulation of plasmas.
Partially linearized algorithms in gyrokinetic particle simulation
International Nuclear Information System (INIS)
Dimits, A.M.; Lee, W.W.
1990-10-01
In this paper, particle simulation algorithms with time-varying weights for the gyrokinetic Vlasov-Poisson system have been developed. The primary purpose is to use them for the removal of the selected nonlinearities in the simulation of gradient-driven microturbulence so that the relative importance of the various nonlinear effects can be assessed. It is hoped that the use of these procedures will result in a better understanding of the transport mechanisms and scaling in tokamaks. Another application of these algorithms is for the improvement of the numerical properties of the simulation plasma. For instance, implementations of such algorithms (1) enable us to suppress the intrinsic numerical noise in the simulation, and (2) also make it possible to regulate the weights of the fast-moving particles and, in turn, to eliminate the associated high frequency oscillations. Examples of their application to drift-type instabilities in slab geometry are given. We note that the work reported here represents the first successful use of the weighted algorithms in particle codes for the nonlinear simulation of plasmas
International Nuclear Information System (INIS)
Trucco, A.; Corallo, C.; Pini Prato, A.; Porro, S.
1999-01-01
Among the innovative cycle recently proposed in literature, the Humid Air Turbine Cycle - Hat better seems to fulfil the main energy market requirements of today: High efficiency in a large power ranger, low pollution, low specific capital cost. The previous results of an analysis at partial load and transient conditions are here presented, where the Hat plant has been simulated using the original model implemented in LEGO environment [it
Classical dynamics of particles and systems
Marion, Jerry B
1965-01-01
Classical Dynamics of Particles and Systems presents a modern and reasonably complete account of the classical mechanics of particles, systems of particles, and rigid bodies for physics students at the advanced undergraduate level. The book aims to present a modern treatment of classical mechanical systems in such a way that the transition to the quantum theory of physics can be made with the least possible difficulty; to acquaint the student with new mathematical techniques and provide sufficient practice in solving problems; and to impart to the student some degree of sophistication in handl
Track-structure simulations for charged particles.
Dingfelder, Michael
2012-11-01
Monte Carlo track-structure simulations provide a detailed and accurate picture of radiation transport of charged particles through condensed matter of biological interest. Liquid water serves as a surrogate for soft tissue and is used in most Monte Carlo track-structure codes. Basic theories of radiation transport and track-structure simulations are discussed and differences compared to condensed history codes highlighted. Interaction cross sections for electrons, protons, alpha particles, and light and heavy ions are required input data for track-structure simulations. Different calculation methods, including the plane-wave Born approximation, the dielectric theory, and semi-empirical approaches are presented using liquid water as a target. Low-energy electron transport and light ion transport are discussed as areas of special interest.
Loading relativistic Maxwell distributions in particle simulations
Zenitani, S.
2015-12-01
In order to study energetic plasma phenomena by using particle-in-cell (PIC) and Monte-Carlo simulations, we need to deal with relativistic velocity distributions in these simulations. However, numerical algorithms to deal with relativistic distributions are not well known. In this contribution, we overview basic algorithms to load relativistic Maxwell distributions in PIC and Monte-Carlo simulations. For stationary relativistic Maxwellian, the inverse transform method and the Sobol algorithm are reviewed. To boost particles to obtain relativistic shifted-Maxwellian, two rejection methods are newly proposed in a physically transparent manner. Their acceptance efficiencies are 50% for generic cases and 100% for symmetric distributions. They can be combined with arbitrary base algorithms.
Nonlinear dynamics aspects of particle accelerators
International Nuclear Information System (INIS)
Araki, H.; Ehlers, J.; Hepp, K.; Kippenhahn, R.; Weidenmuller, A.; Zittartz, J.
1986-01-01
This book contains 18 selections. Some of the titles are: Integrable and Nonintegrable Hamiltonian Systems; Nonlinear Dynamics Aspects of Modern Storage Rings; Nonlinear Beam-Beam Resonances; Synchro-Betatron Resonances; Review of Beam-Beam Simulations; and Perturbation Method in Nonlinear Dynamics
Energetic Particles Dynamics in Mercury's Magnetosphere
Walsh, Brian M.; Ryou, A.S.; Sibeck, D. G.; Alexeev, I. I.
2013-01-01
We investigate the drift paths of energetic particles in Mercury's magnetosphere by tracing their motion through a model magnetic field. Test particle simulations solving the full Lorentz force show a quasi-trapped energetic particle population that gradient and curvature drift around the planet via "Shabansky" orbits, passing though high latitudes in the compressed dayside by equatorial latitudes on the nightside. Due to their large gyroradii, energetic H+ and Na+ ions will typically collide with the planet or the magnetopause and will not be able to complete a full drift orbit. These simulations provide direct comparison for recent spacecraft measurements from MESSENGER. Mercury's offset dipole results in an asymmetric loss cone and therefore an asymmetry in particle precipitation with more particles precipitating in the southern hemisphere. Since the planet lacks an atmosphere, precipitating particles will collide directly with the surface of the planet. The incident charged particles can kick up neutrals from the surface and have implications for the formation of the exosphere and weathering of the surface
Numerical simulations on a high-temperature particle moving in coolant
International Nuclear Information System (INIS)
Li Xiaoyan; Shang Zhi; Xu Jijun
2006-01-01
This study considers the coupling effect between film boiling heat transfer and evaporation drag around a hot-particle in cold liquid. Taking momentum and energy equations of the vapor film into account, a transient single particle model under FCI conditions has been established. The numerical simulations on a high-temperature particle moving in coolant have been performed using Gear algorithm. Adaptive dynamic boundary method is adopted during simulating to matching the dynamic boundary that is caused by vapor film changing. Based on the method presented above, the transient process of high-temperature particles moving in coolant can be simulated. The experimental results prove the validity of the HPMC model. (authors)
Stable schemes for dissipative particle dynamics with conserved energy
Energy Technology Data Exchange (ETDEWEB)
Stoltz, Gabriel, E-mail: stoltz@cermics.enpc.fr
2017-07-01
This article presents a new numerical scheme for the discretization of dissipative particle dynamics with conserved energy. The key idea is to reduce elementary pairwise stochastic dynamics (either fluctuation/dissipation or thermal conduction) to effective single-variable dynamics, and to approximate the solution of these dynamics with one step of a Metropolis–Hastings algorithm. This ensures by construction that no negative internal energies are encountered during the simulation, and hence allows to increase the admissible timesteps to integrate the dynamics, even for systems with small heat capacities. Stability is only limited by the Hamiltonian part of the dynamics, which suggests resorting to multiple timestep strategies where the stochastic part is integrated less frequently than the Hamiltonian one.
Computer Models Simulate Fine Particle Dispersion
2010-01-01
Through a NASA Seed Fund partnership with DEM Solutions Inc., of Lebanon, New Hampshire, scientists at Kennedy Space Center refined existing software to study the electrostatic phenomena of granular and bulk materials as they apply to planetary surfaces. The software, EDEM, allows users to import particles and obtain accurate representations of their shapes for modeling purposes, such as simulating bulk solids behavior, and was enhanced to be able to more accurately model fine, abrasive, cohesive particles. These new EDEM capabilities can be applied in many industries unrelated to space exploration and have been adopted by several prominent U.S. companies, including John Deere, Pfizer, and Procter & Gamble.
Traffic flow dynamics data, models and simulation
Treiber, Martin
2013-01-01
This textbook provides a comprehensive and instructive coverage of vehicular traffic flow dynamics and modeling. It makes this fascinating interdisciplinary topic, which to date was only documented in parts by specialized monographs, accessible to a broad readership. Numerous figures and problems with solutions help the reader to quickly understand and practice the presented concepts. This book is targeted at students of physics and traffic engineering and, more generally, also at students and professionals in computer science, mathematics, and interdisciplinary topics. It also offers material for project work in programming and simulation at college and university level. The main part, after presenting different categories of traffic data, is devoted to a mathematical description of the dynamics of traffic flow, covering macroscopic models which describe traffic in terms of density, as well as microscopic many-particle models in which each particle corresponds to a vehicle and its driver. Focus chapters on ...
Formation and dynamic change of aerosol particles
International Nuclear Information System (INIS)
Kasahara, Mikio
1986-01-01
Processes of aerosol particle nucleation are roughly grouped into two types. In one, aerosol is produced as a result of dispersion of solid or liquid by mechanical force while in the other it is formed through phase transition from gas to solid or liquid due to cohesion caused by cooling, expansion or chemical reaction. This article reviews various aspects of aerosol particle nucleation through the latter type of processes and behaviors of the particles formed. Gas-to-particle conversion processes are divided into those of homogeneous and heterogeneous nucleation, and the former include homogeneous homomolecular and homogeneous heteromolecular nucleation processes. Here, homoneneous homomolecular nucleation is described centering on the theories proposed by Backer and Doring-Zeldovich-Volmer-Frenkel while homogeneous heteromolecular systems are outlined citing the theory developed by Kiang and Stauffer. Heterogeneous nucleation (or heterogeneous condensation) is discussed on the basis of the relationship between the mean free path of air molecules and the particle size. Various theories for particle formation and growth are listed and briefly outlined. Some of them are compared with experimental results. Models are cited to explain behaviors of aerosol particles after being formed. Also described is simulation of particle nucleation and growth in relation to atmospheric pollution and possible accidents of liquid-metal fast breeder reactors. (Nogami, K.)
Radial particle distributions in PARMILA simulation beams
International Nuclear Information System (INIS)
Boicourt, G.P.
1984-03-01
The estimation of beam spill in particle accelerators is becoming of greater importance as higher current designs are being funded. To the present, no numerical method for predicting beam-spill has been available. In this paper, we present an approach to the loss-estimation problem that uses probability distributions fitted to particle-simulation beams. The properties of the PARMILA code's radial particle distribution are discussed, and a broad class of probability distributions are examined to check their ability to fit it. The possibility that the PARMILA distribution is a mixture is discussed, and a fitting distribution consisting of a mixture of two generalized gamma distributions is found. An efficient algorithm to accomplish the fit is presented. Examples of the relative prediction of beam spill are given. 26 references, 18 figures, 1 table
Implicit particle simulation of electromagnetic plasma phenomena
International Nuclear Information System (INIS)
Kamimura, T.; Montalvo, E.; Barnes, D.C.; Leboeuf, J.N.; Tajima, T.
1986-11-01
A direct method for the implicit particle simulation of electromagnetic phenomena in magnetized, multi-dimensional plasmas is developed. The method is second-order accurate for ωΔt < 1, with ω a characteristic frequency and time step Δt. Direct time integration of the implicit equations with simplified space differencing allows the consistent inclusion of finite particle size. Decentered time differencing of the Lorentz force permits the efficient simulation of strongly magnetized plasmas. A Fourier-space iterative technique for solving the implicit field corrector equation, based on the separation of plasma responses perpendicular and parallel to the magnetic field and longitudinal and transverse to the wavevector, is described. Wave propagation properties in a uniform plasma are in excellent agreement with theoretical expectations. Applications to collisionless tearing and coalescence instabilities further demonstrate the usefulness of the algorithm. (author)
Particle beam dynamics in a magnetically insulated coaxial diode
International Nuclear Information System (INIS)
Korenev, V.G.; Magda, I.I.; Sinitsin, V.G.
2015-01-01
The dynamics of charged particle beams emitted from a cathode into a smooth coaxial diode with magnetic insulation is studied with the aid of 3-D PIC simulation. The processes controlling space charge formation and its evolution in the diode are modeled for geometries typical of high-voltage millimeter wave magnetrons that are characterized by very high values of emission currents, hence high space charge densities.
Sommariva, C.; Nardon, E.; Beyer, P.; Hoelzl, M.; Huijsmans, G. T. A.; van Vugt, D.; Contributors, JET
2018-01-01
In order to contribute to the understanding of runaway electron generation mechanisms during tokamak disruptions, a test particle tracker is introduced in the JOREK 3D non-linear MHD code, able to compute both full and guiding center relativistic orbits. Tests of the module show good conservation of the invariants of motion and consistency between full orbit and guiding center solutions. A first application is presented where test electron confinement properties are investigated in a massive gas injection-triggered disruption simulation in JET-like geometry. It is found that electron populations initialised before the thermal quench (TQ) are typically not fully deconfined in spite of the global stochasticity of the magnetic field during the TQ. The fraction of ‘survivors’ decreases from a few tens down to a few tenths of percent as the electron energy varies from 1 keV to 10 MeV. The underlying mechanism for electron ‘survival’ is the prompt reformation of closed magnetic surfaces at the plasma core and, to a smaller extent, the subsequent reappearance of a magnetic surface at the edge. It is also found that electrons are less deconfined at 10 MeV than at 1 MeV, which appears consistent with a phase averaging effect due to orbit shifts at high energy.
Numerical simulation of microstructure formation of suspended particles in magnetorheological fluids
International Nuclear Information System (INIS)
Ido, Y; Inagaki, T; Yamaguchi, T
2010-01-01
Microstructure formation of magnetic particles and nonmagnetic particles in magnetorheological (MR) fluids is investigated using the particle method simulation based on simplified Stokesian dynamics. Spherical nonmagnetic particles are rearranged in the field direction due to the formation of magnetic particles in chain-like clusters. Cluster formation of spherocylindrical magnetic particles forces spherical nonmagnetic particles to arrange in the direction of the field. In contrast, the spherocylindrical nonmagnetic particles, with an aspect ratio of two or three, are not sufficiently rearranged in the field direction by cluster formation of spherical magnetic particles. Even after cluster formation in the presence of a magnetic field, the uniformity of distribution of particles on the plane perpendicular to the field direction shows very little change. However, the deviation of uniformity in particle distribution is reduced when the volume fraction of magnetic particles is the same as that of nonmagnetic particles.
Numerical Simulation of Particle Distribution in Capillary Membrane during Backwash
Directory of Open Access Journals (Sweden)
Anik Keller
2013-09-01
Full Text Available The membrane filtration with inside-out dead-end driven UF-/MF- capillary membranes is an effective process for particle removal in water treatment. Its industrial application increased in the last decade exponentially. To date, the research activities in this field were aimed first of all at the analysis of filtration phenomena disregarding the influence of backwash on the operation parameters of filtration plants. However, following the main hypothesis of this paper, backwash has great potential to increase the efficiency of filtration. In this paper, a numerical approach for a detailed study of fluid dynamic processes in capillary membranes during backwash is presented. The effect of particle size and inlet flux on the backwash process are investigated. The evaluation of these data concentrates on the analysis of particle behavior in the cross sectional plane and the appearance of eventually formed particle plugs inside the membrane capillary. Simulations are conducted in dead-end filtration mode and with two configurations. The first configuration includes a particle concentration of 10% homogeneously distributed within the capillary and the second configuration demonstrates a cake layer on the membrane surface with a packing density of 0:6. Analyzing the hydrodynamic forces acting on the particles shows that the lift force plays the main role in defining the particle enrichment areas. The operation parameters contribute in enhancing the lift force and the heterogeneity to anticipate the clogging of the membrane.
CECAM Workshop: Dissipative Particle Dynamics: Addressing Deficiencies and Establishing NewFrontiers
Czech Academy of Sciences Publication Activity Database
Brennan, J.K.; Lísal, Martin
2009-01-01
Roč. 35, č. 9 (2009), s. 766-769 ISSN 0892-7022. [CECAM Worskhop on the Dissipative Particle Dynamic Method (DPD). Lausanne, 16.07.2008-18.07.2008] Institutional research plan: CEZ:AV0Z40720504 Keywords : mesoscale * simulation * dissipative particle dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.028, year: 2009
Single-particle beam dynamics in Boomerang
International Nuclear Information System (INIS)
Jackson, Alan; Nishimura, Hiroshi
2003-01-01
We describe simulations of the beam dynamics in the storage ring (Boomerang), a 3-GeV third-generation light source being designed for the Australian Synchrotron Project[1]. The simulations were performed with the code Goemon[2]. They form the basis for design specifications for storage ring components (apertures, alignment tolerances, magnet quality, etc.), and for determining performance characteristics such as coupling and beam lifetime
Dynamic behaviors of laser ablated Si particles
International Nuclear Information System (INIS)
Ohyanagi, T.; Murakami, K.; Miyashita, A.; Yoda, O.
1995-01-01
The dynamics of laser-ablated Si particles produced by laser ablation have been investigated by time-and-space resolved X-ray absorption spectroscopy in a time scale ranging from 0 ns to 120 ns with a time resolution of 10 ns. Neutral and charged particles are observed through all X-ray absorption spectra. Assignments of transitions from 2s and 2p initial states to higher Rydberg states of Si atom and ions are achieved, and we experimentally determine the L II,III absorption edges of neutral Si atom (Si 0 ) and Si + , Si 2+ , Si 3+ and Si 4+ ions. The main ablated particles are found to be Si atom and Si ions in the initial stage of 0 ns to 120 ns. The relative amounts depend strongly on times and laser energy densities. We find that the spatial distributions of particles produced by laser ablation are changed with supersonic helium gas bombardment, but no cluster formation takes place. This suggests that a higher-density region of helium gas is formed at the top of the plume of ablated particles, and free expansion of particles is restrained by this helium cloud, and that it takes more than 120 ns to form Si clusters. (author)
Recent progress of hybrid simulation for energetic particles and MHD
International Nuclear Information System (INIS)
Todo, Y.
2013-01-01
Several hybrid simulation models have been constructed to study the evolution of Alfven eigenmodes destabilized by energetic particles. Recent hybrid simulation results of energetic particle driven instabilities are presented in this paper. (J.P.N.)
A particle-based method for granular flow simulation
Chang, Yuanzhang; Bao, Kai; Zhu, Jian; Wu, Enhua
2012-01-01
We present a new particle-based method for granular flow simulation. In the method, a new elastic stress term, which is derived from a modified form of the Hooke's law, is included in the momentum governing equation to handle the friction of granular materials. Viscosity force is also added to simulate the dynamic friction for the purpose of smoothing the velocity field and further maintaining the simulation stability. Benefiting from the Lagrangian nature of the SPH method, large flow deformation can be well handled easily and naturally. In addition, a signed distance field is also employed to enforce the solid boundary condition. The experimental results show that the proposed method is effective and efficient for handling the flow of granular materials, and different kinds of granular behaviors can be well simulated by adjusting just one parameter. © 2012 Science China Press and Springer-Verlag Berlin Heidelberg.
A particle-based method for granular flow simulation
Chang, Yuanzhang
2012-03-16
We present a new particle-based method for granular flow simulation. In the method, a new elastic stress term, which is derived from a modified form of the Hooke\\'s law, is included in the momentum governing equation to handle the friction of granular materials. Viscosity force is also added to simulate the dynamic friction for the purpose of smoothing the velocity field and further maintaining the simulation stability. Benefiting from the Lagrangian nature of the SPH method, large flow deformation can be well handled easily and naturally. In addition, a signed distance field is also employed to enforce the solid boundary condition. The experimental results show that the proposed method is effective and efficient for handling the flow of granular materials, and different kinds of granular behaviors can be well simulated by adjusting just one parameter. © 2012 Science China Press and Springer-Verlag Berlin Heidelberg.
Particle Simulation of Fractional Diffusion Equations
Allouch, Samer
2017-07-12
This work explores different particle-based approaches to the simulation of one-dimensional fractional subdiffusion equations in unbounded domains. We rely on smooth particle approximations, and consider four methods for estimating the fractional diffusion term. The first method is based on direct differentiation of the particle representation, it follows the Riesz definition of the fractional derivative and results in a non-conservative scheme. The other three methods follow the particle strength exchange (PSE) methodology and are by construction conservative, in the sense that the total particle strength is time invariant. The first PSE algorithm is based on using direct differentiation to estimate the fractional diffusion flux, and exploiting the resulting estimates in an integral representation of the divergence operator. Meanwhile, the second one relies on the regularized Riesz representation of the fractional diffusion term to derive a suitable interaction formula acting directly on the particle representation of the diffusing field. A third PSE construction is considered that exploits the Green\\'s function of the fractional diffusion equation. The performance of all four approaches is assessed for the case of a one-dimensional diffusion equation with constant diffusivity. This enables us to take advantage of known analytical solutions, and consequently conduct a detailed analysis of the performance of the methods. This includes a quantitative study of the various sources of error, namely filtering, quadrature, domain truncation, and time integration, as well as a space and time self-convergence analysis. These analyses are conducted for different values of the order of the fractional derivatives, and computational experiences are used to gain insight that can be used for generalization of the present constructions.
Particle Simulation of Fractional Diffusion Equations
Allouch, Samer; Lucchesi, Marco; Maî tre, O. P. Le; Mustapha, K. A.; Knio, Omar
2017-01-01
This work explores different particle-based approaches to the simulation of one-dimensional fractional subdiffusion equations in unbounded domains. We rely on smooth particle approximations, and consider four methods for estimating the fractional diffusion term. The first method is based on direct differentiation of the particle representation, it follows the Riesz definition of the fractional derivative and results in a non-conservative scheme. The other three methods follow the particle strength exchange (PSE) methodology and are by construction conservative, in the sense that the total particle strength is time invariant. The first PSE algorithm is based on using direct differentiation to estimate the fractional diffusion flux, and exploiting the resulting estimates in an integral representation of the divergence operator. Meanwhile, the second one relies on the regularized Riesz representation of the fractional diffusion term to derive a suitable interaction formula acting directly on the particle representation of the diffusing field. A third PSE construction is considered that exploits the Green's function of the fractional diffusion equation. The performance of all four approaches is assessed for the case of a one-dimensional diffusion equation with constant diffusivity. This enables us to take advantage of known analytical solutions, and consequently conduct a detailed analysis of the performance of the methods. This includes a quantitative study of the various sources of error, namely filtering, quadrature, domain truncation, and time integration, as well as a space and time self-convergence analysis. These analyses are conducted for different values of the order of the fractional derivatives, and computational experiences are used to gain insight that can be used for generalization of the present constructions.
Testing particle filters on convective scale dynamics
Haslehner, Mylene; Craig, George. C.; Janjic, Tijana
2014-05-01
Particle filters have been developed in recent years to deal with highly nonlinear dynamics and non Gaussian error statistics that also characterize data assimilation on convective scales. In this work we explore the use of the efficient particle filter (P.v. Leeuwen, 2011) for convective scale data assimilation application. The method is tested in idealized setting, on two stochastic models. The models were designed to reproduce some of the properties of convection, for example the rapid development and decay of convective clouds. The first model is a simple one-dimensional, discrete state birth-death model of clouds (Craig and Würsch, 2012). For this model, the efficient particle filter that includes nudging the variables shows significant improvement compared to Ensemble Kalman Filter and Sequential Importance Resampling (SIR) particle filter. The success of the combination of nudging and resampling, measured as RMS error with respect to the 'true state', is proportional to the nudging intensity. Significantly, even a very weak nudging intensity brings notable improvement over SIR. The second model is a modified version of a stochastic shallow water model (Würsch and Craig 2013), which contains more realistic dynamical characteristics of convective scale phenomena. Using the efficient particle filter and different combination of observations of the three field variables (wind, water 'height' and rain) allows the particle filter to be evaluated in comparison to a regime where only nudging is used. Sensitivity to the properties of the model error covariance is also considered. Finally, criteria are identified under which the efficient particle filter outperforms nudging alone. References: Craig, G. C. and M. Würsch, 2012: The impact of localization and observation averaging for convective-scale data assimilation in a simple stochastic model. Q. J. R. Meteorol. Soc.,139, 515-523. Van Leeuwen, P. J., 2011: Efficient non-linear data assimilation in geophysical
Viscosity calculations at molecular dynamics simulations
International Nuclear Information System (INIS)
Kirova, E M; Norman, G E
2015-01-01
Viscosity and diffusion are chosen as an example to demonstrate the universality of diagnostics methods in the molecular dynamics method. To emphasize the universality, three diverse systems are investigated, which differ from each other drastically: liquids with embedded atom method and pairwise interatomic interaction potentials and dusty plasma with a unique multiparametric interparticle interaction potential. Both the Einstein-Helfand and Green-Kubo relations are used. Such a particular process as glass transition is analysed at the simulation of the aluminium melt. The effect of the dust particle charge fluctuation is considered. The results are compared with the experimental data. (paper)
Dynamics of magnetic nano-particle assembly
International Nuclear Information System (INIS)
Kondratyev, V N
2010-01-01
Ferromagnetically coupled nano-particle assembly is analyzed accounting for inter- and intra- particle electronic structures within the randomly jumping interacting moments model including quantum fluctuations due to the discrete levels and disorder. At the magnetic jump anomalies caused by quantization the magnetic state equation and phase diagram are found to indicate an existence of spinodal regions and critical points. Arrays of magnetized nano-particles with multiple magnetic response anomalies are predicted to display some specific features. In a case of weak coupling such arrays exhibit the well-separated instability regions surrounding the anomaly positions. With increasing coupling we observe further structure modification, plausibly, of bifurcation type. At strong coupling the dynamical instability region become wide while the stable regime arises as a narrow islands at small disorders. It is shown that exploring correlations of magnetic noise amplitudes represents convenient analytical tool for quantitative definition, description and study of supermagnetism, as well as self-organized criticality.
Particle algorithms for population dynamics in flows
International Nuclear Information System (INIS)
Perlekar, Prasad; Toschi, Federico; Benzi, Roberto; Pigolotti, Simone
2011-01-01
We present and discuss particle based algorithms to numerically study the dynamics of population subjected to an advecting flow condition. We discuss few possible variants of the algorithms and compare them in a model compressible flow. A comparison against appropriate versions of the continuum stochastic Fisher equation (sFKPP) is also presented and discussed. The algorithms can be used to study populations genetics in fluid environments.
Computer simulation of dynamic processes on accelerators
International Nuclear Information System (INIS)
Kol'ga, V.V.
1979-01-01
The problems of computer numerical investigation of motion of accelerated particles in accelerators and storages, an effect of different accelerator systems on the motion, determination of optimal characteristics of accelerated charged particle beams are considered. Various simulation representations are discussed which describe the accelerated particle dynamics, such as the enlarged particle method, the representation where a great number of discrete particle is substituted for a field of continuously distributed space charge, the method based on determination of averaged beam characteristics. The procedure is described of numerical studies involving the basic problems, viz. calculation of closed orbits, establishment of stability regions, investigation of resonance propagation determination of the phase stability region, evaluation of the space charge effect the problem of beam extraction. It is shown that most of such problems are reduced to solution of the Cauchy problem using a computer. The ballistic method which is applied to solution of the boundary value problem of beam extraction is considered. It is shown that introduction into the equation under study of additional members with the small positive regularization parameter is a general idea of the methods for regularization of noncorrect problems [ru
Computer simulation of backscattered alpha particles
International Nuclear Information System (INIS)
Sanchez, A. Martin; Bland, C.J.; Timon, A. Fernandez
2000-01-01
Alpha-particle spectrometry forms an important aspect of radionuclide metrology. Accurate measurements require corrections to be made for factors such as self-absorption within the source and backscattering from the backing material. The theory of the latter phenomenon has only received limited attention. Furthermore the experimental verification of these theoretical results requires adequate counting statistics for a variety of sources with different activities. These problems could be resolved by computer simulations of the various interactions which occur as alpha-particles move through different materials. The pioneering work of Ziegler and his coworkers over several years, has provided the sophisticated software (SRIM) which has enabled us to obtain the results presented here. These results are compared with theoretical and experimental values obtained previously
Electron gun simulation with CST PARTICLE STUDIO
International Nuclear Information System (INIS)
Spachmann, Holger; Becker, Ulrich
2006-01-01
This paper introduces CST PARTICLE STUDIO TM , a specialist tool for the fast and accurate design and analysis of 3D electron guns. The new software is based on the multi-purpose electromagnetic solvers of the CST STUDIO family and incorporates their powerful modelling capabilities as well as successful algorithms of the MAFIA-TS simulators. The underlying theory of the PBA based field solvers and the used tracking technique is presented and some examples of application demonstrate the current status of the software
Vehicle dynamics modeling and simulation
Schramm, Dieter; Bardini, Roberto
2014-01-01
The authors examine in detail the fundamentals and mathematical descriptions of the dynamics of automobiles. In this context different levels of complexity will be presented, starting with basic single-track models up to complex three-dimensional multi-body models. A particular focus is on the process of establishing mathematical models on the basis of real cars and the validation of simulation results. The methods presented are explained in detail by means of selected application scenarios.
Particle simulation in curvilinear coordinate systems
International Nuclear Information System (INIS)
LeBrun, M.J.; Tajima, T.
1989-01-01
We present methods for particle simulation of plasmas in a nearly arbitrary coordinate metric and describe a toroidal electrostatic simulation code that evolved from this effort. A Mercier-type coordinate system is used, with a nonuniform radial grid for improved cross-field resolution. A fast iterative method for solving the Poisson equation is employed, and the interpolation/filtering technique shown to be momentum and energy conserving in the continuum limit. Lorentz ion and drift electron species are used. The code has been thoroughly tested for its reproduction of linear and nonlinear physics, and has been applied to the toroidal drift wave problem and its impact on anomalous transport in tokamaks. 40 refs., 10 figs., 1 tab
Two-way coupling of magnetohydrodynamic simulations with embedded particle-in-cell simulations
Makwana, K. D.; Keppens, R.; Lapenta, G.
2017-12-01
We describe a method for coupling an embedded domain in a magnetohydrodynamic (MHD) simulation with a particle-in-cell (PIC) method. In this two-way coupling we follow the work of Daldorff et al. (2014) [19] in which the PIC domain receives its initial and boundary conditions from MHD variables (MHD to PIC coupling) while the MHD simulation is updated based on the PIC variables (PIC to MHD coupling). This method can be useful for simulating large plasma systems, where kinetic effects captured by particle-in-cell simulations are localized but affect global dynamics. We describe the numerical implementation of this coupling, its time-stepping algorithm, and its parallelization strategy, emphasizing the novel aspects of it. We test the stability and energy/momentum conservation of this method by simulating a steady-state plasma. We test the dynamics of this coupling by propagating plasma waves through the embedded PIC domain. Coupling with MHD shows satisfactory results for the fast magnetosonic wave, but significant distortion for the circularly polarized Alfvén wave. Coupling with Hall-MHD shows excellent coupling for the whistler wave. We also apply this methodology to simulate a Geospace Environmental Modeling (GEM) challenge type of reconnection with the diffusion region simulated by PIC coupled to larger scales with MHD and Hall-MHD. In both these cases we see the expected signatures of kinetic reconnection in the PIC domain, implying that this method can be used for reconnection studies.
A molecular dynamics simulation code ISIS
International Nuclear Information System (INIS)
Kambayashi, Shaw
1992-06-01
Computer simulation based on the molecular dynamics (MD) method has become an important tool complementary to experiments and theoretical calculations in a wide range of scientific fields such as physics, chemistry, biology, and so on. In the MD method, the Newtonian equations-of-motion of classical particles are integrated numerically to reproduce a phase-space trajectory of the system. In the 1980's, several new techniques have been developed for simulation at constant-temperature and/or constant-pressure in convenient to compare result of computer simulation with experimental results. We first summarize the MD method for both microcanonical and canonical simulations. Then, we present and overview of a newly developed ISIS (Isokinetic Simulation of Soft-spheres) code and its performance on various computers including vector processors. The ISIS code has a capability to make a MD simulation under constant-temperature condition by using the isokinetic constraint method. The equations-of-motion is integrated by a very accurate fifth-order finite differential algorithm. The bookkeeping method is also utilized to reduce the computational time. Furthermore, the ISIS code is well adopted for vector processing: Speedup ratio ranged from 16 to 24 times is obtained on a VP2600/10 vector processor. (author)
The dynamics of small inertial particles in weakly stratified turbulence
van Aartrijk, M.; Clercx, H.J.H.
We present an overview of a numerical study on the small-scale dynamics and the large-scale dispersion of small inertial particles in stably stratified turbulence. Three types of particles are examined: fluid particles, light inertial particles (with particle-to-fluid density ratio 1Ͽp/Ͽf25) and
Lagrangian particle method for compressible fluid dynamics
Samulyak, Roman; Wang, Xingyu; Chen, Hsin-Chiang
2018-06-01
A new Lagrangian particle method for solving Euler equations for compressible inviscid fluid or gas flows is proposed. Similar to smoothed particle hydrodynamics (SPH), the method represents fluid cells with Lagrangian particles and is suitable for the simulation of complex free surface/multiphase flows. The main contributions of our method, which is different from SPH in all other aspects, are (a) significant improvement of approximation of differential operators based on a polynomial fit via weighted least squares approximation and the convergence of prescribed order, (b) a second-order particle-based algorithm that reduces to the first-order upwind method at local extremal points, providing accuracy and long term stability, and (c) more accurate resolution of entropy discontinuities and states at free interfaces. While the method is consistent and convergent to a prescribed order, the conservation of momentum and energy is not exact and depends on the convergence order. The method is generalizable to coupled hyperbolic-elliptic systems. Numerical verification tests demonstrating the convergence order are presented as well as examples of complex multiphase flows.
Fully kinetic particle simulations of high pressure streamer propagation
Rose, David; Welch, Dale; Thoma, Carsten; Clark, Robert
2012-10-01
Streamer and leader formation in high pressure devices is a dynamic process involving a hierarchy of physical phenomena. These include elastic and inelastic particle collisions in the gas, radiation generation, transport and absorption, and electrode interactions. We have performed 2D and 3D fully EM implicit particle-in-cell simulation model of gas breakdown leading to streamer formation under DC and RF fields. The model uses a Monte Carlo treatment for all particle interactions and includes discrete photon generation, transport, and absorption for ultra-violet and soft x-ray radiation. Central to the realization of this fully kinetic particle treatment is an algorithm [D. R. Welch, et al., J. Comp. Phys. 227, 143 (2007)] that manages the total particle count by species while preserving the local momentum distribution functions and conserving charge. These models are being applied to the analysis of high-pressure gas switches [D. V. Rose, et al., Phys. Plasmas 18, 093501 (2011)] and gas-filled RF accelerator cavities [D. V. Rose, et al. Proc. IPAC12, to appear].
Diffusion of particles over dynamically disordered lattice
Czech Academy of Sciences Publication Activity Database
Tarasenko, Alexander; Jastrabík, Lubomír
2011-01-01
Roč. 13, č. 6 (2011), s. 2300-2306 ISSN 1463-9076 R&D Projects: GA AV ČR KAN301370701; GA MŠk(CZ) 1M06002 Institutional research plan: CEZ:AV0Z10100522 Keywords : diffusion * Monte Carlo simulations * dynamic disordered lattice Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.573, year: 2011
Moment approach to charged particle beam dynamics
International Nuclear Information System (INIS)
Channell, P.J.
1983-01-01
We have derived the hierarchy of moment equations that describes the dynamics of charged-particle beams in linear accelerators and can truncate the hierarchy at any level either by discarding higher moments or by a cumulant expansion discarding only correlation functions. We have developed a procedure for relating the density expansion linearly to the moments to any order. The relation of space-charge fields to the density has been derived; and an accurate, systematic, and computationally convenient expansion of the resultant integrals has been developed
Optimization of Particle Search Algorithm for CFD-DEM Simulations
Directory of Open Access Journals (Sweden)
G. Baryshev
2013-09-01
Full Text Available Discrete element method has numerous applications in particle physics. However, simulating particles as discrete entities can become costly for large systems. In time-driven DEM simulation most computation time is taken by contact search stage. We propose an efficient collision detection method which is based on sorting particles by their coordinates. Using multiple sorting criteria allows minimizing number of potential neighbours and defines fitness of this approach for simulation of massive systems in 3D. This method is compared to a common approach that consists of placing particles onto a grid of cells. Advantage of the new approach is independence of simulation parameters upon particle radius and domain size.
Particle-transport simulation with the Monte Carlo method
International Nuclear Information System (INIS)
Carter, L.L.; Cashwell, E.D.
1975-01-01
Attention is focused on the application of the Monte Carlo method to particle transport problems, with emphasis on neutron and photon transport. Topics covered include sampling methods, mathematical prescriptions for simulating particle transport, mechanics of simulating particle transport, neutron transport, and photon transport. A literature survey of 204 references is included. (GMT)
Dynamic simulation of LMFBR systems
International Nuclear Information System (INIS)
Agrawal, A.K.; Khatib-Rahbar, M.
1980-01-01
This review article focuses on the dynamic analysis of liquid-metal-cooled fast breeder reactor systems in the context of protected transients. Following a brief discussion on various design and simulation approaches, a critical review of various models for in-reactor components, intermediate heat exchangers, heat transport systems and the steam generating system is presented. A brief discussion on choice of fuels as well as core and blanket system designs is also included. Numerical considerations for obtaining system-wide steady-state and transient solutions are discussed, and examples of various system transients are presented. Another area of major interest is verification of phenomenological models. Various steps involved in the code and model verification are briefly outlined. The review concludes by posing some further areas of interest in fast reactor dynamics and safety. (author)
Numerical simulation of particle settling and cohesion in liquid
Energy Technology Data Exchange (ETDEWEB)
Johno, Y; Nakashima, K; Shigematsu, T; Ono, B [SASEBO National College of Technology, 1-1 Okishin, Sasebo, Nagasaki, 857-1193 (Japan); Satomi, M, E-mail: yjohno@post.cc.sasebo.ac.j [Sony Semiconductor Kyushu Corporation, Kikuchigun, Kumamoto (Japan)
2009-02-01
In this study, the motions of particles and particle clusters in liquid were numerically simulated. The particles of two sizes (Dp=40mum and 20mum) settle while repeating cohesion and dispersion, and finally the sediment of particles are formed at the bottom of a hexahedron container which is filled up with pure water. The flow field was solved with the Navier-Stokes equations and the particle motions were solved with the Lagrangian-type motion equations, where the interaction between fluid and particles due to drag forces were taken into account. The collision among particles was calculated using Distinct Element Method (DEM), and the effects of cohesive forces by van der Waals force acting on particle contact points were taken into account. Numerical simulations were performed under conditions in still flow and in shear flow. It was found that the simulation results enable us to know the state of the particle settling and the particle condensation.
Structures and dynamics in a two-dimensional dipolar dust particle system
Hou, X. N.; Liu, Y. H.; Kravchenko, O. V.; Lapushkina, T. A.; Azarova, O. A.; Chen, Z. Y.; Huang, F.
2018-05-01
The effects of electric dipole moment, the number of dipolar particles, and system temperature on the structures and dynamics of a dipolar dust particle system are studied by molecular dynamics simulations. The results show that the larger electric dipole moment is favorable for the formation of a long-chain structure, the larger number of dipolar dust particles promotes the formation of the multi-chain structure, and the higher system temperature can cause higher rotation frequency. The trajectories, mean square displacement (MSD), and the corresponding spectrum functions of the MSDs are also calculated to illustrate the dynamics of the dipolar dust particle system, which is also closely related to the growth of dust particles. Some simulations are qualitatively in agreement with our experiments and can provide a guide for the study on dust growth, especially on the large-sized particles.
Human motion simulation predictive dynamics
Abdel-Malek, Karim
2013-01-01
Simulate realistic human motion in a virtual world with an optimization-based approach to motion prediction. With this approach, motion is governed by human performance measures, such as speed and energy, which act as objective functions to be optimized. Constraints on joint torques and angles are imposed quite easily. Predicting motion in this way allows one to use avatars to study how and why humans move the way they do, given specific scenarios. It also enables avatars to react to infinitely many scenarios with substantial autonomy. With this approach it is possible to predict dynamic motion without having to integrate equations of motion -- rather than solving equations of motion, this approach solves for a continuous time-dependent curve characterizing joint variables (also called joint profiles) for every degree of freedom. Introduces rigorous mathematical methods for digital human modelling and simulation Focuses on understanding and representing spatial relationships (3D) of biomechanics Develops an i...
Particle creation rate for dynamical black holes
Energy Technology Data Exchange (ETDEWEB)
Firouzjaee, Javad T. [School of Astronomy, Institute for Research in Fundamental Sciences (IPM), Tehran (Iran, Islamic Republic of); University of Oxford, Department of Physics (Astrophysics), Oxford (United Kingdom); Ellis, George F.R. [University of Cape Town, Mathematics and Applied Mathematics Department, Rondebosch (South Africa)
2016-11-15
We present the particle creation probability rate around a general black hole as an outcome of quantum fluctuations. Using the uncertainty principle for these fluctuation, we derive a new ultraviolet frequency cutoff for the radiation spectrum of a dynamical black hole. Using this frequency cutoff, we define the probability creation rate function for such black holes. We consider a dynamical Vaidya model and calculate the probability creation rate for this case when its horizon is in a slowly evolving phase. Our results show that one can expect the usual Hawking radiation emission process in the case of a dynamical black hole when it has a slowly evolving horizon. Moreover, calculating the probability rate for a dynamical black hole gives a measure of when Hawking radiation can be killed off by an incoming flux of matter or radiation. Our result strictly suggests that we have to revise the Hawking radiation expectation for primordial black holes that have grown substantially since they were created in the early universe. We also infer that this frequency cut off can be a parameter that shows the primordial black hole growth at the emission moment. (orig.)
Dynamic benchmarking of simulation codes
International Nuclear Information System (INIS)
Henry, R.E.; Paik, C.Y.; Hauser, G.M.
1996-01-01
Computer simulation of nuclear power plant response can be a full-scope control room simulator, an engineering simulator to represent the general behavior of the plant under normal and abnormal conditions, or the modeling of the plant response to conditions that would eventually lead to core damage. In any of these, the underlying foundation for their use in analysing situations, training of vendor/utility personnel, etc. is how well they represent what has been known from industrial experience, large integral experiments and separate effects tests. Typically, simulation codes are benchmarked with some of these; the level of agreement necessary being dependent upon the ultimate use of the simulation tool. However, these analytical models are computer codes, and as a result, the capabilities are continually enhanced, errors are corrected, new situations are imposed on the code that are outside of the original design basis, etc. Consequently, there is a continual need to assure that the benchmarks with important transients are preserved as the computer code evolves. Retention of this benchmarking capability is essential to develop trust in the computer code. Given the evolving world of computer codes, how is this retention of benchmarking capabilities accomplished? For the MAAP4 codes this capability is accomplished through a 'dynamic benchmarking' feature embedded in the source code. In particular, a set of dynamic benchmarks are included in the source code and these are exercised every time the archive codes are upgraded and distributed to the MAAP users. Three different types of dynamic benchmarks are used: plant transients; large integral experiments; and separate effects tests. Each of these is performed in a different manner. The first is accomplished by developing a parameter file for the plant modeled and an input deck to describe the sequence; i.e. the entire MAAP4 code is exercised. The pertinent plant data is included in the source code and the computer
Viscosity of dilute suspensions of rodlike particles: A numerical simulation method
Yamamoto, Satoru; Matsuoka, Takaaki
1994-02-01
The recently developed simulation method, named as the particle simulation method (PSM), is extended to predict the viscosity of dilute suspensions of rodlike particles. In this method a rodlike particle is modeled by bonded spheres. Each bond has three types of springs for stretching, bending, and twisting deformation. The rod model can therefore deform by changing the bond distance, bond angle, and torsion angle between paired spheres. The rod model can represent a variety of rigidity by modifying the bond parameters related to Young's modulus and the shear modulus of the real particle. The time evolution of each constituent sphere of the rod model is followed by molecular-dynamics-type approach. The intrinsic viscosity of a suspension of rodlike particles is derived from calculating an increased energy dissipation for each sphere of the rod model in a viscous fluid. With and without deformation of the particle, the motion of the rodlike particle was numerically simulated in a three-dimensional simple shear flow at a low particle Reynolds number and without Brownian motion of particles. The intrinsic viscosity of the suspension of rodlike particles was investigated on orientation angle, rotation orbit, deformation, and aspect ratio of the particle. For the rigid rodlike particle, the simulated rotation orbit compared extremely well with theoretical one which was obtained for a rigid ellipsoidal particle by use of Jeffery's equation. The simulated dependence of the intrinsic viscosity on various factors was also identical with that of theories for suspensions of rigid rodlike particles. For the flexible rodlike particle, the rotation orbit could be obtained by the particle simulation method and it was also cleared that the intrinsic viscosity decreased as occurring of recoverable deformation of the rodlike particle induced by flow.
Simulations of the structure and dynamics of nanoparticle-based ionic liquids
Hong, Bingbing; Chremos, Alexandros; Panagiotopoulos, Athanassios Z.
2012-01-01
We use molecular dynamics simulations over microsecond time scales to study the structure and dynamics of coarse-grained models for nanoparticle-based ionic liquids. The systems of interest consist of particles with charged surface groups and linear
Cloud-particle galactic gas dynamics and star formation
International Nuclear Information System (INIS)
Roberts, W.W. Jr.
1983-01-01
Galactic gas dynamics, spiral structure, and star formation are discussed in the context of N-body computational studies based on a cloud-particle model of the interstellar medium. On the small scale, the interstellar medium appears to be cloud-dominated and supernova-perturbed. The cloud-particle model simulates cloud-cloud collisions, the formation of stellar associations, and supernova explosions as dominant local processes. On the large scale in response to a spiral galactic gravitational field, global density waves and galactic shocks develop with large-scale characteristics similar to those found in continuum gas dynamical studies. Both the system of gas clouds and the system of young stellar associations forming from the clouds share in the global spiral structure. However, with the attributes of neither assuming a continuum of gas (as in continuum gas dynamical studies) nor requiring a prescribed equation of state such as the isothermal condition so often employed, the cloud-particle picture retains much of the detail lost in earlier work: namely, the small-scale features and structures so important in understanding the local, turbulent state of the interstellar medium as well as the degree of raggedness often observed superposed on global spiral structure. (Auth.)
Simulations of Granular Particles Under Cyclic Shear
Royer, John; Chaikin, Paul
2012-02-01
We perform molecular dynamics (MD) simulations of spherical grains subjected to cyclic, quasi-static shear in a 3D parallelepiped shear cell. This virtual shear cell is constructed out of rough, bumpy walls in order to minimize wall-induced ordering and has an open top surface to allow the packing to readily dilate or compact. Using a standard routine for MD simulations of frictional grains, we simulate over 1000 shear cycles, measuring grain displacements, the local packing density and changes in the contact network. Varying the shear amplitude and the friction coefficient between grains, we map out a phase diagram for the different types of behavior exhibited by these sheared grains. With low friction and high enough shear, the grains can spontaneously order into densely packed crystals. With low shear and increasing friction the packing remains disordered, yet the grains arrange themselves into configurations which exhibit limit cycles where all grains return to the same position after each full shear cycle. At higher shear and friction there is a transition to a diffusive state, where grains continue rearrange and move throughout the shear cell.
Combining molecular dynamics with mesoscopic Green’s function reaction dynamics simulations
Energy Technology Data Exchange (ETDEWEB)
Vijaykumar, Adithya, E-mail: vijaykumar@amolf.nl [FOM Institute AMOLF, Science Park 104, 1098 XG Amsterdam (Netherlands); van ’t Hoff Institute for Molecular Sciences, University of Amsterdam, P.O. Box 94157, 1090 GD Amsterdam (Netherlands); Bolhuis, Peter G. [van ’t Hoff Institute for Molecular Sciences, University of Amsterdam, P.O. Box 94157, 1090 GD Amsterdam (Netherlands); Rein ten Wolde, Pieter, E-mail: p.t.wolde@amolf.nl [FOM Institute AMOLF, Science Park 104, 1098 XG Amsterdam (Netherlands)
2015-12-07
In many reaction-diffusion processes, ranging from biochemical networks, catalysis, to complex self-assembly, the spatial distribution of the reactants and the stochastic character of their interactions are crucial for the macroscopic behavior. The recently developed mesoscopic Green’s Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. We propose a novel approach that combines GFRD for simulating the system at the mesoscopic scale where particles are far apart, with a microscopic technique such as Langevin dynamics or Molecular Dynamics (MD), for simulating the system at the microscopic scale where reactants are in close proximity. This scheme defines the regions where the particles are close together and simulated with high microscopic resolution and those where they are far apart and simulated with lower mesoscopic resolution, adaptively on the fly. The new multi-scale scheme, called MD-GFRD, is generic and can be used to efficiently simulate reaction-diffusion systems at the particle level.
Combining molecular dynamics with mesoscopic Green’s function reaction dynamics simulations
International Nuclear Information System (INIS)
Vijaykumar, Adithya; Bolhuis, Peter G.; Rein ten Wolde, Pieter
2015-01-01
In many reaction-diffusion processes, ranging from biochemical networks, catalysis, to complex self-assembly, the spatial distribution of the reactants and the stochastic character of their interactions are crucial for the macroscopic behavior. The recently developed mesoscopic Green’s Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. We propose a novel approach that combines GFRD for simulating the system at the mesoscopic scale where particles are far apart, with a microscopic technique such as Langevin dynamics or Molecular Dynamics (MD), for simulating the system at the microscopic scale where reactants are in close proximity. This scheme defines the regions where the particles are close together and simulated with high microscopic resolution and those where they are far apart and simulated with lower mesoscopic resolution, adaptively on the fly. The new multi-scale scheme, called MD-GFRD, is generic and can be used to efficiently simulate reaction-diffusion systems at the particle level
Explicit K-symplectic algorithms for charged particle dynamics
International Nuclear Information System (INIS)
He, Yang; Zhou, Zhaoqi; Sun, Yajuan; Liu, Jian; Qin, Hong
2017-01-01
We study the Lorentz force equation of charged particle dynamics by considering its K-symplectic structure. As the Hamiltonian of the system can be decomposed as four parts, we are able to construct the numerical methods that preserve the K-symplectic structure based on Hamiltonian splitting technique. The newly derived numerical methods are explicit, and are shown in numerical experiments to be stable over long-term simulation. The error convergency as well as the long term energy conservation of the numerical solutions is also analyzed by means of the Darboux transformation.
Explicit K-symplectic algorithms for charged particle dynamics
Energy Technology Data Exchange (ETDEWEB)
He, Yang [School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083 (China); Zhou, Zhaoqi [LSEC, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, P.O. Box 2719, Beijing 100190 (China); Sun, Yajuan, E-mail: sunyj@lsec.cc.ac.cn [LSEC, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, P.O. Box 2719, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Liu, Jian [Department of Modern Physics and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China); Key Laboratory of Geospace Environment, CAS, Hefei, Anhui 230026 (China); Qin, Hong [Department of Modern Physics and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China); Plasma Physics Laboratory, Princeton University, Princeton, NJ 08543 (United States)
2017-02-12
We study the Lorentz force equation of charged particle dynamics by considering its K-symplectic structure. As the Hamiltonian of the system can be decomposed as four parts, we are able to construct the numerical methods that preserve the K-symplectic structure based on Hamiltonian splitting technique. The newly derived numerical methods are explicit, and are shown in numerical experiments to be stable over long-term simulation. The error convergency as well as the long term energy conservation of the numerical solutions is also analyzed by means of the Darboux transformation.
Smoothed dissipative particle dynamics with angular momentum conservation
Energy Technology Data Exchange (ETDEWEB)
Müller, Kathrin, E-mail: k.mueller@fz-juelich.de; Fedosov, Dmitry A., E-mail: d.fedosov@fz-juelich.de; Gompper, Gerhard, E-mail: g.gompper@fz-juelich.de
2015-01-15
Smoothed dissipative particle dynamics (SDPD) combines two popular mesoscopic techniques, the smoothed particle hydrodynamics and dissipative particle dynamics (DPD) methods, and can be considered as an improved dissipative particle dynamics approach. Despite several advantages of the SDPD method over the conventional DPD model, the original formulation of SDPD by Español and Revenga (2003) [9], lacks angular momentum conservation, leading to unphysical results for problems where the conservation of angular momentum is essential. To overcome this limitation, we extend the SDPD method by introducing a particle spin variable such that local and global angular momentum conservation is restored. The new SDPD formulation (SDPD+a) is directly derived from the Navier–Stokes equation for fluids with spin, while thermal fluctuations are incorporated similarly to the DPD method. We test the new SDPD method and demonstrate that it properly reproduces fluid transport coefficients. Also, SDPD with angular momentum conservation is validated using two problems: (i) the Taylor–Couette flow with two immiscible fluids and (ii) a tank-treading vesicle in shear flow with a viscosity contrast between inner and outer fluids. For both problems, the new SDPD method leads to simulation predictions in agreement with the corresponding analytical theories, while the original SDPD method fails to capture properly physical characteristics of the systems due to violation of angular momentum conservation. In conclusion, the extended SDPD method with angular momentum conservation provides a new approach to tackle fluid problems such as multiphase flows and vesicle/cell suspensions, where the conservation of angular momentum is essential.
Liquid-vapor coexistence by molecular dynamics simulation
International Nuclear Information System (INIS)
Baranyai, Andras; Cummings, Peter T.
2000-01-01
We present a simple and consistent molecular dynamics algorithm for determining the equilibrium properties of a bulk liquid and its coexisting vapor phase. The simulation follows the dynamics of the two systems simultaneously while maintaining the volume and the number of particles of the composite system fixed. The thermostat can constrain either the total energy or the temperature at a desired value. Division of the extensive properties between the two phases is governed by the difference of the corresponding intensive state variables. Particle numbers are continuous variables and vary only in virtual sense, i.e., the real sizes of the two systems are the same and do not change during the course of the simulation. Calculation of the chemical potential is separate from the dynamics; thus, one can replace the particle exchange step with other method if it improves the efficiency of the code. (c) 2000 American Institute of Physics
Enhanced stopping of macro-particles in particle-in-cell simulations
International Nuclear Information System (INIS)
May, J.; Tonge, J.; Ellis, I.; Mori, W. B.; Fiuza, F.; Fonseca, R. A.; Silva, L. O.; Ren, C.
2014-01-01
We derive an equation for energy transfer from relativistic charged particles to a cold background plasma appropriate for finite-size particles that are used in particle-in-cell simulation codes. Expressions for one-, two-, and three-dimensional particles are presented, with special attention given to the two-dimensional case. This energy transfer is due to the electric field of the wake set up in the background plasma by the relativistic particle. The enhanced stopping is dependent on the q 2 /m, where q is the charge and m is the mass of the relativistic particle, and therefore simulation macro-particles with large charge but identical q/m will stop more rapidly. The stopping power also depends on the effective particle shape of the macro-particle. These conclusions are verified in particle-in-cell simulations. We present 2D simulations of test particles, relaxation of high-energy tails, and integrated fast ignition simulations showing that the enhanced drag on macro-particles may adversely affect the results of these simulations in a wide range of high-energy density plasma scenarios. We also describe a particle splitting algorithm which can potentially overcome this problem and show its effect in controlling the stopping of macro-particles
CFD simulation of gas and particles combustion in biomass furnaces
Energy Technology Data Exchange (ETDEWEB)
Griselin, Nicolas
2000-11-01
In this thesis, gas and particle combustion in biomass furnaces is investigated numerically. The aim of this thesis is to use Computational Fluid Dynamics (CFD) technology as an effective computer based simulation tool to study and develop the combustion processes in biomass furnaces. A detailed model for the numerical simulation of biomass combustion in a furnace, including fixed-bed modeling, gas-phase calculation (species distribution, temperature field, flow field) and gas-solid two-phase interaction for flying burning particles is presented. This model is used to understand the mechanisms of combustion and pollutant emissions under different conditions in small scale and large scale furnaces. The code used in the computations was developed at the Division of Fluid Mechanics, LTH. The flow field in the combustion enclosure is calculated by solving the Favre-averaged Navier-Stokes equations, with standard {kappa} - {epsilon} turbulence closure, together with the energy conservation equation and species transport equations. Discrete transfer method is used for calculating the radiation source term in the energy conservation equation. Finite difference is used to solve the general form of the equation yielding solutions for gas-phase temperatures, velocities, turbulence intensities and species concentrations. The code has been extended through this work in order to include two-phase flow simulation of particles and gas combustion. The Favre-averaged gas equations are solved in a Eulerian framework while the submodels for particle motion and combustion are used in the framework of a Lagrangian approach. Numerical simulations and measurement data of unburned hydrocarbons (UHC), CO, H{sub 2}, O{sub 2} and temperature on the top of the fixed bed are used to model the amount of tar and char formed during pyrolysis and combustion of biomass fuel in the bed. Different operating conditions are examined. Numerical calculations are compared with the measured data. It is
Novotny, M.A.
2010-02-01
The efficiency of dynamic Monte Carlo algorithms for off-lattice systems composed of particles is studied for the case of a single impurity particle. The theoretical efficiencies of the rejection-free method and of the Monte Carlo with Absorbing Markov Chains method are given. Simulation results are presented to confirm the theoretical efficiencies. © 2010.
Development of 2D particle-in-cell code to simulate high current, low ...
Indian Academy of Sciences (India)
Abstract. A code for 2D space-charge dominated beam dynamics study in beam trans- port lines is developed. The code is used for particle-in-cell (PIC) simulation of z-uniform beam in a channel containing solenoids and drift space. It can also simulate a transport line where quadrupoles are used for focusing the beam.
Plasma Interaction and Energetic Particle Dynamics near Callisto
Liuzzo, L.; Simon, S.; Feyerabend, M.; Motschmann, U. M.
2017-12-01
Callisto's magnetic environment is characterized by a complex admixture of induction signals from its conducting subsurface ocean, the interaction of corotating Jovian magnetospheric plasma with the moon's ionosphere and induced dipole, and the non-linear coupling between the effects. In contrast to other Galilean moons, ion gyroradii near Callisto are comparable to its size, requiring a kinetic treatment of the interaction region near the moon. Thus, we apply the hybrid simulation code AIKEF to constrain the competing effects of plasma interaction and induction. We determine their influence on the magnetic field signatures measured by Galileo during various Callisto flybys. We use the magnetic field calculated by the model to investigate energetic particle dynamics and their effect on Callisto's environment. From this, we provide a map of global energetic particle precipitation onto Callisto's surface, which may contribute to the generation of its atmosphere.
Analysis of the dynamic interaction between SVOCs and airborne particles
DEFF Research Database (Denmark)
Liu, Cong; Shi, Shanshan; Weschler, Charles J.
2013-01-01
A proper quantitative understanding of the dynamic interaction between gas-phase semivolatile organic compounds (SVOCs) and airborne particles is important for human exposure assessment and risk evaluation. Questions regarding how to properly address gas/particle interactions have introduced...
An extended dissipative particle dynamics model
Cotter, C J
2003-01-01
The method of dissipative particle dynamics (DPD) was introduced by Hoogerbrugge & Koelman to study meso-scale material processes. The theoretical investigation of the DPD method was initiated by Espanol who used a Fokker-Planck formulation of the DPD method and applied the Mori-Zwanzig projection operator calculus to obtain the equations of hydrodynamics for DPD. A current limitation of DPD is that it requires a clear separation of scales between the resolved and unresolved processes. In this note, we suggest a simple extension of DPD that allows for inclusion of unresolved processes with exponentially decaying variance for any value of the decay rate. The main point of the extension is that it is as easy to implement as DPD in a numerical algorithm.
Flavor with a light dynamical "Higgs particle"
Alonso, R.; Merlo, L.; Rigolin, S.; Yepes, J.
2013-01-01
The Higgs-fermion couplings are sensitive probes of possible new physics behind a stable light Higgs particle. It is then essential to identify the flavour pattern of those interactions. We consider the case in which a strong dynamics lies behind a light Higgs, and explore the implications within the Minimal Flavour Violation ansatz. The dominant effects on flavour-changing Higgs-fermion couplings stem in this context from operators with mass dimension <6, and we analyze all relevant chiral operators up to that order, including loop-corrections induced by 4-dimensional ones. Bounds on the operator coefficients are derived from a plethora of low-energy flavour transitions, providing a guideline on which flavour-changing Higgs interactions may be open to experimental scrutiny. In particular, the coefficient of a genuinely CP-odd operator is only softly constrained and therefore its impact is potentially interesting.
Data simulation for the Associated Particle Imaging system
International Nuclear Information System (INIS)
Tunnell, L.N.
1994-01-01
A data simulation procedure for the Associated Particle Imaging (API) system has been developed by postprocessing output from the Monte Carlo Neutron Photon (MCNP) code. This paper compares the simulated results to our experimental data
Traffic flow dynamics. Data, models and simulation
Energy Technology Data Exchange (ETDEWEB)
Treiber, Martin [Technische Univ. Dresden (Germany). Inst. fuer Wirtschaft und Verkehr; Kesting, Arne [TomTom Development Germany GmbH, Berlin (Germany)
2013-07-01
First comprehensive textbook of this fascinating interdisciplinary topic which explains advances in a way that it is easily accessible to engineering, physics and math students. Presents practical applications of traffic theory such as driving behavior, stability analysis, stop-and-go waves, and travel time estimation. Presents the topic in a novel and systematic way by addressing both microscopic and macroscopic models with a focus on traffic instabilities. Revised and extended edition of the German textbook ''Verkehrsdynamik und -simulation''. This textbook provides a comprehensive and instructive coverage of vehicular traffic flow dynamics and modeling. It makes this fascinating interdisciplinary topic, which to date was only documented in parts by specialized monographs, accessible to a broad readership. Numerous figures and problems with solutions help the reader to quickly understand and practice the presented concepts. This book is targeted at students of physics and traffic engineering and, more generally, also at students and professionals in computer science, mathematics, and interdisciplinary topics. It also offers material for project work in programming and simulation at college and university level. The main part, after presenting different categories of traffic data, is devoted to a mathematical description of the dynamics of traffic flow, covering macroscopic models which describe traffic in terms of density, as well as microscopic many-particle models in which each particle corresponds to a vehicle and its driver. Focus chapters on traffic instabilities and model calibration/validation present these topics in a novel and systematic way. Finally, the theoretical framework is shown at work in selected applications such as traffic-state and travel-time estimation, intelligent transportation systems, traffic operations management, and a detailed physics-based model for fuel consumption and emissions.
A dissipative particle dynamics method for arbitrarily complex geometries
Li, Zhen; Bian, Xin; Tang, Yu-Hang; Karniadakis, George Em
2018-02-01
Dissipative particle dynamics (DPD) is an effective Lagrangian method for modeling complex fluids in the mesoscale regime but so far it has been limited to relatively simple geometries. Here, we formulate a local detection method for DPD involving arbitrarily shaped geometric three-dimensional domains. By introducing an indicator variable of boundary volume fraction (BVF) for each fluid particle, the boundary of arbitrary-shape objects is detected on-the-fly for the moving fluid particles using only the local particle configuration. Therefore, this approach eliminates the need of an analytical description of the boundary and geometry of objects in DPD simulations and makes it possible to load the geometry of a system directly from experimental images or computer-aided designs/drawings. More specifically, the BVF of a fluid particle is defined by the weighted summation over its neighboring particles within a cutoff distance. Wall penetration is inferred from the value of the BVF and prevented by a predictor-corrector algorithm. The no-slip boundary condition is achieved by employing effective dissipative coefficients for liquid-solid interactions. Quantitative evaluations of the new method are performed for the plane Poiseuille flow, the plane Couette flow and the Wannier flow in a cylindrical domain and compared with their corresponding analytical solutions and (high-order) spectral element solution of the Navier-Stokes equations. We verify that the proposed method yields correct no-slip boundary conditions for velocity and generates negligible fluctuations of density and temperature in the vicinity of the wall surface. Moreover, we construct a very complex 3D geometry - the "Brown Pacman" microfluidic device - to explicitly demonstrate how to construct a DPD system with complex geometry directly from loading a graphical image. Subsequently, we simulate the flow of a surfactant solution through this complex microfluidic device using the new method. Its
A eural etwork Model for Dynamics Simulation
African Journals Online (AJOL)
Nafiisah
Results 5 - 18 ... situations, such as a dynamic environment (e.g., a molecular dynamics (MD) simulation whereby an atom constantly changes its local environment and number ..... of systems including both small clusters and bulk structures. 7.
Viscosity measurement techniques in Dissipative Particle Dynamics
Boromand, Arman; Jamali, Safa; Maia, Joao M.
2015-11-01
In this study two main groups of viscosity measurement techniques are used to measure the viscosity of a simple fluid using Dissipative Particle Dynamics, DPD. In the first method, a microscopic definition of the pressure tensor is used in equilibrium and out of equilibrium to measure the zero-shear viscosity and shear viscosity, respectively. In the second method, a periodic Poiseuille flow and start-up transient shear flow is used and the shear viscosity is obtained from the velocity profiles by a numerical fitting procedure. Using the standard Lees-Edward boundary condition for DPD will result in incorrect velocity profiles at high values of the dissipative parameter. Although this issue was partially addressed in Chatterjee (2007), in this work we present further modifications (Lagrangian approach) to the original LE boundary condition (Eulerian approach) that will fix the deviation from the desired shear rate at high values of the dissipative parameter and decrease the noise to signal ratios in stress measurement while increases the accessible low shear rate window. Also, the thermostat effect of the dissipative and random forces is coupled to the dynamic response of the system and affects the transport properties like the viscosity and diffusion coefficient. We investigated thoroughly the dependency of viscosity measured by both Eulerian and Lagrangian methodologies, as well as numerical fitting procedures and found that all the methods are in quantitative agreement.
Modeling Dynamic Objects in Monte Carlo Particle Transport Calculations
International Nuclear Information System (INIS)
Yegin, G.
2008-01-01
In this study, the Multi-Geometry geometry modeling technique was improved in order to handle moving objects in a Monte Carlo particle transport calculation. In the Multi-Geometry technique, the geometry is a superposition of objects not surfaces. By using this feature, we developed a new algorithm which allows a user to make enable or disable geometry elements during particle transport. A disabled object can be ignored at a certain stage of a calculation and switching among identical copies of the same object located adjacent poins during a particle simulation corresponds to the movement of that object in space. We called this powerfull feature as Dynamic Multi-Geometry technique (DMG) which is used for the first time in Brachy Dose Monte Carlo code to simulate HDR brachytherapy treatment systems. Our results showed that having disabled objects in a geometry does not effect calculated dose values. This technique is also suitable to be used in other areas such as IMRT treatment planning systems
Dynamics of Laboratory Simulated Microbursts
Alahyari, Abbas Alexander
1995-01-01
A downburst (or microburst) is an intense, localized downdraft of cold air which reaches the Earth and spreads radially outward after it impinges on the ground. Downdrafts are typically induced by rapid evaporation of moisture or melting of hail. The divergent outflow created by a microburst produces strong winds in opposite directions. The sudden changes in the speed and direction of both horizontal and vertical winds within a microburst can create hazardous conditions for aircraft within 1000 ft of the ground, particularly during takeoff and landing. The objective of this investigation was to obtain detailed measurements within a laboratory -simulated version of this flow. The flow was modeled experimentally by releasing a small volume of heavier fluid into a less dense ambient surrounding. The heavier fluid impinged on a horizontal plate which represented the ground. Indices of refraction of the light and heavy fluid were matched to yield clear photographic images. Particle image velocimetry (PIV) was used to obtain detailed maps of the instantaneous velocity fields within horizontal and vertical cross sections through the flow. Laser-induced fluorescence (LIF) was used to determine the local concentration of heavy fluid within the downburst flow at different times. PIV measurements showed that the leading edge of the falling fluid rolled up into a vortex ring which then impacted on the ground and expanded radially outward. After touchdown, the largest horizontal velocities occurred beneath the vortex ring but also extended over some distance upstream of the vortex core. PIV results showed small vertical velocity gradients in the region below the core of the vortex ring. The effects of parameters such as initial release height and release volume shape were investigated. Using appropriate length and time scales, the measured velocities were scaled to and compared with previously studied atmospheric microbursts. The experimental data generally agree well with
Large scale Brownian dynamics of confined suspensions of rigid particles
Sprinkle, Brennan; Balboa Usabiaga, Florencio; Patankar, Neelesh A.; Donev, Aleksandar
2017-12-01
We introduce methods for large-scale Brownian Dynamics (BD) simulation of many rigid particles of arbitrary shape suspended in a fluctuating fluid. Our method adds Brownian motion to the rigid multiblob method [F. Balboa Usabiaga et al., Commun. Appl. Math. Comput. Sci. 11(2), 217-296 (2016)] at a cost comparable to the cost of deterministic simulations. We demonstrate that we can efficiently generate deterministic and random displacements for many particles using preconditioned Krylov iterative methods, if kernel methods to efficiently compute the action of the Rotne-Prager-Yamakawa (RPY) mobility matrix and its "square" root are available for the given boundary conditions. These kernel operations can be computed with near linear scaling for periodic domains using the positively split Ewald method. Here we study particles partially confined by gravity above a no-slip bottom wall using a graphical processing unit implementation of the mobility matrix-vector product, combined with a preconditioned Lanczos iteration for generating Brownian displacements. We address a major challenge in large-scale BD simulations, capturing the stochastic drift term that arises because of the configuration-dependent mobility. Unlike the widely used Fixman midpoint scheme, our methods utilize random finite differences and do not require the solution of resistance problems or the computation of the action of the inverse square root of the RPY mobility matrix. We construct two temporal schemes which are viable for large-scale simulations, an Euler-Maruyama traction scheme and a trapezoidal slip scheme, which minimize the number of mobility problems to be solved per time step while capturing the required stochastic drift terms. We validate and compare these schemes numerically by modeling suspensions of boomerang-shaped particles sedimented near a bottom wall. Using the trapezoidal scheme, we investigate the steady-state active motion in dense suspensions of confined microrollers, whose
Kordilla, J.; Bresinsky, L. T.; Shigorina, E.; Noffz, T.; Dentz, M.; Sauter, M.; Tartakovsky, A. M.
2017-12-01
Preferential flow dynamics in unsaturated fractures remain a challenging topic on various scales. On pore- and fracture-scales the highly erratic gravity-driven flow dynamics often provoke a strong deviation from classical volume-effective approaches. Against the common notion that flow in fractures (or macropores) can only occur under equilibrium conditions, i.e., if the surrounding porous matrix is fully saturated and capillary pressures are high enough to allow filling of the fracture void space, arrival times suggest the existence of rapid preferential flow along fractures, fracture networks, and fault zones, even if the matrix is not fully saturated. Modeling such flows requires efficient numerical techniques to cover various flow-relevant physics, such as surface tension, static and dynamic contact angles, free-surface (multi-phase) interface dynamics, and formation of singularities. Here we demonstrate the importance of such flow modes on the partitioning dynamics at simple fracture intersections, with a combination of laboratory experiments, analytical solutions and numerical simulations using our newly developed massively parallel smoothed particle hydrodynamics (SPH) code. Flow modes heavily influence the "bypass" behavior of water flowing along a fracture junction. Flows favoring the formation of droplets exhibit a much stronger bypass capacity compared to rivulet flows, where nearly the whole fluid mass is initially stored within the horizontal fracture. This behavior is demonstrated for a multi-inlet laboratory setup where the inlet-specific flow rate is chosen so that either a droplet or rivulet flow persists. The effect of fluid buffering within the horizontal fracture is presented in terms of dimensionless fracture inflow so that characteristic scaling regimes can be recovered. For both cases (rivulets and droplets), flow within the horizontal fracture transitions into a Washburn regime until a critical threshold is reached and the bypass efficiency
Particle Image Velocimetry and Computational Fluid Dynamics Analysis of Fuel Cell Manifold
DEFF Research Database (Denmark)
Lebæk, Jesper; Blazniak Andreasen, Marcin; Andresen, Henrik Assenholm
2010-01-01
The inlet effect on the manifold flow in a fuel cell stack was investigated by means of numerical methods (computational fluid dynamics) and experimental methods (particle image velocimetry). At a simulated high current density situation the flow field was mapped on a 70 cell simulated cathode...
Discrete Particle Method for Simulating Hypervelocity Impact Phenomena
Directory of Open Access Journals (Sweden)
Erkai Watson
2017-04-01
Full Text Available In this paper, we introduce a computational model for the simulation of hypervelocity impact (HVI phenomena which is based on the Discrete Element Method (DEM. Our paper constitutes the first application of DEM to the modeling and simulating of impact events for velocities beyond 5 kms-1. We present here the results of a systematic numerical study on HVI of solids. For modeling the solids, we use discrete spherical particles that interact with each other via potentials. In our numerical investigations we are particularly interested in the dynamics of material fragmentation upon impact. We model a typical HVI experiment configuration where a sphere strikes a thin plate and investigate the properties of the resulting debris cloud. We provide a quantitative computational analysis of the resulting debris cloud caused by impact and a comprehensive parameter study by varying key parameters of our model. We compare our findings from the simulations with recent HVI experiments performed at our institute. Our findings are that the DEM method leads to very stable, energy–conserving simulations of HVI scenarios that map the experimental setup where a sphere strikes a thin plate at hypervelocity speed. Our chosen interaction model works particularly well in the velocity range where the local stresses caused by impact shock waves markedly exceed the ultimate material strength.
High performance stream computing for particle beam transport simulations
International Nuclear Information System (INIS)
Appleby, R; Bailey, D; Higham, J; Salt, M
2008-01-01
Understanding modern particle accelerators requires simulating charged particle transport through the machine elements. These simulations can be very time consuming due to the large number of particles and the need to consider many turns of a circular machine. Stream computing offers an attractive way to dramatically improve the performance of such simulations by calculating the simultaneous transport of many particles using dedicated hardware. Modern Graphics Processing Units (GPUs) are powerful and affordable stream computing devices. The results of simulations of particle transport through the booster-to-storage-ring transfer line of the DIAMOND synchrotron light source using an NVidia GeForce 7900 GPU are compared to the standard transport code MAD. It is found that particle transport calculations are suitable for stream processing and large performance increases are possible. The accuracy and potential speed gains are compared and the prospects for future work in the area are discussed
Simulation of concentration distribution of urban particles under wind
Chen, Yanghou; Yang, Hangsheng
2018-02-01
The concentration of particulate matter in the air is too high, which seriously affects people’s health. The concentration of particles in densely populated towns is also high. Understanding the distribution of particles in the air helps to remove them passively. The concentration distribution of particles in urban streets is simulated by using the FLUENT software. The simulation analysis based on Discrete Phase Modelling (DPM) of FLUENT. Simulation results show that the distribution of the particles is caused by different layout of buildings. And it is pointed out that in the windward area of the building and the leeward sides of the high-rise building are the areas with high concentration of particles. Understanding the concentration of particles in different areas is also helpful for people to avoid and reduce the concentration of particles in high concentration areas.
The Development and Comparison of Molecular Dynamics Simulation and Monte Carlo Simulation
Chen, Jundong
2018-03-01
Molecular dynamics is an integrated technology that combines physics, mathematics and chemistry. Molecular dynamics method is a computer simulation experimental method, which is a powerful tool for studying condensed matter system. This technique not only can get the trajectory of the atom, but can also observe the microscopic details of the atomic motion. By studying the numerical integration algorithm in molecular dynamics simulation, we can not only analyze the microstructure, the motion of particles and the image of macroscopic relationship between them and the material, but can also study the relationship between the interaction and the macroscopic properties more conveniently. The Monte Carlo Simulation, similar to the molecular dynamics, is a tool for studying the micro-molecular and particle nature. In this paper, the theoretical background of computer numerical simulation is introduced, and the specific methods of numerical integration are summarized, including Verlet method, Leap-frog method and Velocity Verlet method. At the same time, the method and principle of Monte Carlo Simulation are introduced. Finally, similarities and differences of Monte Carlo Simulation and the molecular dynamics simulation are discussed.
Energy Technology Data Exchange (ETDEWEB)
Smith, Jovanca J.; Bishop, Joseph E.
2013-11-01
This report summarizes the work performed by the graduate student Jovanca Smith during a summer internship in the summer of 2012 with the aid of mentor Joe Bishop. The projects were a two-part endeavor that focused on the use of the numerical model called the Lattice Discrete Particle Model (LDPM). The LDPM is a discrete meso-scale model currently used at Northwestern University and the ERDC to model the heterogeneous quasi-brittle material, concrete. In the first part of the project, LDPM was compared to the Karagozian and Case Concrete Model (K&C) used in Presto, an explicit dynamics finite-element code, developed at Sandia National Laboratories. In order to make this comparison, a series of quasi-static numerical experiments were performed, namely unconfined uniaxial compression tests on four varied cube specimen sizes, three-point bending notched experiments on three proportional specimen sizes, and six triaxial compression tests on a cylindrical specimen. The second part of this project focused on the application of LDPM to simulate projectile perforation on an ultra high performance concrete called CORTUF. This application illustrates the strengths of LDPM over traditional continuum models.
Approximation of quantum observables by molecular dynamics simulations
Sandberg, Mattias
2016-01-01
In this talk I will discuss how to estimate the uncertainty in molecular dynamics simulations. Molecular dynamics is a computational method to study molecular systems in materials science, chemistry, and molecular biology. The wide popularity of molecular dynamics simulations relies on the fact that in many cases it agrees very well with experiments. If we however want the simulation to predict something that has no comparing experiment, we need a mathematical estimate of the accuracy of the computation. In the case of molecular systems with few particles, such studies are made by directly solving the Schrodinger equation. In this talk I will discuss theoretical results on the accuracy between quantum mechanics and molecular dynamics, to be used for systems that are too large to be handled computationally by the Schrodinger equation.
Approximation of quantum observables by molecular dynamics simulations
Sandberg, Mattias
2016-01-06
In this talk I will discuss how to estimate the uncertainty in molecular dynamics simulations. Molecular dynamics is a computational method to study molecular systems in materials science, chemistry, and molecular biology. The wide popularity of molecular dynamics simulations relies on the fact that in many cases it agrees very well with experiments. If we however want the simulation to predict something that has no comparing experiment, we need a mathematical estimate of the accuracy of the computation. In the case of molecular systems with few particles, such studies are made by directly solving the Schrodinger equation. In this talk I will discuss theoretical results on the accuracy between quantum mechanics and molecular dynamics, to be used for systems that are too large to be handled computationally by the Schrodinger equation.
Simulating immersed particle collisions: the Devil's in the details
Biegert, Edward; Vowinckel, Bernhard; Meiburg, Eckart
2015-11-01
Simulating densely-packed particle-laden flows with any degree of confidence requires accurate modeling of particle-particle collisions. To this end, we investigate a few collision models from the fluids and granular flow communities using sphere-wall collisions, which have been studied by a number of experimental groups. These collisions involve enough complexities--gravity, particle-wall lubrication forces, particle-wall contact stresses, particle-wake interactions--to challenge any collision model. Evaluating the successes and shortcomings of the collision models, we seek improvements in order to obtain more consistent results. We will highlight several implementation details that are crucial for obtaining accurate results.
Dynamic simulations of many-body electrostatic self-assembly
Lindgren, Eric B.; Stamm, Benjamin; Maday, Yvon; Besley, Elena; Stace, A. J.
2018-03-01
Two experimental studies relating to electrostatic self-assembly have been the subject of dynamic computer simulations, where the consequences of changing the charge and the dielectric constant of the materials concerned have been explored. One series of calculations relates to experiments on the assembly of polymer particles that have been subjected to tribocharging and the simulations successfully reproduce many of the observed patterns of behaviour. A second study explores events observed following collisions between single particles and small clusters composed of charged particles derived from a metal oxide composite. As before, observations recorded during the course of the experiments are reproduced by the calculations. One study in particular reveals how particle polarizability can influence the assembly process. This article is part of the theme issue `Modern theoretical chemistry'.
Fractional dynamics of charged particles in magnetic fields
Coronel-Escamilla, A.; Gómez-Aguilar, J. F.; Alvarado-Méndez, E.; Guerrero-Ramírez, G. V.; Escobar-Jiménez, R. F.
2016-02-01
In many physical applications the electrons play a relevant role. For example, when a beam of electrons accelerated to relativistic velocities is used as an active medium to generate Free Electron Lasers (FEL), the electrons are bound to atoms, but move freely in a magnetic field. The relaxation time, longitudinal effects and transverse variations of the optical field are parameters that play an important role in the efficiency of this laser. The electron dynamics in a magnetic field is a means of radiation source for coupling to the electric field. The transverse motion of the electrons leads to either gain or loss energy from or to the field, depending on the position of the particle regarding the phase of the external radiation field. Due to the importance to know with great certainty the displacement of charged particles in a magnetic field, in this work we study the fractional dynamics of charged particles in magnetic fields. Newton’s second law is considered and the order of the fractional differential equation is (0;1]. Based on the Grünwald-Letnikov (GL) definition, the discretization of fractional differential equations is reported to get numerical simulations. Comparison between the numerical solutions obtained on Euler’s numerical method for the classical case and the GL definition in the fractional approach proves the good performance of the numerical scheme applied. Three application examples are shown: constant magnetic field, ramp magnetic field and harmonic magnetic field. In the first example the results obtained show bistability. Dissipative effects are observed in the system and the standard dynamic is recovered when the order of the fractional derivative is 1.
Dynamic self-organization in particle-laden channel flow
Geurts, Bernardus J.; Vreman, A.W.
2006-01-01
We study dynamic flow-structuring and mean-flow properties of turbulent particle-laden riser-flow at significant particle volume fractions of about 1.5%. We include particle–particle as well as particle–fluid interactions through inelastic collisions and drag forces, in a so-called four-way coupled
Beam dynamics simulations using a parallel version of PARMILA
International Nuclear Information System (INIS)
Ryne, R.D.
1996-01-01
The computer code PARMILA has been the primary tool for the design of proton and ion linacs in the United States for nearly three decades. Previously it was sufficient to perform simulations with of order 10000 particles, but recently the need to perform high resolution halo studies for next-generation, high intensity linacs has made it necessary to perform simulations with of order 100 million particles. With the advent of massively parallel computers such simulations are now within reach. Parallel computers already make it possible, for example, to perform beam dynamics calculations with tens of millions of particles, requiring over 10 GByte of core memory, in just a few hours. Also, parallel computers are becoming easier to use thanks to the availability of mature, Fortran-like languages such as Connection Machine Fortran and High Performance Fortran. We will describe our experience developing a parallel version of PARMILA and the performance of the new code
Beam dynamics simulations using a parallel version of PARMILA
International Nuclear Information System (INIS)
Ryne, Robert
1996-01-01
The computer code PARMILA has been the primary tool for the design of proton and ion linacs in the United States for nearly three decades. Previously it was sufficient to perform simulations with of order 10000 particles, but recently the need to perform high resolution halo studies for next-generation, high intensity linacs has made it necessary to perform simulations with of order 100 million particles. With the advent of massively parallel computers such simulations are now within reach. Parallel computers already make it possible, for example, to perform beam dynamics calculations with tens of millions of particles, requiring over 10 GByte of core memory, in just a few hours. Also, parallel computers are becoming easier to use thanks to the availability of mature, Fortran-like languages such as Connection Machine Fortran and High Performance Fortran. We will describe our experience developing a parallel version of PARMILA and the performance of the new code. (author)
Coalescence of silver unidimensional structures by molecular dynamics simulation
International Nuclear Information System (INIS)
Perez A, M.; Gutierrez W, C.E.; Mondragon, G.; Arenas, J.
2007-01-01
The study of nanoparticles coalescence and silver nano rods phenomena by means of molecular dynamics simulation under the thermodynamic laws is reported. In this work we focus ourselves to see the conditions under which the one can be given one dimension growth of silver nano rods for the coalescence phenomenon among two nano rods or one nano rod and one particle; what allows us to study those structural, dynamic and morphological properties of the silver nano rods to different thermodynamic conditions. The simulations are carried out using the Sutton-Chen potentials of interaction of many bodies that allow to obtain appropriate results with the real physical systems. (Author)
The dynamics of a charged particle
Rohrlich, Fritz
2008-01-01
Using physical arguments, I derive the physically correct equations of motion for a classical charged particle from the Lorentz-Abraham-Dirac equations (LAD) which are well known to be physically incorrect. Since a charged particle can classically not be a point particle because of the Coulomb field divergence, my derivation accounts for that by imposing a basic condition on the external force. That condition ensures that the particle's finite size charge distribution looks like a point charg...
Effects of dynamical quarks in UKQCD simulations
International Nuclear Information System (INIS)
Allton, Chris
2002-01-01
Recent results from the UKQCD Collaboration's dynamical simulations are presented. The main feature of these ensembles is that they have a fixed lattice spacing and volume, but varying sea quark mass from infinite (corresponding to the quenched simulation) down to roughly that of the strange quark mass. The main aim of this work is to uncover dynamical quark effects from these 'matched' ensembles. We obtain some evidence of dynamical quark effects in the static quark potential with less effects in the hadronic spectrum
A Coulomb collision algorithm for weighted particle simulations
Miller, Ronald H.; Combi, Michael R.
1994-01-01
A binary Coulomb collision algorithm is developed for weighted particle simulations employing Monte Carlo techniques. Charged particles within a given spatial grid cell are pair-wise scattered, explicitly conserving momentum and implicitly conserving energy. A similar algorithm developed by Takizuka and Abe (1977) conserves momentum and energy provided the particles are unweighted (each particle representing equal fractions of the total particle density). If applied as is to simulations incorporating weighted particles, the plasma temperatures equilibrate to an incorrect temperature, as compared to theory. Using the appropriate pairing statistics, a Coulomb collision algorithm is developed for weighted particles. The algorithm conserves energy and momentum and produces the appropriate relaxation time scales as compared to theoretical predictions. Such an algorithm is necessary for future work studying self-consistent multi-species kinetic transport.
Metrics for comparing dynamic earthquake rupture simulations
Barall, Michael; Harris, Ruth A.
2014-01-01
Earthquakes are complex events that involve a myriad of interactions among multiple geologic features and processes. One of the tools that is available to assist with their study is computer simulation, particularly dynamic rupture simulation. A dynamic rupture simulation is a numerical model of the physical processes that occur during an earthquake. Starting with the fault geometry, friction constitutive law, initial stress conditions, and assumptions about the condition and response of the near‐fault rocks, a dynamic earthquake rupture simulation calculates the evolution of fault slip and stress over time as part of the elastodynamic numerical solution (Ⓔ see the simulation description in the electronic supplement to this article). The complexity of the computations in a dynamic rupture simulation make it challenging to verify that the computer code is operating as intended, because there are no exact analytic solutions against which these codes’ results can be directly compared. One approach for checking if dynamic rupture computer codes are working satisfactorily is to compare each code’s results with the results of other dynamic rupture codes running the same earthquake simulation benchmark. To perform such a comparison consistently, it is necessary to have quantitative metrics. In this paper, we present a new method for quantitatively comparing the results of dynamic earthquake rupture computer simulation codes.
Studying protein assembly with reversible Brownian dynamics of patchy particles
International Nuclear Information System (INIS)
Klein, Heinrich C. R.; Schwarz, Ulrich S.
2014-01-01
Assembly of protein complexes like virus shells, the centriole, the nuclear pore complex, or the actin cytoskeleton is strongly determined by their spatial structure. Moreover, it is becoming increasingly clear that the reversible nature of protein assembly is also an essential element for their biological function. Here we introduce a computational approach for the Brownian dynamics of patchy particles with anisotropic assemblies and fully reversible reactions. Different particles stochastically associate and dissociate with microscopic reaction rates depending on their relative spatial positions. The translational and rotational diffusive properties of all protein complexes are evaluated on-the-fly. Because we focus on reversible assembly, we introduce a scheme which ensures detailed balance for patchy particles. We then show how the macroscopic rates follow from the microscopic ones. As an instructive example, we study the assembly of a pentameric ring structure, for which we find excellent agreement between simulation results and a macroscopic kinetic description without any adjustable parameters. This demonstrates that our approach correctly accounts for both the diffusive and reactive processes involved in protein assembly
Semiclassical transport of particles with dynamical spectral functions
International Nuclear Information System (INIS)
Cassing, W.; Juchem, S.
2000-01-01
The conventional transport of particles in the on-shell quasiparticle limit is extended to particles of finite life time by means of a spectral function A(X,P,M 2 ) for a particle moving in an area of complex self-energy Σ ret X =Re Σ ret X -iΓ X /2. Starting from the Kadanoff--Baym equations we derive in first-order gradient expansion equations of motion for testparticles with respect to their time evolution in X,P and M 2 . The off-shell propagation is demonstrated for a couple of model cases that simulate hadron-nucleus collisions. In case of nucleus-nucleus collisions the imaginary part of the hadron self-energy Γ X is determined by the local space-time dependent collision rate dynamically. A first application is presented for A+A reactions up to 95 A MeV, where the effects from the off-shell propagation of nucleons are discussed with respect to high energy proton spectra, high energy photon production as well as kaon yields in comparison to the available data from GANIL
Studying protein assembly with reversible Brownian dynamics of patchy particles
Energy Technology Data Exchange (ETDEWEB)
Klein, Heinrich C. R. [Institute for Theoretical Physics, Heidelberg University, 69120 Heidelberg (Germany); Schwarz, Ulrich S., E-mail: ulrich.schwarz@bioquant.uni-heidelberg.de [Institute for Theoretical Physics, Heidelberg University, 69120 Heidelberg (Germany); BioQuant, Heidelberg University, 69120 Heidelberg (Germany)
2014-05-14
Assembly of protein complexes like virus shells, the centriole, the nuclear pore complex, or the actin cytoskeleton is strongly determined by their spatial structure. Moreover, it is becoming increasingly clear that the reversible nature of protein assembly is also an essential element for their biological function. Here we introduce a computational approach for the Brownian dynamics of patchy particles with anisotropic assemblies and fully reversible reactions. Different particles stochastically associate and dissociate with microscopic reaction rates depending on their relative spatial positions. The translational and rotational diffusive properties of all protein complexes are evaluated on-the-fly. Because we focus on reversible assembly, we introduce a scheme which ensures detailed balance for patchy particles. We then show how the macroscopic rates follow from the microscopic ones. As an instructive example, we study the assembly of a pentameric ring structure, for which we find excellent agreement between simulation results and a macroscopic kinetic description without any adjustable parameters. This demonstrates that our approach correctly accounts for both the diffusive and reactive processes involved in protein assembly.
Macroscale particle simulation of externally driven magnetic reconnection
International Nuclear Information System (INIS)
Murakami, Sadayoshi; Sato, Tetsuya.
1991-09-01
Externally driven reconnection, assuming an anomalous particle collision model, is numerically studied by means of a 2.5D macroscale particle simulation code in which the field and particle motions are solved self-consistently. Explosive magnetic reconnection and energy conversion are observed as a result of slow shock formation. Electron and ion distribution functions exhibit large bulk acceleration and heating of the plasma. Simulation runs with different collision parameters suggest that the development of reconnection, particle acceleration and heating do not significantly depend on the parameters of the collision model. (author)
Molecular dynamics simulation of a phospholipid membrane
Egberts, Egbert; Marrink, Siewert-Jan; Berendsen, Herman J.C.
We present the results of molecular dynamics (MD) simulations of a phospholipid membrane in water, including full atomic detail. The goal of the simulations was twofold: first we wanted to set up a simulation system which is able to reproduce experimental results and can serve as a model membrane in
Computational Fluid-Particle Dynamics for the Flame Synthesis of Alumina Particles
DEFF Research Database (Denmark)
Johannessen, Tue; Pratsinis, Sotirie E.; Livbjerg, Hans
2000-01-01
A mathematical model for the dynamics of particle growth during synthesis of ultra fine particles in diffusion flames is presented. The model includes the kinetics of particle coalescence and coagulation, and when combined with a calculation of the temperature, velocity and gas composition distri...
Dynamic Hybrid Simulation of the Lunar Wake During ARTEMIS Crossing
Wiehle, S.; Plaschke, F.; Angelopoulos, V.; Auster, H.; Glassmeier, K.; Kriegel, H.; Motschmann, U. M.; Mueller, J.
2010-12-01
The interaction of the highly dynamic solar wind with the Moon is simulated with the A.I.K.E.F. (Adaptive Ion Kinetic Electron Fluid) code for the ARTEMIS P1 flyby on February 13, 2010. The A.I.K.E.F. hybrid plasma simulation code is the improved version of the Braunschweig code. It is able to automatically increase simulation grid resolution in areas of interest during runtime, which greatly increases resolution as well as performance. As the Moon has no intrinsic magnetic field and no ionosphere, the solar wind particles are absorbed at its surface, resulting in the formation of the lunar wake at the nightside. The solar wind magnetic field is basically convected through the Moon and the wake is slowly filled up with solar wind particles. However, this interaction is strongly influenced by the highly dynamic solar wind during the flyby. This is considered by a dynamic variation of the upstream conditions in the simulation using OMNI solar wind measurement data. By this method, a very good agreement between simulation and observations is achieved. The simulations show that the stationary structure of the lunar wake constitutes a tableau vivant in space representing the well-known Friedrichs diagram for MHD waves.
ReaDDy--a software for particle-based reaction-diffusion dynamics in crowded cellular environments.
Directory of Open Access Journals (Sweden)
Johannes Schöneberg
Full Text Available We introduce the software package ReaDDy for simulation of detailed spatiotemporal mechanisms of dynamical processes in the cell, based on reaction-diffusion dynamics with particle resolution. In contrast to other particle-based reaction kinetics programs, ReaDDy supports particle interaction potentials. This permits effects such as space exclusion, molecular crowding and aggregation to be modeled. The biomolecules simulated can be represented as a sphere, or as a more complex geometry such as a domain structure or polymer chain. ReaDDy bridges the gap between small-scale but highly detailed molecular dynamics or Brownian dynamics simulations and large-scale but little-detailed reaction kinetics simulations. ReaDDy has a modular design that enables the exchange of the computing core by efficient platform-specific implementations or dynamical models that are different from Brownian dynamics.
Cuetos, Alejandro; Patti, Alessandro
2015-08-01
We propose a simple but powerful theoretical framework to quantitatively compare Brownian dynamics (BD) and dynamic Monte Carlo (DMC) simulations of multicomponent colloidal suspensions. By extending our previous study focusing on monodisperse systems of rodlike colloids, here we generalize the formalism described there to multicomponent colloidal mixtures and validate it by investigating the dynamics in isotropic and liquid crystalline phases containing spherical and rodlike particles. In order to investigate the dynamics of multicomponent colloidal systems by DMC simulations, it is key to determine the elementary time step of each species and establish a unique timescale. This is crucial to consistently study the dynamics of colloidal particles with different geometry. By analyzing the mean-square displacement, the orientation autocorrelation functions, and the self part of the van Hove correlation functions, we show that DMC simulation is a very convenient and reliable technique to describe the stochastic dynamics of any multicomponent colloidal system. Our theoretical formalism can be easily extended to any colloidal system containing size and/or shape polydisperse particles.
Particle ''swarm'' dynamics in triboelectric systems
International Nuclear Information System (INIS)
Vinay, Stephen J.; Jhon, Myung S.
2001-01-01
Using state-of-the-art flow/particle visualization and animation techniques, the time-dependent statistical distributions of charged-particle ''swarms'' exposed to external fields (both electrostatic and flow) are examined. We found that interparticle interaction and drag forces mainly influenced swarm dispersion in a Lagrangian reference frame, whereas the average particle trajectory was affected primarily by the external electric and flow fields
Particle Simulation of Pulsed Plasma Thruster Plumes
National Research Council Canada - National Science Library
Boyd, Ian
2002-01-01
.... Our modeling had made progress in al aspects of simulating these complex devices including Teflon ablation, plasma formation, electro-magnetic acceleration, plume expansion, and particulate transport...
Nonlinear δf Simulation Studies of Intense Charged Particle Beams with Large Temperature Anisotropy
International Nuclear Information System (INIS)
Startsev, Edward A.; Davidson, Ronald C.; Qin, Hong
2002-01-01
In this paper, a 3-D nonlinear perturbative particle simulation code (BEST) [H. Qin, R.C. Davidson and W.W. Lee, Physical Review Special Topics on Accelerators and Beams 3 (2000) 084401] is used to systematically study the stability properties of intense nonneutral charged particle beams with large temperature anisotropy (T perpendicularb >> T parallelb ). The most unstable modes are identified, and their eigenfrequencies, radial mode structure, and nonlinear dynamics are determined for axisymmetric perturbations with ∂/∂θ = 0
Dynamics and segregation of particles in a cyclone
International Nuclear Information System (INIS)
Mothes, H.
1982-01-01
In cyclone separator systems, the separation efficiency increases with increasing dust concentration, although the centripetal force, which is responsible for particle separation in a vortex, decreases with increasing particle concentration. This is demonstrated by laser-doppler-velocity-measurements. The measurements of separation efficiency together with the determination of particle size using stray radiation show that the effect of particle agglomeration is of major importance in the case of higher particle concentrations. Also smaller particles can be separated from the gas by agglomeration to larger particles, which can easily be separated. The calculations show that the improved separation at higher concentrations can be explained by this particle agglomeration effect. Finally different cyclone design models are discussed on the basis of the experimental results and the theoretical considerations on the particle dynamics in a cyclone. (orig./DG) [de
Studies of Fundamental Particle Dynamics in Microgravity
Rangel, Roger; Trolinger, James D.; Coimbra, Carlos F. M.; Witherow, William; Rogers, Jan; Rose, M. Franklin (Technical Monitor)
2001-01-01
This work summarizes theoretical and experimental concepts used to design the flight experiment mission for SHIVA - Spaceflight Holography Investigation in a Virtual Apparatus. SHIVA is a NASA project that exploits a unique, holography-based, diagnostics tool to understand the behavior of small particles subjected to transient accelerations. The flight experiments are designed for testing model equations, measuring g, g-jitter, and other microgravity phenomena. Data collection will also include experiments lying outside of the realm of existing theory. The regime under scrutiny is the low Reynolds number, Stokes regime or creeping flow, which covers particles and bubbles moving at very low velocity. The equations describing this important regime have been under development and investigation for over 100 years and yet a complete analytical solution of the general equation had remained elusive yielding only approximations and numerical solutions. In the course of the ongoing NASA NRA, the first analytical solution of the general equation was produced by members of the investigator team using the mathematics of fractional derivatives. This opened the way to an even more insightful and important investigation of the phenomena in microgravity. Recent results include interacting particles, particle-wall interactions, bubbles, and Reynolds numbers larger than unity. The Space Station provides an ideal environment for SHIVA. Limited ground experiments have already confirmed some aspects of the theory. In general the space environment is required for the overall experiment, especially for cases containing very heavy particles, very light particles, bubbles, collections of particles and for characterization of the space environment and its effect on particle experiments. Lightweight particles and bubbles typically rise too fast in a gravitational field and heavy particles sink too fast. In a microgravity environment, heavy and light particles can be studied side-by-side for
Constrained dynamics of an inertial particle in a turbulent flow
International Nuclear Information System (INIS)
Obligado, M; Baudet, C; Gagne, Y; Bourgoin, M
2011-01-01
Most of theoretical and numerical works for free advected particles in a turbulent flow, which only consider the drag force acting on the particles, fails to predict recent experimental results for the transport of finite size particles. These questions have motivated a series of experiments trying to emphasize the actual role of the drag force by imposing this one as an unambiguous leading forcing term acting on a particle in a turbulent background. This is achieved by considering the constrained dynamics of towed particles in a turbulent environment. In the present work, we focus on the influence of particles inertia on its velocity and acceleration Lagrangian statistics and energy spectral density. Our results are consistent with a filtering scenario resulting from the viscous response time of an inertial particle whose dynamics is coupled to the surrounding fluid via strong contribution of drag.
Fluctuations of the single-particle density in nuclear dynamics
International Nuclear Information System (INIS)
Burgio, G.F.; Chomaz, P.; Randrup, J.
1991-01-01
In recent years semiclassical methods have been developed to study heavy-ion collisions in the framework of the Boltzmann-Uehling-Uhlenbeck theory, in which the collisionless mean field evolution has been augmented by a Pauli-blocked Nordheim collision term. Since these models describe the average dynamic trajectory, they cannot be applied to describe fluctuations of one-body observables, correlations in the emission of light particles and catastrophic processes like multifragmentation. The authors have developed a new method in order to include the stochastic part of the collision integral into BUU-type simulations of the nuclear dynamics. They apply this method to a two-dimensional gas of fermions on a torus, for which the time evolution of the mean trajectory and the associated correlation function are calculated; the variance of the phase-space occupancy follows closely the predictions of the corresponding Fokker-Planck equation and relaxes towards the appropriate quantum-statistical limit. The breaking of the translational and spherical symmetry in the model permits the study of unstable situations in phase-space. The introduction of the nonlinear one-body field allows them to explore dynamical instabilities and bifurcations. Therefore the model can be appropriate for studying nuclear multifragmentation
Dynamic simulation of hydrogen isotope distillation unit
International Nuclear Information System (INIS)
Le Lann, J.M.; Latge, C.; Joulia, X.; Sere-Peyrigain, P.
1995-01-01
Dynamic simulation of hydrogen isotope distillation unit involved in the complex environment of a fusion power plant can be a powerful technique in view to analyze the tritium hazard potential. In this paper, issues related to the development of such a dynamic simulator with model formulation and the numerical treatment of the resulting Differential-Algebraic equation (DAE) system are properly adressed. The typical dynamic characteristics of such columns are quantitatively and qualitatively enlighted on case study with very large disturbances. The developed system has proven to be beneficial for understanding the dynamic behaviour and further for developing control schemes. (orig.)
Dynamic simulation of hydrogen isotope distillation unit
International Nuclear Information System (INIS)
Le Lann, J.M.; Joulia, X.; Sere-Peyrigain, P.
1994-01-01
Dynamic simulation of hydrogen isotope distillation unit involved in the complex environment of a fusion power plant can be a powerful technique in view to analyze the tritium hazard potential. Issues related to the development of such a dynamic simulator with model formulation and the numerical treatment of the resulting Differential-Algebraic equation (DAE) system are properly addressed. The typical dynamic characteristics of such columns are quantitatively and qualitatively enlightened on case study with very large disturbances. The developed system has proven to be beneficial for understanding the dynamic behaviour and further for developing control schemes. (author) 12 refs.; 4 figs
Power functional theory for the dynamic test particle limit
International Nuclear Information System (INIS)
Brader, Joseph M; Schmidt, Matthias
2015-01-01
For classical Brownian systems both in and out of equilibrium we extend the power functional formalism of Schmidt and Brader (2013 J. Chem. Phys. 138 214101) to mixtures of different types of particles. We apply the framework to develop an exact dynamical test particle theory for the self and distinct parts of the van Hove function, which characterize tagged and collective particle motion. The memory functions that induce non-Markovian dynamics are related to functional derivatives of the excess (over ideal) free power dissipation functional. The method offers an alternative to the recently found nonequilibrium Ornstein–Zernike relation for dynamic pair correlation functions. (paper)
Ef: Software for Nonrelativistic Beam Simulation by Particle-in-Cell Algorithm
Directory of Open Access Journals (Sweden)
Boytsov A. Yu.
2018-01-01
Full Text Available Understanding of particle dynamics is crucial in construction of electron guns, ion sources and other types of nonrelativistic beam devices. Apart from external guiding and focusing systems, a prominent role in evolution of such low-energy beams is played by particle-particle interaction. Numerical simulations taking into account these effects are typically accomplished by a well-known particle-in-cell method. In practice, for convenient work a simulation program should not only implement this method, but also support parallelization, provide integration with CAD systems and allow access to details of the simulation algorithm. To address the formulated requirements, development of a new open source code - Ef - has been started. It's current features and main functionality are presented. Comparison with several analytical models demonstrates good agreement between the numerical results and the theory. Further development plans are discussed.
Ef: Software for Nonrelativistic Beam Simulation by Particle-in-Cell Algorithm
Boytsov, A. Yu.; Bulychev, A. A.
2018-04-01
Understanding of particle dynamics is crucial in construction of electron guns, ion sources and other types of nonrelativistic beam devices. Apart from external guiding and focusing systems, a prominent role in evolution of such low-energy beams is played by particle-particle interaction. Numerical simulations taking into account these effects are typically accomplished by a well-known particle-in-cell method. In practice, for convenient work a simulation program should not only implement this method, but also support parallelization, provide integration with CAD systems and allow access to details of the simulation algorithm. To address the formulated requirements, development of a new open source code - Ef - has been started. It's current features and main functionality are presented. Comparison with several analytical models demonstrates good agreement between the numerical results and the theory. Further development plans are discussed.
A mixed finite element method for particle simulation in lasertron
International Nuclear Information System (INIS)
Le Meur, G.
1987-03-01
A particle simulation code is being developed with the aim to treat the motion of charged particles in electromagnetic devices, such as Lasertron. The paper describes the use of mixed finite element methods in computing the field components, without derivating them from scalar or vector potentials. Graphical results are shown
A mixed finite element method for particle simulation in Lasertron
International Nuclear Information System (INIS)
Le Meur, G.
1987-01-01
A particle simulation code is being developed with the aim to treat the motion of charged particles in electromagnetic devices, such as Lasertron. The paper describes the use of mixed finite element methods in computing the field components, without derivating them from scalar or vector potentials. Graphical results are shown
A direct simulation method for flows with suspended paramagnetic particles
Kang, T.G.; Hulsen, M.A.; Toonder, den J.M.J.; Anderson, P.D.; Meijer, H.E.H.
2008-01-01
A direct numerical simulation method based on the Maxwell stress tensor and a fictitious domain method has been developed to solve flows with suspended paramagnetic particles. The numerical scheme enables us to take into account both hydrodynamic and magnetic interactions between particles in a
Artificial biomembrane morphology: a dissipative particle dynamics study.
Becton, Matthew; Averett, Rodney; Wang, Xianqiao
2017-09-18
Artificial membranes mimicking biological structures are rapidly breaking new ground in the areas of medicine and soft-matter physics. In this endeavor, we use dissipative particle dynamics simulation to investigate the morphology and behavior of lipid-based biomembranes under conditions of varied lipid density and self-interaction. Our results show that a less-than-normal initial lipid density does not create the traditional membrane; but instead results in the formation of a 'net', or at very low densities, a series of disparate 'clumps' similar to the micelles formed by lipids in nature. When the initial lipid density is high, a membrane forms, but due to the large number of lipids, the naturally formed membrane would be larger than the simulation box, leading to 'rippling' behavior as the excess repulsive force of the membrane interior overcomes the bending energy of the membrane. Once the density reaches a certain point however, 'bubbles' appear inside the membrane, reducing the rippling behavior and eventually generating a relatively flat, but thick, structure with micelles of water inside the membrane itself. Our simulations also demonstrate that the interaction parameter between individual lipids plays a significant role in the formation and behavior of lipid membrane assemblies, creating similar structures as the initial lipid density distribution. This work provides a comprehensive approach to the intricacies of lipid membranes, and offers a guideline to design biological or polymeric membranes through self-assembly processes as well as develop novel cellular manipulation and destruction techniques.
Particle tracking code of simulating global RF feedback
International Nuclear Information System (INIS)
Mestha, L.K.
1991-09-01
It is well known in the ''control community'' that a good feedback controller design is deeply rooted in the physics of the system. For example, when accelerating the beam we must keep several parameters under control so that the beam travels within the confined space. Important parameters include the frequency and phase of the rf signal, the dipole field, and the cavity voltage. Because errors in these parameters will progressively mislead the beam from its projected path in the tube, feedback loops are used to correct the behavior. Since the feedback loop feeds energy to the system, it changes the overall behavior of the system and may drive it to instability. Various types of controllers are used to stabilize the feedback loop. Integrating the beam physics with the feedback controllers allows us to carefully analyze the beam behavior. This will not only guarantee optimal performance but will also significantly enhance the ability of the beam control engineer to deal effectively with the interaction of various feedback loops. Motivated by this theme, we developed a simple one-particle tracking code to simulate particle behavior with feedback controllers. In order to achieve our fundamental objective, we can ask some key questions: What are the input and output parameters? How can they be applied to the practical machine? How can one interface the rf system dynamics such as the transfer characteristics of the rf cavities and phasing between the cavities? Answers to these questions can be found by considering a simple case of a single cavity with one particle, tracking it turn-by-turn with appropriate initial conditions, then introducing constraints on crucial parameters. Critical parameters are rf frequency, phase, and amplitude once the dipole field has been given. These are arranged in the tracking code so that we can interface the feedback system controlling them
Radiological dispersal device outdoor simulation test: Cesium chloride particle characteristics
Energy Technology Data Exchange (ETDEWEB)
Lee, Sang Don, E-mail: lee.sangdon@epa.gov [U.S. Environmental Protection Agency, Research Triangle Park, NC 27711 (United States); Snyder, Emily G.; Willis, Robert [U.S. Environmental Protection Agency, Research Triangle Park, NC 27711 (United States); Fischer, Robert; Gates-Anderson, Dianne; Sutton, Mark [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Viani, Brian [Simbol Mining Corp., Pleasanton, CA 94566 (United States); Drake, John [U.S. Environmental Protection Agency, Cincinnati, OH 45268 (United States); MacKinney, John [U.S. Department of Homeland Security, Washington, DC 20528 (United States)
2010-04-15
Particles were generated from the detonation of simulated radiological dispersal devices (RDDs) using non-radioactive CsCl powder and explosive C4. The physical and chemical properties of the resulting particles were characterized. Two RDD simulation tests were conducted at Lawrence Livermore National Laboratory: one of the simulated RDDs was positioned 1 m above a steel plate and the other was partially buried in soil. Particles were collected with filters at a distance of 150 m from the origin of the RDD device, and particle mass concentrations were monitored to identify the particle plume intensity using real time particle samplers. Particles collected on filters were analyzed via computer-controlled scanning electron microscopy coupled with energy dispersive X-ray spectrometry (CCSEM/EDX) to determine their size distribution, morphology, and chemical constituents. This analysis showed that particles generated by the detonation of explosives can be associated with other materials (e.g., soil) that are in close proximity to the RDD device and that the morphology and chemical makeup of the particles change depending on the interactions of the RDD device with the surrounding materials.
Radiological dispersal device outdoor simulation test: Cesium chloride particle characteristics
International Nuclear Information System (INIS)
Lee, Sang Don; Snyder, Emily G.; Willis, Robert; Fischer, Robert; Gates-Anderson, Dianne; Sutton, Mark; Viani, Brian; Drake, John; MacKinney, John
2010-01-01
Particles were generated from the detonation of simulated radiological dispersal devices (RDDs) using non-radioactive CsCl powder and explosive C4. The physical and chemical properties of the resulting particles were characterized. Two RDD simulation tests were conducted at Lawrence Livermore National Laboratory: one of the simulated RDDs was positioned 1 m above a steel plate and the other was partially buried in soil. Particles were collected with filters at a distance of 150 m from the origin of the RDD device, and particle mass concentrations were monitored to identify the particle plume intensity using real time particle samplers. Particles collected on filters were analyzed via computer-controlled scanning electron microscopy coupled with energy dispersive X-ray spectrometry (CCSEM/EDX) to determine their size distribution, morphology, and chemical constituents. This analysis showed that particles generated by the detonation of explosives can be associated with other materials (e.g., soil) that are in close proximity to the RDD device and that the morphology and chemical makeup of the particles change depending on the interactions of the RDD device with the surrounding materials.
Improvements on nonlinear gyrokinetic particle simulations based on δf-discretization scheme
International Nuclear Information System (INIS)
Zorat, R.; Tessarotto, M.
1998-01-01
In this work various issues regarding the definition of improved theoretical models appropriate to describe the dynamics of confined magnetoplasmas by particle simulation methods are proposed. These concern in particular an improved non linear δf discretization scheme and the treatment of binary, i.e. Coulomb, and collective interactions. (orig.)
Simulating Magnetized Laboratory Plasmas with Smoothed Particle Hydrodynamics
Energy Technology Data Exchange (ETDEWEB)
Johnson, Jeffrey N. [Univ. of California, Davis, CA (United States)
2009-01-01
The creation of plasmas in the laboratory continues to generate excitement in the physics community. Despite the best efforts of the intrepid plasma diagnostics community, the dynamics of these plasmas remains a difficult challenge to both the theorist and the experimentalist. This dissertation describes the simulation of strongly magnetized laboratory plasmas with Smoothed Particle Hydrodynamics (SPH), a method born of astrophysics but gaining broad support in the engineering community. We describe the mathematical formulation that best characterizes a strongly magnetized plasma under our circumstances of interest, and we review the SPH method and its application to astrophysical plasmas based on research by Phillips [1], Buerve [2], and Price and Monaghan [3]. Some modifications and extensions to this method are necessary to simulate terrestrial plasmas, such as a treatment of magnetic diffusion based on work by Brookshaw [4] and by Atluri [5]; we describe these changes as we turn our attention toward laboratory experiments. Test problems that verify the method are provided throughout the discussion. Finally, we apply our method to the compression of a magnetized plasma performed by the Compact Toroid Injection eXperiment (CTIX) [6] and show that the experimental results support our computed predictions.
Ensemble simulations with discrete classical dynamics
DEFF Research Database (Denmark)
Toxværd, Søren
2013-01-01
For discrete classical Molecular dynamics (MD) obtained by the "Verlet" algorithm (VA) with the time increment $h$ there exist a shadow Hamiltonian $\\tilde{H}$ with energy $\\tilde{E}(h)$, for which the discrete particle positions lie on the analytic trajectories for $\\tilde{H}$. $\\tilde......{E}(h)$ is employed to determine the relation with the corresponding energy, $E$ for the analytic dynamics with $h=0$ and the zero-order estimate $E_0(h)$ of the energy for discrete dynamics, appearing in the literature for MD with VA. We derive a corresponding time reversible VA algorithm for canonical dynamics...
Coding considerations for standalone molecular dynamics simulations of atomistic structures
Ocaya, R. O.; Terblans, J. J.
2017-10-01
The laws of Newtonian mechanics allow ab-initio molecular dynamics to model and simulate particle trajectories in material science by defining a differentiable potential function. This paper discusses some considerations for the coding of ab-initio programs for simulation on a standalone computer and illustrates the approach by C language codes in the context of embedded metallic atoms in the face-centred cubic structure. The algorithms use velocity-time integration to determine particle parameter evolution for up to several thousands of particles in a thermodynamical ensemble. Such functions are reusable and can be placed in a redistributable header library file. While there are both commercial and free packages available, their heuristic nature prevents dissection. In addition, developing own codes has the obvious advantage of teaching techniques applicable to new problems.
A 3-D model of tumor progression based on complex automata driven by particle dynamics.
Wcisło, Rafał; Dzwinel, Witold; Yuen, David A; Dudek, Arkadiusz Z
2009-12-01
The dynamics of a growing tumor involving mechanical remodeling of healthy tissue and vasculature is neglected in most of the existing tumor models. This is due to the lack of efficient computational framework allowing for simulation of mechanical interactions. Meanwhile, just these interactions trigger critical changes in tumor growth dynamics and are responsible for its volumetric and directional progression. We describe here a novel 3-D model of tumor growth, which combines particle dynamics with cellular automata concept. The particles represent both tissue cells and fragments of the vascular network. They interact with their closest neighbors via semi-harmonic central forces simulating mechanical resistance of the cell walls. The particle dynamics is governed by both the Newtonian laws of motion and the cellular automata rules. These rules can represent cell life-cycle and other biological interactions involving smaller spatio-temporal scales. We show that our complex automata, particle based model can reproduce realistic 3-D dynamics of the entire system consisting of the tumor, normal tissue cells, blood vessels and blood flow. It can explain phenomena such as the inward cell motion in avascular tumor, stabilization of tumor growth by the external pressure, tumor vascularization due to the process of angiogenesis, trapping of healthy cells by invading tumor, and influence of external (boundary) conditions on the direction of tumor progression. We conclude that the particle model can serve as a general framework for designing advanced multiscale models of tumor dynamics and it is very competitive to the modeling approaches presented before.
Extended particle-based simulation for magnetic-aligned compaction of hard magnetic particles
Energy Technology Data Exchange (ETDEWEB)
Soda, Rikio; Takagi, Kenta; Ozaki, Kimihiro, E-mail: r-soda@aist.go.jp
2015-12-15
In order to understand the magnetic-aligned compaction process, we develop a three-dimensional (3D) discrete element method for simulating the motion of hard magnetic particles subjected to strong compression and magnetic fields. The proposed simulation model also considers the exact magnetic force involved via the calculation of the magnetic moment. First, to validate the simulation model, single-action compaction in the absence of a magnetic field was calculated. The calculated compaction curves are in good quantitative agreement with experimental ones. Based on this simulation model, the alignment behavior of Nd–Fe–B particles during compression under the application of a static magnetic field. The developed simulation model enables the visualization of particle behavior including the misorientation of the magnetization easy axis, which provided the quantitative relationships between applied pressure and particle misorientation. - Highlights: • A practical 3D DEM simulation technique for magnetic-aligned compaction was developed. • An extended simulation model was introduced for hard magnetic particles. • Magnetic-aligned compaction was simulated using the developed simulation model.
molecular dynamics simulations and quantum chemical calculations
African Journals Online (AJOL)
ABSTRACT. The molecular dynamic (MD) simulation and quantum chemical calculations for the adsorption of [2-(2-Henicos-10- .... electronic properties of molecule clusters, surfaces and ... The local reactivity was analyzed by determining the.
Induction generator models in dynamic simulation tools
DEFF Research Database (Denmark)
Knudsen, Hans; Akhmatov, Vladislav
1999-01-01
For AC network with large amount of induction generators (windmills) the paper demonstrates a significant discrepancy in the simulated voltage recovery after fault in weak networks when comparing dynamic and transient stability descriptions and the reasons of discrepancies are explained...
Directory of Open Access Journals (Sweden)
Sergey PLOTNIKOV
2014-09-01
Full Text Available The simulation from the motion of flat particle revealed that the fall depends on the height of the drop, the thickness and density of the particles and does not depend on its length and width. The drop in air is about 20% longer than in vacuum. During orientation from angular particles the velocity of rotating particles with a length of 150mm is reduced by 18%, for particles with a length of 75mm by 12%. This reduction increases linearly with decreasing density of particles. A velocity field acting on the particle in the fall and rotation was presented. The results of the study prove the possibility to reduce the scatter of the particles during the mat's formation, that in turns can increase the board’s bending strength.
Solhjoo, Soheil; Vakis, Antonis I.
Abstract Using classical molecular dynamics, atomic scale simulations of normal contact between a nominally flat substrate and different atomistic and non-atomistic spherical particles were performed to investigate the applicability of classical contact theories at the nanoscale, and further
Direct Numerical Simulations of Particle-Laden Turbulent Channel Flow
Jebakumar, Anand Samuel; Premnath, Kannan; Abraham, John
2017-11-01
In a recent experimental study, Lau and Nathan (2014) reported that the distribution of particles in a turbulent pipe flow is strongly influenced by the Stokes number (St). At St lower than 1, particles migrate toward the wall and at St greater than 10 they tend to migrate toward the axis. It was suggested that this preferential migration of particles is due to two forces, the Saffman lift force and the turbophoretic force. Saffman lift force represents a force acting on the particle as a result of a velocity gradient across the particle when it leads or lags the fluid flow. Turbophoretic force is induced by turbulence which tends to move the particle in the direction of decreasing turbulent kinetic energy. In this study, the Lattice Boltzmann Method (LBM) is employed to simulate a particle-laden turbulent channel flow through Direct Numerical Simulations (DNS). We find that the preferential migration is a function of particle size in addition to the St. We explain the effect of the particle size and St on the Saffman lift force and turbophoresis and present how this affects particle concentration at different conditions.
Design of Experiment Using Simulation of a Discrete Dynamical System
Directory of Open Access Journals (Sweden)
Mašek Jan
2016-12-01
Full Text Available The topic of the presented paper is a promising approach to achieve optimal Design of Experiment (DoE, i.e. spreading of points within a design domain, using a simulation of a discrete dynamical system of interacting particles within an n-dimensional design space. The system of mutually repelling particles represents a physical analogy of the Audze-Eglājs (AE optimization criterion and its periodical modification (PAE, respectively. The paper compares the performance of two approaches to implementation: a single-thread process using the JAVA language environment and a massively parallel solution employing the nVidia CUDA platform.
A simplectic formulation of relativistic particle dynamics
International Nuclear Information System (INIS)
Tulczyjew, W.M.
1976-12-01
Particle mechanics is formulated in terms of symplectic relations and infinitesimal symplectic relations. Generating functions of symplectic relations are shown to be classical counterparts of Green's functions of wave mechanics. (orig.) [de
A sympletic formulation of relativistic particle dynamics
International Nuclear Information System (INIS)
Tulczyjew, W.M.
1977-01-01
Particle mechanics is formulated in terms of sympletic relations and infinitesimal symplectic relations. Generating functions of symplectic relations are shown to be classical counterparts of Green's functions of wave mechanics. (author)
DYNAMIC PARTICLE SYSTEMS FOR OBJECT STRUCTURE EXTRACTION
Directory of Open Access Journals (Sweden)
Olivier Lavialle
2011-05-01
Full Text Available A new deformable model based on the use of a particle system is introduced. By defining the local behavior of each particle, the system behaves as an active contour model showing a variable topology and regularization properties. The efficiency of the particle system is illustrated by two applications: the first one concerns the use of the system as a skeleton extractor based on the propagation of particles inside a treeshaped object. Using this method, it is possible to generate a cartography of structures such as veins or channels. In a second illustration, the system avoids the problem of initialization of a piecewise cubic Bspline network used to straighten curved text lines.
A simple dynamic subgrid-scale model for LES of particle-laden turbulence
Park, George Ilhwan; Bassenne, Maxime; Urzay, Javier; Moin, Parviz
2017-04-01
In this study, a dynamic model for large-eddy simulations is proposed in order to describe the motion of small inertial particles in turbulent flows. The model is simple, involves no significant computational overhead, contains no adjustable parameters, and is flexible enough to be deployed in any type of flow solvers and grids, including unstructured setups. The approach is based on the use of elliptic differential filters to model the subgrid-scale velocity. The only model parameter, which is related to the nominal filter width, is determined dynamically by imposing consistency constraints on the estimated subgrid energetics. The performance of the model is tested in large-eddy simulations of homogeneous-isotropic turbulence laden with particles, where improved agreement with direct numerical simulation results is observed in the dispersed-phase statistics, including particle acceleration, local carrier-phase velocity, and preferential-concentration metrics.
Dynamic behavior of a solid particle bed in a liquid pool
International Nuclear Information System (INIS)
Liu Ping; Yasunaka, Satoshi; Matsumoto, Tatsuya; Morita, Koji; Fukuda, Kenji; Yamano, Hidemasa; Tobita, Yoshiharu
2007-01-01
Dynamic behavior of solid particle beds in a liquid pool against pressure transients was investigated to model the mobility of core materials in a postulated disrupted core of a liquid metal fast reactor. A series of experiments was performed with a particle bed of different bed heights, comprising different monotype solid particles, where variable initial pressures of the originally pressurized nitrogen gas were adopted as the pressure sources. Computational simulations of the experiments were performed using SIMMER-III, a fast reactor safety analysis code. Comparisons between simulated and experimental results show that the physical model for multiphase flows used in the SIMMER-III code can reasonably represent the transient behaviors of pool multiphase flows with rich solid phases, as observed in the current experiments. This demonstrates the basic validity of the SIMMER-III code on simulating the dynamic behaviors induced by pressure transients in a low-energy disrupted core of a liquid metal fast reactor with rich solid phases
Bittig, Arne T; Uhrmacher, Adelinde M
2017-01-01
Spatio-temporal dynamics of cellular processes can be simulated at different levels of detail, from (deterministic) partial differential equations via the spatial Stochastic Simulation algorithm to tracking Brownian trajectories of individual particles. We present a spatial simulation approach for multi-level rule-based models, which includes dynamically hierarchically nested cellular compartments and entities. Our approach ML-Space combines discrete compartmental dynamics, stochastic spatial approaches in discrete space, and particles moving in continuous space. The rule-based specification language of ML-Space supports concise and compact descriptions of models and to adapt the spatial resolution of models easily.
Poisson solvers for self-consistent multi-particle simulations
International Nuclear Information System (INIS)
Qiang, J; Paret, S
2014-01-01
Self-consistent multi-particle simulation plays an important role in studying beam-beam effects and space charge effects in high-intensity beams. The Poisson equation has to be solved at each time-step based on the particle density distribution in the multi-particle simulation. In this paper, we review a number of numerical methods that can be used to solve the Poisson equation efficiently. The computational complexity of those numerical methods will be O(N log(N)) or O(N) instead of O(N2), where N is the total number of grid points used to solve the Poisson equation
Single Particle Linear and Nonlinear Dynamics
Energy Technology Data Exchange (ETDEWEB)
Cai, Y
2004-06-25
I will give a comprehensive review of existing particle tracking tools to assess long-term particle stability for small and large accelerators in the presence of realistic magnetic imperfections and machine misalignments. The emphasis will be on the tracking and analysis tools based upon the differential algebra, Lie operator, and ''polymorphism''. Using these tools, a uniform linear and non-linear analysis will be outlined as an application of the normal form.
Single Particle Linear and Nonlinear Dynamics
International Nuclear Information System (INIS)
Cai, Y
2004-01-01
I will give a comprehensive review of existing particle tracking tools to assess long-term particle stability for small and large accelerators in the presence of realistic magnetic imperfections and machine misalignments. The emphasis will be on the tracking and analysis tools based upon the differential algebra, Lie operator, and ''polymorphism''. Using these tools, a uniform linear and non-linear analysis will be outlined as an application of the normal form
Classical particle dynamics in the quantum space
International Nuclear Information System (INIS)
Dineykhan, M.; Namsrai, Kh.
1985-01-01
It is suggested that if space-time is quantized at small distances then even at the classical level the particle motion in whole space is complicated and described by a nonlinear equation. In the quantum space the Lagrangian function or energy of the particle consists of two parts: usual kinetic and rotation term determined by the square of the inner angular momentum-torsion torque origin of which is caused by quantum nature of space. Rotation energy and rotation motion of the particle disappear in the limit l→0, l is the value of the fundamental length. In the free particle case, in addition to the rectilinear motion the particle undergoes rotation given by the inner angular momentum. Different possible types of the particle motion are discussed. Thus, the scheme may shed light on the essence of the appearance of rotation or twisting, stochastic and turbulent types of motion in classical physics and, perhaps, on the notion of spin in quantum physics within the framework of quantum character of space-time at small distances
Zhang, Ruili; Wang, Yulei; He, Yang; Xiao, Jianyuan; Liu, Jian; Qin, Hong; Tang, Yifa
2018-02-01
Relativistic dynamics of a charged particle in time-dependent electromagnetic fields has theoretical significance and a wide range of applications. The numerical simulation of relativistic dynamics is often multi-scale and requires accurate long-term numerical simulations. Therefore, explicit symplectic algorithms are much more preferable than non-symplectic methods and implicit symplectic algorithms. In this paper, we employ the proper time and express the Hamiltonian as the sum of exactly solvable terms and product-separable terms in space-time coordinates. Then, we give the explicit symplectic algorithms based on the generating functions of orders 2 and 3 for relativistic dynamics of a charged particle. The methodology is not new, which has been applied to non-relativistic dynamics of charged particles, but the algorithm for relativistic dynamics has much significance in practical simulations, such as the secular simulation of runaway electrons in tokamaks.
A dynamic global and local combined particle swarm optimization algorithm
International Nuclear Information System (INIS)
Jiao Bin; Lian Zhigang; Chen Qunxian
2009-01-01
Particle swarm optimization (PSO) algorithm has been developing rapidly and many results have been reported. PSO algorithm has shown some important advantages by providing high speed of convergence in specific problems, but it has a tendency to get stuck in a near optimal solution and one may find it difficult to improve solution accuracy by fine tuning. This paper presents a dynamic global and local combined particle swarm optimization (DGLCPSO) algorithm to improve the performance of original PSO, in which all particles dynamically share the best information of the local particle, global particle and group particles. It is tested with a set of eight benchmark functions with different dimensions and compared with original PSO. Experimental results indicate that the DGLCPSO algorithm improves the search performance on the benchmark functions significantly, and shows the effectiveness of the algorithm to solve optimization problems.
Abdullaev, Sadrilla
2014-01-01
This is the first book to systematically consider the modern aspects of chaotic dynamics of magnetic field lines and charged particles in magnetically confined fusion plasmas. The analytical models describing the generic features of equilibrium magnetic fields and magnetic perturbations in modern fusion devices are presented. It describes mathematical and physical aspects of onset of chaos, generic properties of the structure of stochastic magnetic fields, transport of charged particles in tokamaks induced by magnetic perturbations, new aspects of particle turbulent transport, etc. The presentation is based on the classical and new unique mathematical tools of Hamiltonian dynamics, like the action--angle formalism, classical perturbation theory, canonical transformations of variables, symplectic mappings, the Poincaré-Melnikov integrals. They are extensively used for analytical studies as well as for numerical simulations of magnetic field lines, particle dynamics, their spatial structures and statisti...
Simulation of burning plasma dynamics in ITER
International Nuclear Information System (INIS)
Wang, J.F.; Amano, T.; Ogawa, Y.; Inoue, N.
1996-02-01
Dynamics of burning plasma for various transient situations in ITER plasma has been simulated with a 1.5-dimensional up-down asymmetry Tokamak Transport Simulation Code (TTSC). We have mainly paid attention to intrinsic plasma transport processes such as the confinement improvement and the change of plasma profiles. It is shown that a large excursion of the fusion power takes place with a small improvement of the plasma confinement; e.g., an increase of the global energy confinement by a factor of 1.22 yields the fusion power excursion of ∼ 30% within a few seconds. Any feedback control of fueling D-T gas is difficult to respond to this short time scale of fusion power transient. The effect of the plasma profile on the fusion power excursion has been studied, by changing the particle transport denoted by the inward pinch parameter C V . It is found that the fusion power excursion is mild and slow, and the feedback control is quite effective in suppressing the fusion power excursion and in shortening the duration time of power transient in this case. The change in the pumping efficiency has also been studied and a large excursion of the fusion power has not been observed, because of the decrease in the fuel density itself in the case of the increase in the pumping efficiency, and the helium ash accumulation in the case of the decrease in the pumping efficiency. Finally it is shown that the MHD sawteeth activity leads to the fusion power fluctuation of ± 20%, although it is helpful for the helium ash exhaust. (author)
Visualizing Structure and Dynamics of Disaccharide Simulations
Energy Technology Data Exchange (ETDEWEB)
Matthews, J. F.; Beckham, G. T.; Himmel, M. E.; Crowley, M. F.
2012-01-01
We examine the effect of several solvent models on the conformational properties and dynamics of disaccharides such as cellobiose and lactose. Significant variation in timescale for large scale conformational transformations are observed. Molecular dynamics simulation provides enough detail to enable insight through visualization of multidimensional data sets. We present a new way to visualize conformational space for disaccharides with Ramachandran plots.
Simulations of Shock Wave Interaction with a Particle Cloud
Koneru, Rahul; Rollin, Bertrand; Ouellet, Frederick; Annamalai, Subramanian; Balachandar, S.'Bala'
2016-11-01
Simulations of a shock wave interacting with a cloud of particles are performed in an attempt to understand similar phenomena observed in dispersal of solid particles under such extreme environment as an explosion. We conduct numerical experiments in which a particle curtain fills only 87% of the shock tube from bottom to top. As such, the particle curtain upon interaction with the shock wave is expected to experience Kelvin-Helmholtz (KH) and Richtmyer-Meshkov (RM) instabilities. In this study, the initial volume fraction profile matches with that of Sandia Multiphase Shock Tube experiments, and the shock Mach number is limited to M =1.66. In these simulations we use a Eulerian-Lagrangian approach along with state-of-the-art point-particle force and heat transfer models. Measurements of particle dispersion are made at different initial volume fractions of the particle cloud. A detailed analysis of the evolution of the particle curtain with respect to the initial conditions is presented. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, Contract No. DE-NA0002378.
Large scale particle simulations in a virtual memory computer
International Nuclear Information System (INIS)
Gray, P.C.; Million, R.; Wagner, J.S.; Tajima, T.
1983-01-01
Virtual memory computers are capable of executing large-scale particle simulations even when the memory requirements exceeds the computer core size. The required address space is automatically mapped onto slow disc memory the the operating system. When the simulation size is very large, frequent random accesses to slow memory occur during the charge accumulation and particle pushing processes. Assesses to slow memory significantly reduce the excecution rate of the simulation. We demonstrate in this paper that with the proper choice of sorting algorithm, a nominal amount of sorting to keep physically adjacent particles near particles with neighboring array indices can reduce random access to slow memory, increase the efficiency of the I/O system, and hence, reduce the required computing time. (orig.)
Program BETA for simulation of particle decays and reactions
International Nuclear Information System (INIS)
Takhtamyshev, G.G.; Merkulova, T.A.
1997-01-01
Program BETA is designed for simulation of particle decays and reactions. The program also produces integration over the phase space and decay rate or the reaction cross section are calculated as a result of such integration. At the simulation process the adaptive random number generator SMART may be used, what is found to be useful for some difficult cases
Launch Environment Water Flow Simulations Using Smoothed Particle Hydrodynamics
Vu, Bruce T.; Berg, Jared J.; Harris, Michael F.; Crespo, Alejandro C.
2015-01-01
This paper describes the use of Smoothed Particle Hydrodynamics (SPH) to simulate the water flow from the rainbird nozzle system used in the sound suppression system during pad abort and nominal launch. The simulations help determine if water from rainbird nozzles will impinge on the rocket nozzles and other sensitive ground support elements.
Molecular dynamics simulation of impact test
International Nuclear Information System (INIS)
Akahoshi, Y.; Schmauder, S.; Ludwig, M.
1998-01-01
This paper describes an impact test by molecular dynamics (MD) simulation to evaluate embrittlement of bcc Fe at different temperatures. A new impact test model is developed for MD simulation. The typical fracture behaviors show transition from brittle to ductile fracture, and a history of the impact loads also demonstrates its transition. We conclude that the impact test by MD could be feasible. (orig.)
Modular simulation of reefer container dynamics
DEFF Research Database (Denmark)
Sørensen, Kresten Kjær; Nielsen, Jens Frederik Dalsgaard; Stoustrup, Jakob
2014-01-01
for faults enabling preventive maintenance. In this paper the feasibility of using different simulation methods is assessed with the goal of identifying a fast but accurate method that works well in a multi-rate environment. A modular multi-rate simulation environment for a dynamical system consisting...
Molecular dynamics simulation of impact test
Energy Technology Data Exchange (ETDEWEB)
Akahoshi, Y. [Kyushu Inst. of Tech., Kitakyushu, Fukuoka (Japan); Schmauder, S.; Ludwig, M. [Stuttgart Univ. (Germany). Staatliche Materialpruefungsanstalt
1998-11-01
This paper describes an impact test by molecular dynamics (MD) simulation to evaluate embrittlement of bcc Fe at different temperatures. A new impact test model is developed for MD simulation. The typical fracture behaviors show transition from brittle to ductile fracture, and a history of the impact loads also demonstrates its transition. We conclude that the impact test by MD could be feasible. (orig.)
Molecular Dynamic Studies of Particle Wake Potentials in Plasmas
Ellis, Ian; Graziani, Frank; Glosli, James; Strozzi, David; Surh, Michael; Richards, David; Decyk, Viktor; Mori, Warren
2010-11-01
Fast Ignition studies require a detailed understanding of electron scattering, stopping, and energy deposition in plasmas with variable values for the number of particles within a Debye sphere. Presently there is disagreement in the literature concerning the proper description of these processes. Developing and validating proper descriptions requires studying the processes using first-principle electrostatic simulations and possibly including magnetic fields. We are using the particle-particle particle-mesh (P^3M) code ddcMD to perform these simulations. As a starting point in our study, we examined the wake of a particle passing through a plasma. In this poster, we compare the wake observed in 3D ddcMD simulations with that predicted by Vlasov theory and those observed in the electrostatic PIC code BEPS where the cell size was reduced to .03λD.
Dynamics of a single particle in a horizontally shaken box
Drossel, Barbara; Prellberg, Thomas
1997-01-01
We study the dynamics of a particle in a horizontally and periodically shaken box as a function of the box parameters and the coefficient of restitution. For certain parameter values, the particle becomes regularly chattered at one of the walls, thereby loosing all its kinetic energy relative to that wall. The number of container oscillations between two chattering events depends in a fractal manner on the parameters of the system. In contrast to a vertically vibrated particle, for which chat...
Regular and stochastic particle motion in plasma dynamics
International Nuclear Information System (INIS)
Kaufman, A.N.
1979-08-01
A Hamiltonian formalism is presented for the study of charged-particle trajectories in the self-consistent field of the particles. The intention is to develop a general approach to plasma dynamics. Transformations of phase-space variables are used to separate out the regular, adiabatic motion from the irregular, stochastic trajectories. Several new techniques are included in this presentation
Kawasaki dynamics with two types of particles : critical droplets
Hollander, den W.Th.F.; Nardi, F.R.; Troiani, A.
2012-01-01
This is the third in a series of three papers in which we study a two-dimensional lattice gas consisting of two types of particles subject to Kawasaki dynamics at low temperature in a large finite box with an open boundary. Each pair of particles occupying neighboring sites has a negative binding
Kawasaki dynamics with two types of particles : critical droplets
Hollander, den W.Th.F.; Nardi, F.R.; Troiani, A.
2012-01-01
This is the third in a series of three papers in which we study a two-dimensional lattice gas consisting of two types of particles subject to Kawasaki dynamics at low temperature in a large ¿nite box with an open boundary. Each pair of particles occupying neighboring sites has a negative binding
Test Particle Energization and the Anisotropic Effects of Dynamical MHD Turbulence
González, C. A.; Dmitruk, P.; Mininni, P. D.; Matthaeus, W. H.
2017-11-01
In this paper, we analyze the effect of dynamical three-dimensional magnetohydrodynamic (MHD) turbulence on test particle acceleration and compare how this evolving system affects particle energization by current sheet interaction, as opposed to frozen-in-time fields. To do this, we analyze the ensemble particle acceleration for static electromagnetic fields extracted from direct numerical simulations of the MHD equations, and compare it with the dynamical fields. We show that a reduction in particle acceleration in the dynamical model results from particle trapping in field lines, which forces the particles to be advected by the flow and suppresses long exposures to the strong electric field gradients that take place between structures and generate (among other effects) an efficient particle acceleration in the static case. In addition, we analyze the effect of anisotropy caused by the mean magnetic field. It is well known that for sufficiently strong external fields, the system experiences a transition toward a two-dimensional flow. This causes an increment in the size of the coherent structures, resulting in a magnetized state of the particles and a reduction in particle energization.
Relativistic and separable classical hamiltonian particle dynamics
International Nuclear Information System (INIS)
Sazdjian, H.
1981-01-01
We show within the Hamiltonian formalism the existence of classical relativistic mechanics of N scalar particles interacting at a distance which satisfies the requirements of Poincare invariance, separability, world-line invariance and Einstein causality. The line of approach which is adopted here uses the methods of the theory of systems with constraints applied to manifestly covariant systems of particles. The study is limited to the case of scalar interactions remaining weak in the whole phase space and vanishing at large space-like separation distances of the particles. Poincare invariance requires the inclusion of many-body, up to N-body, potentials. Separability requires the use of individual or two-body variables and the construction of the total interaction from basic two-body interactions. Position variables of the particles are constructed in terms of the canonical variables of the theory according to the world-line invariance condition and the subsidiary conditions of the non-relativistic limit and separability. Positivity constraints on the interaction masses squared of the particles ensure that the velocities of the latter remain always smaller than the velocity of light
Winkler, Daniel; Zischg, Jonatan; Rauch, Wolfgang
2018-01-01
For communicating urban flood risk to authorities and the public, a realistic three-dimensional visual display is frequently more suitable than detailed flood maps. Virtual reality could also serve to plan short-term flooding interventions. We introduce here an alternative approach for simulating three-dimensional flooding dynamics in large- and small-scale urban scenes by reaching out to computer graphics. This approach, denoted 'particle in cell', is a particle-based CFD method that is used to predict physically plausible results instead of accurate flow dynamics. We exemplify the approach for the real flooding event in July 2016 in Innsbruck.
Explicit simulation of ice particle habits in a Numerical Weather Prediction Model
Hashino, Tempei
2007-05-01
This study developed a scheme for explicit simulation of ice particle habits in Numerical Weather Prediction (NWP) Models. The scheme is called Spectral Ice Habit Prediction System (SHIPS), and the goal is to retain growth history of ice particles in the Eulerian dynamics framework. It diagnoses characteristics of ice particles based on a series of particle property variables (PPVs) that reflect history of microphysieal processes and the transport between mass bins and air parcels in space. Therefore, categorization of ice particles typically used in bulk microphysical parameterization and traditional bin models is not necessary, so that errors that stem from the categorization can be avoided. SHIPS predicts polycrystals as well as hexagonal monocrystals based on empirically derived habit frequency and growth rate, and simulates the habit-dependent aggregation and riming processes by use of the stochastic collection equation with predicted PPVs. Idealized two dimensional simulations were performed with SHIPS in a NWP model. The predicted spatial distribution of ice particle habits and types, and evolution of particle size distributions showed good quantitative agreement with observation This comprehensive model of ice particle properties, distributions, and evolution in clouds can be used to better understand problems facing wide range of research disciplines, including microphysics processes, radiative transfer in a cloudy atmosphere, data assimilation, and weather modification.
PLASMA ENERGETIC PARTICLES SIMULATION CENTER (PEPSC)
Energy Technology Data Exchange (ETDEWEB)
Berk, Herbert L.
2014-05-23
The main effort of the Texas group was to develop theoretical and simplified numerical models to understand chirping phenomena often seen for Alfven and geodesic acoustic waves in experimental plasmas such as D-III-D, NSTX and JET. Its main numerical effort was to modify the AEGIS code, which was originally developed as an eigenvalue solver. To apply to the chirping problem this code has to be able to treat the linear response to the continuum and the response of the plasma to external drive or to an internal drive that comes from the formation of phase space chirping structures. The theoretical underpinning of this investigation still needed to be more fully developed to understand how to best formulate the theoretical problem. Considerable progress was made on this front by B.N. Breizman and his collaborators and a new reduced model was developed by H. L. Berk and his PhD student, G. Wang which can be uses as simplified model to describe chirping in a large aspect ratio tokamak. This final report will concentrate on these two directions that were developed as well as results that were found in the work with the AEGIS code and in the progress in developing a novel quasi-linear formulation for a description of Alfvenic modes destabilized by energetic particles, such as alpha particles in a burning plasma.
Dynamic wormholes with particle creation mechanism
Energy Technology Data Exchange (ETDEWEB)
Pan, Supriya; Chakraborty, Subenoy [Jadavpur University, Department of Mathematics, Kolkata (India)
2015-01-01
The present work deals with a spherically symmetric space-time which is asymptotically (at spatial infinity) FRW space-time and represents wormhole configuration: The matter component is divided into two parts - (a) dissipative but homogeneous and isotropic fluid, and (b) an inhomogeneous and anisotropic barotropic fluid. Evolving wormhole solutions are obtained when isotropic fluid is phantom in nature and there is a big rip singularity at the end. Here the dissipative phenomena is due to the particle creation mechanism in non-equilibrium thermodynamics. Using the process to be adiabatic, the dissipative pressure is expressed linearly to the particle creation rate. For two choices of the particle creation rate as a function of the Hubble parameter, the equation of state parameter of the isotropic fluid is constrained to be in the phantom domain, except in one choice, it is possible to have wormhole configuration with normal isotropic fluid. (orig.)
Dynamic Simulation of AN Helium Refrigerator
Deschildre, C.; Barraud, A.; Bonnay, P.; Briend, P.; Girard, A.; Poncet, J. M.; Roussel, P.; Sequeira, S. E.
2008-03-01
A dynamic simulation of a large scale existing refrigerator has been performed using the software Aspen Hysys®. The model comprises the typical equipments of a cryogenic system: heat exchangers, expanders, helium phase separators and cold compressors. It represents the 400 W @ 1.8 K Test Facility located at CEA—Grenoble. This paper describes the model development and shows the possibilities and limitations of the dynamic module of Aspen Hysys®. Then, comparison between simulation results and experimental data are presented; the simulation of cooldown process was also performed.
Multi-grid Particle-in-cell Simulations of Plasma Microturbulence
International Nuclear Information System (INIS)
Lewandowski, J.L.V.
2003-01-01
A new scheme to accurately retain kinetic electron effects in particle-in-cell (PIC) simulations for the case of electrostatic drift waves is presented. The splitting scheme, which is based on exact separation between adiabatic and on adiabatic electron responses, is shown to yield more accurate linear growth rates than the standard df scheme. The linear and nonlinear elliptic problems that arise in the splitting scheme are solved using a multi-grid solver. The multi-grid particle-in-cell approach offers an attractive path, both from the physics and numerical points of view, to simulate kinetic electron dynamics in global toroidal plasmas
Particle Transport Simulation on Heterogeneous Hardware
CERN. Geneva
2014-01-01
CPUs and GPGPUs. About the speaker Vladimir Koylazov is CTO and founder of Chaos Software and one of the original developers of the V-Ray raytracing software. Passionate about 3D graphics and programming, Vlado is the driving force behind Chaos Group's software solutions. He participated in the implementation of algorithms for accurate light simulations and support for different hardware platforms, including CPU and GPGPU, as well as distributed calculat...
Relativistic three-particle dynamical equations: I. Theoretical development
International Nuclear Information System (INIS)
Adhikari, S.K.; Tomio, L.; Frederico, T.
1993-11-01
Starting from the two-particle Bethe-Salpeter equation in the ladder approximation and integrating over the time component of momentum, three dimensional scattering integral equations satisfying constrains of relativistic unitarity and covariance are rederived. These equations were first derived by Weinberg and by Blankenbecler and Sugar. These two-particle equations are shown to be related by a transformation of variables. Hence it is shown to perform and relate dynamical calculation using these two equations. Similarly, starting from the Bethe-Salpeter-Faddeev equation for the three-particle system and integrating over the time component of momentum, several three dimensional three-particle scattering equations satisfying constraints of relativistic unitary and covariance are derived. Two of these three-particle equations are related by a transformation of variables as in the two-particle case. The three-particle equations obtained are very practical and suitable for performing relativistic scattering calculations. (author)
A Coupling Tool for Parallel Molecular Dynamics-Continuum Simulations
Neumann, Philipp
2012-06-01
We present a tool for coupling Molecular Dynamics and continuum solvers. It is written in C++ and is meant to support the developers of hybrid molecular - continuum simulations in terms of both realisation of the respective coupling algorithm as well as parallel execution of the hybrid simulation. We describe the implementational concept of the tool and its parallel extensions. We particularly focus on the parallel execution of particle insertions into dense molecular systems and propose a respective parallel algorithm. Our implementations are validated for serial and parallel setups in two and three dimensions. © 2012 IEEE.
Simulation of the Dynamic Inefficiency of the CMS Pixel Detector
INSPIRE-00380273
2015-05-07
The Pixel Detector is the innermost part of the CMS Tracker. It therefore has to prevail in the harshest environment in terms of particle fluence and radiation. There are several mechanisms that may decrease the efficiency of the detector. These are mainly caused by data acquisition (DAQ) problems and/or Single Event Upsets (SEU). Any remaining efficiency loss is referred to as the dynamic inefficiency. It is caused by various mechanisms inside the Readout Chip (ROC) and depends strongly on the data occupancy. In the 2012 data, at high values of instantaneous luminosity the inefficiency reached 2\\% (in the region closest to the interaction point) which is not negligible. In the 2015 run higher instantaneous luminosity is expected, which will result in lower efficiencies; therefore this effect needs to be understood and simulated. A data-driven method has been developed to simulate dynamic inefficiency, which has been shown to successfully simulate the effects.
Cooper, Andrew P.; Cole, Shaun; Frenk, Carlos S.; Le Bret, Theo; Pontzen, Andrew
2017-08-01
Particle tagging is an efficient, but approximate, technique for using cosmological N-body simulations to model the phase-space evolution of the stellar populations predicted, for example, by a semi-analytic model of galaxy formation. We test the technique developed by Cooper et al. (which we call stings here) by comparing particle tags with stars in a smooth particle hydrodynamic (SPH) simulation. We focus on the spherically averaged density profile of stars accreted from satellite galaxies in a Milky Way (MW)-like system. The stellar profile in the SPH simulation can be recovered accurately by tagging dark matter (DM) particles in the same simulation according to a prescription based on the rank order of particle binding energy. Applying the same prescription to an N-body version of this simulation produces a density profile differing from that of the SPH simulation by ≲10 per cent on average between 1 and 200 kpc. This confirms that particle tagging can provide a faithful and robust approximation to a self-consistent hydrodynamical simulation in this regime (in contradiction to previous claims in the literature). We find only one systematic effect, likely due to the collisionless approximation, namely that massive satellites in the SPH simulation are disrupted somewhat earlier than their collisionless counterparts. In most cases, this makes remarkably little difference to the spherically averaged distribution of their stellar debris. We conclude that, for galaxy formation models that do not predict strong baryonic effects on the present-day DM distribution of MW-like galaxies or their satellites, differences in stellar halo predictions associated with the treatment of star formation and feedback are much more important than those associated with the dynamical limitations of collisionless particle tagging.
Real-time visualization of dynamic particle contact failures
Energy Technology Data Exchange (ETDEWEB)
Parab, Niranjan D.; Hudspeth, Matthew; Claus, Ben; Guo, Zherui; Sun, Tao; Fezzaa, Kamel; Chen, Weinong W.
2017-01-01
Granular materials are widely used to resist impact and blast. Under these dynamic loadings, the constituent particles in the granular system fracture. To study the fracture mechanisms in brittle particles under dynamic compressive loading, a high speed X-ray phase contrast imaging setup was synchronized with a Kolsky bar apparatus. Controlled compressive loading was applied on two contacting particles using the Kolsky bar apparatus and fracture process was captured using the high speed X-ray imaging setup. Five different particles were investigated: soda-lime glass, polycrystalline silica (silicon dioxide), polycrystalline silicon, barium titanate glass, and yttrium stabilized zirconia. For both soda lime glass and polycrystalline silica particles, one of the particles fragmented explosively, thus breaking into many small pieces. For Silicon and barium titanate glass particles, a finite number of cracks were observed in one of the particles causing it to fracture. For yttrium stabilized zirconia particles, a single meridonial crack developed in one of the particles, breaking it into two parts.
Study on the dynamics of charged particles in a rarefied gas of thermonuclear reactor injector
International Nuclear Information System (INIS)
Afanas'ev, P.N.; Svistunov, Yu.A.; Sidorov, V.P.; Udovichenko, S.Yu.
1987-01-01
The motion of an ion beam directly beyond the source is considered in the assumption of homogeneous density of rarefied gas along the injector. Using numerical simulation the dynamics of fast particles in plasma electric field, created by the beam as a result of gas neutral atom ionization, is investigated. It is shown that stationary ambipolar electric field of ''plasma lens'' can affect considerably the beam transverse dynamics
Lattice dynamics and molecular dynamics simulation of complex materials
International Nuclear Information System (INIS)
Chaplot, S.L.
1997-01-01
In this article we briefly review the lattice dynamics and molecular dynamics simulation techniques, as used for complex ionic and molecular solids, and demonstrate a number of applications through examples of our work. These computational studies, along with experiments, have provided microscopic insight into the structure and dynamics, phase transitions and thermodynamical properties of a variety of materials including fullerene, high temperature superconducting oxides and geological minerals as a function of pressure and temperature. The computational techniques also allow the study of the structures and dynamics associated with disorder, defects, surfaces, interfaces etc. (author)
Dynamics of the Wigner crystal of composite particles
Shi, Junren; Ji, Wencheng
2018-03-01
Conventional wisdom has long held that a composite particle behaves just like an ordinary Newtonian particle. In this paper, we derive the effective dynamics of a type-I Wigner crystal of composite particles directly from its microscopic wave function. It indicates that the composite particles are subjected to a Berry curvature in the momentum space as well as an emergent dissipationless viscosity. While the dissipationless viscosity is the Chern-Simons field counterpart for the Wigner crystal, the Berry curvature is a feature not presented in the conventional composite fermion theory. Hence, contrary to general belief, composite particles follow the more general Sundaram-Niu dynamics instead of the ordinary Newtonian one. We show that the presence of the Berry curvature is an inevitable feature for a dynamics conforming to the dipole picture of composite particles and Kohn's theorem. Based on the dynamics, we determine the dispersions of magnetophonon excitations numerically. We find an emergent magnetoroton mode which signifies the composite-particle nature of the Wigner crystal. It occurs at frequencies much lower than the magnetic cyclotron frequency and has a vanishing oscillator strength in the long-wavelength limit.
Discrete particle noise in particle-in-cell simulations of plasma microturbulence
International Nuclear Information System (INIS)
Nevins, W.M.; Hammett, G.W.; Dimits, A.M.; Dorland, W.; Shumaker, D.E.
2005-01-01
Recent gyrokinetic simulations of electron temperature gradient (ETG) turbulence with the global particle-in-cell (PIC) code GTC [Z. Lin et al., Proceedings of the 20th Fusion Energy Conference, Vilamoura, Portugal, 2004 (IAEA, Vienna, 2005)] yielded different results from earlier flux-tube continuum code simulations [F. Jenko and W. Dorland, Phys. Rev. Lett. 89, 225001 (2002)] despite similar plasma parameters. Differences between the simulation results were attributed to insufficient phase-space resolution and novel physics associated with global simulation models. The results of the global PIC code are reproduced here using the flux-tube PIC code PG3EQ [A. M. Dimits et al., Phys. Rev. Lett. 77, 71 (1996)], thereby eliminating global effects as the cause of the discrepancy. The late-time decay of the ETG turbulence and the steady-state heat transport observed in these PIC simulations are shown to result from discrete particle noise. Discrete particle noise is a numerical artifact, so both these PG3EQ simulations and, by inference, the GTC simulations that they reproduced have little to say about steady-state ETG turbulence and the associated anomalous heat transport. In the course of this work several diagnostics are developed to retrospectively test whether a particular PIC simulation is dominated by discrete particle noise
SIMULATION OF PARTICLE SPECTRA AT RHIC
International Nuclear Information System (INIS)
KAHANA, D.E.; KAHANA, S.H.
2001-01-01
A purely hadronic simulation is performed of the recently reported data from PHOBOS at energies of √s = 56, 130 GeV using the relativistic heavy ion cascade LUCIFER which had previously given a good description of the NA49 inclusive spectra at √s = 17.2 GeV/A. The results compare well with these early measurements at RHIC and indeed successfully predict the increase in multiplicity now seen by PHOBOS and the other RHIC detectors at the nominal maximum energy of √s = 200 GeV/A, suggesting that evidence for quark-gluon matter remains elusive
Dynamical phases of attractive particles sliding on a structured surface
International Nuclear Information System (INIS)
Hasnain, J; Jungblut, S; Dellago, C
2015-01-01
Inspired by experiments on quartz crystal microbalance setups, we study the mobility of a monolayer of Lennard-Jones particles driven over a hexagonal external potential. We pay special attention to the changes in the dynamical phases that arise when the lattice constant of the external substrate potential and the Lennard-Jones interaction are mismatched. We find that if the average particle separation is such that the particles repel each other, or interact harmonically, the qualitative behavior of the system is akin to that of a monolayer of purely repulsive Yukawa particles. On the other hand, if the particles typically attract each other, the ensuing dynamical states are determined entirely by the relative strength of the Lennard-Jones interaction with respect to that of the external potential. (paper)
Quantum dynamical simulations of local field enhancement in metal nanoparticles.
Negre, Christian F A; Perassi, Eduardo M; Coronado, Eduardo A; Sánchez, Cristián G
2013-03-27
Field enhancements (Γ) around small Ag nanoparticles (NPs) are calculated using a quantum dynamical simulation formalism and the results are compared with electrodynamic simulations using the discrete dipole approximation (DDA) in order to address the important issue of the intrinsic atomistic structure of NPs. Quite remarkably, in both quantum and classical approaches the highest values of Γ are located in the same regions around single NPs. However, by introducing a complete atomistic description of the metallic NPs in optical simulations, a different pattern of the Γ distribution is obtained. Knowing the correct pattern of the Γ distribution around NPs is crucial for understanding the spectroscopic features of molecules inside hot spots. The enhancement produced by surface plasmon coupling is studied by using both approaches in NP dimers for different inter-particle distances. The results show that the trend of the variation of Γ versus inter-particle distance is different for classical and quantum simulations. This difference is explained in terms of a charge transfer mechanism that cannot be obtained with classical electrodynamics. Finally, time dependent distribution of the enhancement factor is simulated by introducing a time dependent field perturbation into the Hamiltonian, allowing an assessment of the localized surface plasmon resonance quantum dynamics.
Dynamics of a jumping particle on a staircase profile
International Nuclear Information System (INIS)
Campos, J.; Romero-Valles, M.J.; Torres, P.J.; Veerman, J.J.P.
2007-01-01
We perform a detailed analysis of the dynamics of the descent of a particle bouncing down a staircase profile under the action of gravity. In order to get interesting dynamics we make a detail analysis of the case which the particle loses momentum in the direction orthogonal to the collision plane but preserves the tangential component of the momentum. We prove that in this case all orbits are bounded and show the existence and stability of periodic solutions. The interplay between loss and gain of energy due to impacts and free falling respectively generates a rich dynamics
Modelling and simulation of particle-particle interaction in a magnetophoretic bio-separation chip
Alam, Manjurul; Golozar, Matin; Darabi, Jeff
2018-04-01
A Lagrangian particle trajectory model is developed to predict the interaction between cell-bead particle complexes and to track their trajectories in a magnetophoretic bio-separation chip. Magnetic flux gradients are simulated in the OpenFOAM CFD software and imported into MATLAB to obtain the trapping lengths and trajectories of the particles. A connector vector is introduced to calculate the interaction force between cell-bead complexes as they flow through a microfluidic device. The interaction force calculations are performed for cases where the connector vector is parallel, perpendicular, and at an angle of 45° with the applied magnetic field. The trajectories of the particles are simulated by solving a system of eight ordinary differential equations using a fourth order Runge-Kutta method. The model is then used to study the effects of geometric positions and angles of the connector vector between the particles as well as the cell size, number of beads per cell, and flow rate on the interaction force and trajectories of the particles. The results show that the interaction forces may be attractive or repulsive, depending on the orientation of the connector vector distance between the particle complexes and the applied magnetic field. When the interaction force is attractive, the particles are observed to merge and trap sooner than a single particle, whereas a repulsive interaction force has little or no effect on the trapping length.
Dynamic large eddy simulation: Stability via realizability
Mokhtarpoor, Reza; Heinz, Stefan
2017-10-01
The concept of dynamic large eddy simulation (LES) is highly attractive: such methods can dynamically adjust to changing flow conditions, which is known to be highly beneficial. For example, this avoids the use of empirical, case dependent approximations (like damping functions). Ideally, dynamic LES should be local in physical space (without involving artificial clipping parameters), and it should be stable for a wide range of simulation time steps, Reynolds numbers, and numerical schemes. These properties are not trivial, but dynamic LES suffers from such problems over decades. We address these questions by performing dynamic LES of periodic hill flow including separation at a high Reynolds number Re = 37 000. For the case considered, the main result of our studies is that it is possible to design LES that has the desired properties. It requires physical consistency: a PDF-realizable and stress-realizable LES model, which requires the inclusion of the turbulent kinetic energy in the LES calculation. LES models that do not honor such physical consistency can become unstable. We do not find support for the previous assumption that long-term correlations of negative dynamic model parameters are responsible for instability. Instead, we concluded that instability is caused by the stable spatial organization of significant unphysical states, which are represented by wall-type gradient streaks of the standard deviation of the dynamic model parameter. The applicability of our realizability stabilization to other dynamic models (including the dynamic Smagorinsky model) is discussed.
DEFF Research Database (Denmark)
Hejlesen, Mads Mølholm; Spietz, Henrik J.; Walther, Jens Honore
2014-01-01
, unbounded particle-mesh based vortex method is used to simulate the instability, transition to turbulence and eventual destruction of a single vortex ring. From the simulation data a novel method on analyzing the dynamics of the enstrophy is presented based on the alignment of the vorticity vector...... with the principal axis of the strain rate tensor. We find that the dynamics of the enstrophy density is dominated by the local flow deformation and axis of rotation, which is used to infer some concrete tendencies related to the topology of the vorticity field....
Investigation on the cohesive silt/clay-particle sediment via the coupled CFD-DEM simulations
Xu, S.; Sun, H.; Sun, R.
2017-12-01
Sedimentation of silt/clay particles happens ubiquitously in nature and engineering field. There have been abundant studies focusing on the settling velocity of the cohesive particles, while studies on the sediment deposited from silt/clay irregular particles, including the vertical concentration profile of sediment and the various forces among the deposited particles are still lacking. This paper aims to investigate the above topics by employing the CFD-DEM (Computational Fluid Dynamics-Discrete Element Method) simulations. In this work, we simulate the settling of the mono- and poly- dispersed silt/clay particles and mainly study the characteristics of the deposited cohesive sediment. We use the bonded particles to simulate the irregular silt/clay aggregates at the initial state and utilize the van der Waals force for all micro-particles to consider the cohesive force among silt/clay particles. The interparticle collision force and the fluid-particle interaction forces are also considered in our numerical model. The value of the mean structural density of cohesive sediment obtained from simulations is in good agreement with the previous research, and it is obviously smaller than no-cohesive sediment because of the existence of the silt/clay flocs. Moreover, the solid concentration of sediment increases with the growth of the depth. It is because the silt/clay flocs are more easily to break up due to the gradually increased submerged gravity of the deposited particles along the depth. We also obtain the noncontacted cohesive force and contact force profiles during the sedimentation and the self-weight consolidation process. The study of the concentration profile and the forces among silt/clay sediment will help to give an accurate initial condition for calculating the speed of the reconsolidation process by employing the artificial loads, which is necessary for practical designs of the land reclamation projects.
Polymer nanocomposites: polymer and particle dynamics
Kim, Daniel
2012-01-01
Polymer nanocomposites containing nanoparticles smaller than the random coil size of their host polymer chains are known to exhibit unique properties, such as lower viscosity and glass transition temperature relative to the neat polymer melt. It has been hypothesized that these unusual properties result from fast diffusion of the nanostructures in the host polymer, which facilitates polymer chain relaxation by constraint release and other processes. In this study, the effects of addition of sterically stabilized inorganic nanoparticles to entangled cis-1,4-polyisoprene and polydimethylsiloxane on the overall rheology of nanocomposites are discussed. In addition, insights about the relaxation of the host polymer chains and transport properties of nanoparticles in entangled polymer nanocomposites are presented. The nanoparticles are found to act as effective plasticizers for their entangled linear hosts, and below a critical, chemistry and molecular-weight dependent particle volume fraction, lead to reduced viscosity, glass transition temperature, number of entanglements, and polymer relaxation time. We also find that the particle motions in the polymer host are hyperdiffusive and at the nanoparticle length scale, the polymer host acts like a simple, ideal fluid and the composites\\' viscosity rises with increasing particle concentration. © 2012 The Royal Society of Chemistry.
Macroscale implicit electromagnetic particle simulation of magnetized plasmas
International Nuclear Information System (INIS)
Tanaka, Motohiko.
1988-01-01
An electromagnetic and multi-dimensional macroscale particle simulation code (MACROS) is presented which enables us to make a large time and spatial scale kinetic simulation of magnetized plasmas. Particle ions, finite mass electrons with the guiding-center approximation and a complete set of Maxwell equations are employed. Implicit field-particle coupled equations are derived in which a time-decentered (slightly backward) finite differential scheme is used to achieve stability for large time and spatial scales. It is shown analytically that the present simulation scheme suppresses high frequency electromagnetic waves and that it accurately reproduces low frequency waves in the plasma. These properties are verified by numerical examination of eigenmodes in a 2-D thermal equilibrium plasma and by that of the kinetic Alfven wave. (author)
Target Lagrangian kinematic simulation for particle-laden flows.
Murray, S; Lightstone, M F; Tullis, S
2016-09-01
The target Lagrangian kinematic simulation method was motivated as a stochastic Lagrangian particle model that better synthesizes turbulence structure, relative to stochastic separated flow models. By this method, the trajectories of particles are constructed according to synthetic turbulent-like fields, which conform to a target Lagrangian integral timescale. In addition to recovering the expected Lagrangian properties of fluid tracers, this method is shown to reproduce the crossing trajectories and continuity effects, in agreement with an experimental benchmark.
Particle-in-cell Simulation of Dipolarization Front Associated Whistlers
Lin, D.; Scales, W.; Ganguli, G.; Crabtree, C. E.
2017-12-01
Dipolarization fronts (DFs) are dipolarized magnetic field embedded in the Earthward propagating bursty bulk flows (BBFs), which separates the hot, tenuous high-speed flow from the cold, dense, and slowly convecting surrounding plasma [Runov et al. 2011]. Broadband fluctuations have been observed at DFs including the electromagnetic whistler waves and electrostatic lower hybrid waves in the Very Low Frequency (VLF) range [e.g., Zhou et al. 2009, Deng et al. 2010]. There waves are suggested to be able heat electrons and play a critical role in the plasma sheet dynamics [Chaston et al., 2012, Angelopoulos et al., 2013]. However, their generation mechanism and role in the energy conversion are still under debate. The gradient scale of magnetic field, plasma density at DFs in the near-Earth magnetotail is comparable to or lower than the ion gyro radius [Runov et al., 2011, Fu et al., 2012, Breuillard et al., 2016]. Such strongly inhomogeneous configuration could be unstable to the electron-ion hybrid (EIH) instability, which arises from strongly sheared transverse flow and is in the VLF range [Ganguli et al. 1988, Ganguli et al. 2014]. The equilibrium of the EIH theory implies an anisotropy of electron temperature, which are likely to drive the whistler waves observed in DFs [Deng et al., 2010, Gary et al., 2011]. In order to better understand how the whistler waves are generated in DFs and whether the EIH theory is applicable, a fully electromagnetic particle-in-cell (EMPIC) model is used to simulate the EIH instability with similar equilibrium configurations in DF observations. The EMPIC model deals with three dimensions in the velocity space and two dimensions in the configuration space, which is quite ready to include the third configuration dimension. Simulation results will be shown in this presentation.
Simulation of plume dynamics by the Lattice Boltzmann Method
Mora, Peter; Yuen, David A.
2017-09-01
The Lattice Boltzmann Method (LBM) is a semi-microscopic method to simulate fluid mechanics by modelling distributions of particles moving and colliding on a lattice. We present 2-D simulations using the LBM of a fluid in a rectangular box being heated from below, and cooled from above, with a Rayleigh of Ra = 108, similar to current estimates of the Earth's mantle, and a Prandtl number of 5000. At this Prandtl number, the flow is found to be in the non-inertial regime where the inertial terms denoted I ≪ 1. Hence, the simulations presented lie within the regime of relevance for geodynamical problems. We obtain narrow upwelling plumes with mushroom heads and chutes of downwelling fluid as expected of a flow in the non-inertial regime. The method developed demonstrates that the LBM has great potential for simulating thermal convection and plume dynamics relevant to geodynamics, albeit with some limitations.
Monte Carlo simulation of particle-induced bit upsets
Wrobel, Frédéric; Touboul, Antoine; Vaillé, Jean-Roch; Boch, Jérôme; Saigné, Frédéric
2017-09-01
We investigate the issue of radiation-induced failures in electronic devices by developing a Monte Carlo tool called MC-Oracle. It is able to transport the particles in device, to calculate the energy deposited in the sensitive region of the device and to calculate the transient current induced by the primary particle and the secondary particles produced during nuclear reactions. We compare our simulation results with SRAM experiments irradiated with neutrons, protons and ions. The agreement is very good and shows that it is possible to predict the soft error rate (SER) for a given device in a given environment.
Monte Carlo simulation of particle-induced bit upsets
Directory of Open Access Journals (Sweden)
Wrobel Frédéric
2017-01-01
Full Text Available We investigate the issue of radiation-induced failures in electronic devices by developing a Monte Carlo tool called MC-Oracle. It is able to transport the particles in device, to calculate the energy deposited in the sensitive region of the device and to calculate the transient current induced by the primary particle and the secondary particles produced during nuclear reactions. We compare our simulation results with SRAM experiments irradiated with neutrons, protons and ions. The agreement is very good and shows that it is possible to predict the soft error rate (SER for a given device in a given environment.
Optimization of the particle pusher in a diode simulation code
International Nuclear Information System (INIS)
Theimer, M.M.; Quintenz, J.P.
1979-09-01
The particle pusher in Sandia's particle-in-cell diode simulation code has been rewritten to reduce the required run time of a typical simulation. The resulting new version of the code has been found to run up to three times as fast as the original with comparable accuracy. The cost of this optimization was an increase in storage requirements of about 15%. The new version has also been written to run efficiently on a CRAY-1 computing system. Steps taken to affect this reduced run time are described. Various test cases are detailed
Open boundaries for particle beams within fit-simulations
Energy Technology Data Exchange (ETDEWEB)
Balk, M.C. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany)]. E-mail: balk@temf.tu-darmstadt.de; Schuhmann, R. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany); Weiland, T. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany)
2006-03-01
A method is proposed to simulate open boundary conditions for charged particle beams with v
Open boundaries for particle beams within fit-simulations
International Nuclear Information System (INIS)
Balk, M.C.; Schuhmann, R.; Weiland, T.
2006-01-01
A method is proposed to simulate open boundary conditions for charged particle beams with v< c in time domain or frequency domain within the Finite Integration Technique (FIT). Inside the calculation domain the moving charged particles are represented by a line current. Further, the simulated field components at the boundary of the calculation domain have to be modified for an undisturbed transmission of the space-charge field. This can be realised by a 'scattered field' formulation. The method is verified by several calculations
Modelization and numerical simulation of atmospheric aerosols dynamics
International Nuclear Information System (INIS)
Debry, Edouard
2004-01-01
Chemical-transport models are now able to describe in a realistic way gaseous pollutants behavior in the atmosphere. Nevertheless atmospheric pollution also exists as a fine suspended particles, called aerosols which interact with gaseous phase, solar radiation, and have their own dynamic behavior. The goal of this thesis is the modelization and numerical simulation of the General Dynamic Equation of aerosols (GDE). Part I deals with some theoretical aspects of aerosol modelization. Part II is dedicated to the building of one size resolved aerosol model (SIREAM). In part III we perform the reduction of this model in order to use it in dispersion models as POLAIR3D. Several modelization issues are still opened: organic aerosol matter, externally mixed aerosols, coupling with turbulent mixing, and nano-particles. (author) [fr
Smoothed particle hydrodynamic simulations of expanding HII regions
Bisbas, Thomas G.
2009-09-01
This thesis deals with numerical simulations of expanding ionized regions, known as HII regions. We implement a new three dimensional algorithm in Smoothed Particle Hydrodynamics for including the dynamical effects of the interaction between ionizing radiation and the interstellar medium. This interaction plays a crucial role in star formation at all epochs. We study the influence of ionizing radiation in spherically symmetric clouds. In particular, we study the spherically symmetric expansion of an HII region inside a uniform-density, non-self-gravitating cloud. We examine the ability of our algorithm to reproduce the known theoretical solution and we find that the agreement is very good. We also study the spherically symmetric expansion inside a uniform-density, self-gravitating cloud. We propose a new differential equation of motion for the expanding shell that includes the effects of gravity. Comparing its numerical solution with the simulations, we find that the equation predicts the position of the shell accurately. We also study the expansion of an off-centre HII region inside a uniform-density, non- self-gravitating cloud. This results in an evolution known as the rocket effect, where the ionizing radiation pushes and accelerates the cloud away from the exciting star leading to its dispersal. During this evolution, cometary knots appear as a result of Rayleigh-Taylor and Vishniac instabilities. The knots are composed of a dense head with a conic tail behind them, a structure that points towards the ionizing source. Our simulations show that these knots are very reminiscent of the observed structures in planetary nebula, such as in the Helix nebula. The last part of this thesis is dedicated to the study of cores ionized by an exciting source which is placed outside and far away from them. The evolution of these cores is known as radiation driven compression (or implosion). We perform simulations and compare our findings with results of other workers and we
Single-particle dynamics - RF acceleration
International Nuclear Information System (INIS)
Montague, B.W.
1977-01-01
In this paper the rf acceleration of both synchronous and non-synchronous particles is discussed and a simple linearized equation of small amplitude synchrotron oscillations is derived. Phase stability, the hamiltonian for synchrotron oscillations, oscillation amplitudes and adiabatic damping are then briefly discussed. The final sections of the paper contain a description of the basic principles of rf beam stacking in the longitudinal phase space of intersecting Storage Rings and a description of phase displacement acceleration which inspite of certain disadvantages, remains an attractive technique for proton storage rings. (B.D.)
Noiseless Vlasov–Poisson simulations with linearly transformed particles
Energy Technology Data Exchange (ETDEWEB)
Campos Pinto, Martin, E-mail: campos@ann.jussieu.fr [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); CNRS, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005, Paris (France); UPMC Univ. Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005, Paris (France); Sonnendrücker, Eric, E-mail: sonnen@math.unistra.fr [IRMA, UMR 7501, Université de Strasbourg and CNRS, 7 rue René Descartes, F-67084 Strasbourg Cedex (France); Project-team CALVI, INRIA Nancy Grand Est, 7 rue René Descartes, F-67084 Strasbourg Cedex (France); Friedman, Alex, E-mail: af@llnl.gov [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Grote, David P., E-mail: grote1@llnl.gov [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Lund, Steve M., E-mail: smlund@llnl.gov [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States)
2014-10-15
We introduce a deterministic discrete-particle simulation approach, the Linearly-Transformed Particle-In-Cell (LTPIC) method, that employs linear deformations of the particles to reduce the noise traditionally associated with particle schemes. Formally, transforming the particles is justified by local first order expansions of the characteristic flow in phase space. In practice the method amounts of using deformation matrices within the particle shape functions; these matrices are updated via local evaluations of the forward numerical flow. Because it is necessary to periodically remap the particles on a regular grid to avoid excessively deforming their shapes, the method can be seen as a development of Denavit's Forward Semi-Lagrangian (FSL) scheme (Denavit, 1972 [8]). However, it has recently been established (Campos Pinto, 2012 [20]) that the underlying Linearly-Transformed Particle scheme converges for abstract transport problems, with no need to remap the particles; deforming the particles can thus be seen as a way to significantly lower the remapping frequency needed in the FSL schemes, and hence the associated numerical diffusion. To couple the method with electrostatic field solvers, two specific charge deposition schemes are examined, and their performance compared with that of the standard deposition method. Finally, numerical 1d1v simulations involving benchmark test cases and halo formation in an initially mismatched thermal sheet beam demonstrate some advantages of our LTPIC scheme over the classical PIC and FSL methods. Benchmarked test cases also indicate that, for numerical choices involving similar computational effort, the LTPIC method is capable of accuracy comparable to or exceeding that of state-of-the-art, high-resolution Vlasov schemes.
Visualizing Energy on Target: Molecular Dynamics Simulations
2017-12-01
ARL-TR-8234 ● DEC 2017 US Army Research Laboratory Visualizing Energy on Target: Molecular Dynamics Simulations by DeCarlos E...return it to the originator. ARL-TR-8234● DEC 2017 US Army Research Laboratory Visualizing Energy on Target: Molecular Dynamics...REPORT TYPE Technical Report 3. DATES COVERED (From - To) 1 October 2015–30 September 2016 4. TITLE AND SUBTITLE Visualizing Energy on Target
Dynamic Fracture Simulations of Explosively Loaded Cylinders
Energy Technology Data Exchange (ETDEWEB)
Arthur, Carly W. [Univ. of California, Davis, CA (United States). Dept. of Civil and Environmental Engineering; Goto, D. M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2015-11-30
This report documents the modeling results of high explosive experiments investigating dynamic fracture of steel (AerMet® 100 alloy) cylinders. The experiments were conducted at Lawrence Livermore National Laboratory (LLNL) during 2007 to 2008 [10]. A principal objective of this study was to gain an understanding of dynamic material failure through the analysis of hydrodynamic computer code simulations. Two-dimensional and three-dimensional computational cylinder models were analyzed using the ALE3D multi-physics computer code.
Cyclotron beam dynamic simulations in MATLAB
International Nuclear Information System (INIS)
Karamysheva, G.A.; Karamyshev, O.V.; Lepkina, O.E.
2008-01-01
MATLAB is useful for beam dynamic simulations in cyclotrons. Programming in an easy-to-use environment permits creation of models in a short space of time. Advanced graphical tools of MATLAB give good visualization features to created models. The beam dynamic modeling results with an example of two different cyclotron designs are presented. Programming with MATLAB opens wide possibilities of the development of the complex program, able to perform complete block of calculations for the design of the accelerators
Development of HTGR plant dynamics simulation code
International Nuclear Information System (INIS)
Ohashi, Kazutaka; Tazawa, Yujiro; Mitake, Susumu; Suzuki, Katsuo.
1987-01-01
Plant dynamics simulation analysis plays an important role in the design work of nuclear power plant especially in the plant safety analysis, control system analysis, and transient condition analysis. The authors have developed the plant dynamics simulation code named VESPER, which is applicable to the design work of High Temperature Engineering Test Reactor, and have been improving the code corresponding to the design changes made in the subsequent design works. This paper describes the outline of VESPER code and shows its sample calculation results selected from the recent design work. (author)
Dynamic Simulations of Advanced Fuel Cycles
International Nuclear Information System (INIS)
Piet, Steven J.; Dixon, Brent W.; Jacobson, Jacob J.; Matthern, Gretchen E.; Shropshire, David E.
2011-01-01
Years of performing dynamic simulations of advanced nuclear fuel cycle options provide insights into how they could work and how one might transition from the current once-through fuel cycle. This paper summarizes those insights from the context of the 2005 objectives and goals of the U.S. Advanced Fuel Cycle Initiative (AFCI). Our intent is not to compare options, assess options versus those objectives and goals, nor recommend changes to those objectives and goals. Rather, we organize what we have learned from dynamic simulations in the context of the AFCI objectives for waste management, proliferation resistance, uranium utilization, and economics. Thus, we do not merely describe 'lessons learned' from dynamic simulations but attempt to answer the 'so what' question by using this context. The analyses have been performed using the Verifiable Fuel Cycle Simulation of Nuclear Fuel Cycle Dynamics (VISION). We observe that the 2005 objectives and goals do not address many of the inherently dynamic discriminators among advanced fuel cycle options and transitions thereof.
International Nuclear Information System (INIS)
Gustavsson, K; Mehlig, B; Meneguz, E; Reeks, M
2012-01-01
We have performed numerical simulations of inertial particles in random model flows in the white-noise limit (at zero Kubo number, Ku = 0) and at finite Kubo numbers. Our results for the moments of relative inertial-particle velocities are in good agreement with recent theoretical results (Gustavsson and Mehlig 2011a) based on the formation of phase-space singularities in the inertial-particle dynamics (caustics). We discuss the relation between three recent approaches describing the dynamics and spatial distribution of inertial particles suspended in turbulent flows: caustic formation, real-space singularities of the deformation tensor and random uncorrelated motion. We discuss how the phase- and real-space singularities are related. Their formation is well understood in terms of a local theory. We summarise the implications for random uncorrelated motion. (paper)
Natural tracer test simulation by stochastic particle tracking method
International Nuclear Information System (INIS)
Ackerer, P.; Mose, R.; Semra, K.
1990-01-01
Stochastic particle tracking methods are well adapted to 3D transport simulations where discretization requirements of other methods usually cannot be satisfied. They do need a very accurate approximation of the velocity field. The described code is based on the mixed hybrid finite element method (MHFEM) to calculated the piezometric and velocity field. The random-walk method is used to simulate mass transport. The main advantages of the MHFEM over FD or FE are the simultaneous calculation of pressure and velocity, which are considered as unknowns; the possibility of interpolating velocities everywhere; and the continuity of the normal component of the velocity vector from one element to another. For these reasons, the MHFEM is well adapted for particle tracking methods. After a general description of the numerical methods, the model is used to simulate the observations made during the Twin Lake Tracer Test in 1983. A good match is found between observed and simulated heads and concentrations. (Author) (12 refs., 4 figs.)
Towards four-flavour dynamical simulations
Energy Technology Data Exchange (ETDEWEB)
Herdoiza, Gregorio [DESY, Zeuthen (Germany). John von Neumann-Institut fuer Computing NIC; Univ. Autonoma de Madrid (Spain). Dept. de Fisica Teorica e Inst. de Fiscia Teorica
2011-03-15
The inclusion of physical effects from sea quarks has been one of the main advances in lattice QCD simulations over the last few years. We report on recent studies with four flavours of dynamical quarks and address some of the potential issues arising in this new setup. First results for physical observables in the light, strange and charm sectors are presented together with the status of dedicated simulations to perform the non-perturbative renormalisation in mass-independent schemes. (orig.)
Topological defect and quasi-particle dynamics in charge density waves
International Nuclear Information System (INIS)
Hayashi, Masahiko; Ebisawa, Hiromichi
2010-01-01
The dynamics of topological defects (dislocations) in charge density waves (CDW's) is largely affected by the quasi-particle dynamics in the cores of the dislocations. The dislocations mediate the conversion of the electron number between condensate and quasi-particle sub-systems. This is especially important in the sliding conduction of CDW. In this work we propose a simple model, which is obtained by extending the Ginzburg-Landau theory partially taking into account the quasi-particle dynamics in the sense of two-fluid model. We perform the numerical simulation of sliding conduction of CDW based on our model. Using this model we may clarify the detailed process of dislocation nucleation and annihilation near the contacts.
Computer simulations of liquid crystals: Defects, deformations and dynamics
Billeter, Jeffrey Lee
1999-11-01
Computer simulations play an increasingly important role in investigating fundamental issues in the physics of liquid crystals. Presented here are the results of three projects which utilize the unique power of simulations to probe questions which neither theory nor experiment can adequately answer. Throughout, we use the (generalized) Gay-Berne model, a widely-used phenomenological potential which captures the essential features of the anisotropic mesogen shapes and interactions. First, we used a Molecular Dynamics simulation with 65536 Gay-Berne particles to study the behaviors of topological defects in a quench from the isotropic to the nematic phase. Twist disclination loops were the dominant defects, and we saw evidence for dynamical scaling. We observed the loops separating, combining and collapsing, and we also observed numerous non-singular type-1 lines which appeared to be intimately involved with many of the loop processes. Second, we used a Molecular Dynamics simulation of a sphere embedded in a system of 2048 Gay-Berne particles to study the effects of radial anchoring of the molecules at the sphere's surface. A saturn ring defect configuration was observed, and the ring caused a driven sphere (modelling the falling ball experiment) to experience an increased resistance as it moved through the nematic. Deviations from a linear relationship between the driving force and the terminal speed are attributed to distortions of the saturn ring which we observed. The existence of the saturn ring confirms theoretical predictions for small spheres. Finally, we constructed a model for wedge-shaped molecules and used a linear response approach in a Monte Carlo simulation to investigate the flexoelectric behavior of a system of 256 such wedges. Novel potential models as well as novel analytical and visualization techniques were developed for these projects. Once again, the emphasis throughout was to investigate questions which simulations alone can adequately answer.
Particle Tracking and Simulation on the .NET Framework
International Nuclear Information System (INIS)
Nishimura, Hiroshi; Scarvie, Tom
2006-01-01
Particle tracking and simulation studies are becoming increasingly complex. In addition to the use of more sophisticated graphics, interactive scripting is becoming popular. Compatibility with different control systems requires network and database capabilities. It is not a trivial task to fulfill all the various requirements without sacrificing runtime performance. We evaluated the effectiveness of the .NET framework by converting a C++ simulation code to C. The portability to other platforms is mentioned in terms of Mono
Collective dynamics of particles from viscous to turbulent flows
2017-01-01
The book surveys the state-of-the-art methods that are currently available to model and simulate the presence of rigid particles in a fluid flow. For particles that are very small relative to the characteristic flow scales and move without interaction with other particles, effective equations of motion for particle tracking are formulated and applied (e.g. in gas-solid flows). For larger particles, for particles in liquid-solid flows and for particles that interact with each other or possibly modify the overall flow detailed model are presented. Special attention is given to the description of the approximate force coupling method (FCM) as a more general treatment for small particles, and derivations in the context of low Reynolds numbers for the particle motion as well as application at finite Reynolds numbers are provided. Other topics discussed in the book are the relation to higher resolution immersed boundary methods, possible extensions to non-spherical particles and examples of applications of such met...
Shear test on viscoelastic granular material using Contact Dynamics simulations
Quezada, Juan Carlos; Sagnol, Loba; Chazallon, Cyrille
2017-06-01
By means of 3D contact dynamic simulations, the behavior of a viscoelastic granular material under shear loading is investigated. A viscoelastic fluid phase surrounding the solid particles is simulated by a contact model acting between them. This contact law was implemented in the LMGC90 software, based on the Burgers model. This model is able to simulate also the effect of creep relaxation. To validate the proposed contact model, several direct shear tests were performed, experimentally and numerically using the Leutner device. The numerical samples were created using spheres with two particle size distribution, each one identified for two layers from a road structure. Our results show a reasonable agreement between experimental and numerical data regarding the strain-stress evolution curves and the stress levels measured at failure. The proposed model can be used to simulate the mechanical behavior of multi-layer road structure and to study the influence of traffic on road deformation, cracking and particles pull-out induced by traffic loading.
Dynamics of particles and fields. Final report
International Nuclear Information System (INIS)
Cahill, K.E.
1985-01-01
The principal objective of the proposed work is a better understanding of the internal and coordinate symmetries that characterize the interactions of the elementary particles. Their interactions - gravitational, weak, electromagnetic, and strong - seem to be well described by gauge theories, i.e., ones whose equations of motion are invariant under symmetry transformations that vary independently from point to point. The principal subject of the proposed research is the development of techniques for the numerical evaluation of path integrals, particularly those that occur in gauge theories. Other subjects of the proposed research are: quark confinement and other nonperturbative phenomena in field theory, gauge theories of compact and noncompact symmetry groups, supersymmetry, grand unification, the unification of the gravitational and electronuclear forces, and various topics in computer physics
Hierarchical silica particles by dynamic multicomponent assembly
DEFF Research Database (Denmark)
Wu, Z. W.; Hu, Q. Y.; Pang, J. B.
2005-01-01
Abstract: Aerosol-assisted assembly of mesoporous silica particles with hierarchically controllable pore structure has been prepared using cetyltrimethylammonium bromide (CTAB) and poly(propylene oxide) (PPO, H[OCH(CH3)CH2],OH) as co-templates. Addition of the hydrophobic PPO significantly...... influences the delicate hydrophilic-hydrophobic balance in the well-studied CTAB-silicate co-assembling system, resulting in various mesostructures (such as hexagonal, lamellar, and hierarchical structure). The co-assembly of CTAB, silicate clusters, and a low-molecular-weight PPO (average M-n 425) results...... in a uniform lamellar structure, while the use of a high-molecular-weight PPO (average M-n 2000), which is more hydrophobic, leads to the formation of hierarchical pore structure that contains meso-meso or meso-macro pore structure. The role of PPO additives on the mesostructure evolution in the CTAB...
Quantum Dynamics of Test Particle in Curved Space-Time
International Nuclear Information System (INIS)
Piechocki, W.
2002-01-01
To reveal the nature of space-time singularities of removable type we examine classical and quantum dynamics of a free particle in the Sitter type spacetimes. Consider space-times have different topologies otherwise are isometric. Our systems are integrable and we present analytic solutions of the classical dynamics. We quantize the systems by making use of the group theoretical method: we find an essentially self-adjoint representation of the algebra of observables integrable to the irreducible unitarity representation of the symmetry group of each consider gravitational system. The massless particle dynamics is obtained in the zero-mass limit of the massive case. Global properties of considered gravitational systems are of primary importance for the quantization procedure. Systems of a particle in space-times with removable singularities appear to be quantizable. We give specific proposal for extension of our analysis to space-times with essential type singularities. (author)
Cultural-based particle swarm for dynamic optimisation problems
Daneshyari, Moayed; Yen, Gary G.
2012-07-01
Many practical optimisation problems are with the existence of uncertainties, among which a significant number belong to the dynamic optimisation problem (DOP) category in which the fitness function changes through time. In this study, we propose the cultural-based particle swarm optimisation (PSO) to solve DOP problems. A cultural framework is adopted incorporating the required information from the PSO into five sections of the belief space, namely situational, temporal, domain, normative and spatial knowledge. The stored information will be adopted to detect the changes in the environment and assists response to the change through a diversity-based repulsion among particles and migration among swarms in the population space, and also helps in selecting the leading particles in three different levels, personal, swarm and global levels. Comparison of the proposed heuristics over several difficult dynamic benchmark problems demonstrates the better or equal performance with respect to most of other selected state-of-the-art dynamic PSO heuristics.
Fluid dynamics theory, computation, and numerical simulation
Pozrikidis, C
2001-01-01
Fluid Dynamics Theory, Computation, and Numerical Simulation is the only available book that extends the classical field of fluid dynamics into the realm of scientific computing in a way that is both comprehensive and accessible to the beginner The theory of fluid dynamics, and the implementation of solution procedures into numerical algorithms, are discussed hand-in-hand and with reference to computer programming This book is an accessible introduction to theoretical and computational fluid dynamics (CFD), written from a modern perspective that unifies theory and numerical practice There are several additions and subject expansions in the Second Edition of Fluid Dynamics, including new Matlab and FORTRAN codes Two distinguishing features of the discourse are solution procedures and algorithms are developed immediately after problem formulations are presented, and numerical methods are introduced on a need-to-know basis and in increasing order of difficulty Matlab codes are presented and discussed for a broad...
Fluid Dynamics Theory, Computation, and Numerical Simulation
Pozrikidis, Constantine
2009-01-01
Fluid Dynamics: Theory, Computation, and Numerical Simulation is the only available book that extends the classical field of fluid dynamics into the realm of scientific computing in a way that is both comprehensive and accessible to the beginner. The theory of fluid dynamics, and the implementation of solution procedures into numerical algorithms, are discussed hand-in-hand and with reference to computer programming. This book is an accessible introduction to theoretical and computational fluid dynamics (CFD), written from a modern perspective that unifies theory and numerical practice. There are several additions and subject expansions in the Second Edition of Fluid Dynamics, including new Matlab and FORTRAN codes. Two distinguishing features of the discourse are: solution procedures and algorithms are developed immediately after problem formulations are presented, and numerical methods are introduced on a need-to-know basis and in increasing order of difficulty. Matlab codes are presented and discussed for ...
Single-particle dynamics - Hamiltonian formulation
International Nuclear Information System (INIS)
Montague, B.W.
1977-01-01
In this paper the Hamiltonian formalism is applied to the linear theory of accelerator dynamics. The reasons for the introduction of this method rather than the more straightforward use of second order differential equations of motion are briefly discussed. An outline of Lagrangian and Hamiltonian formalism is given, some properties of the Hamiltonian are discussed and canonical transformations are illustrated. The methods are demonstrated using elementary examples such as the simple pendulum and the procedures adopted to handle specific problems in accelerator theory are indicated. (B.D.)
Dynamical theory of anomalous particle transport
International Nuclear Information System (INIS)
Meiss, J.D.; Cary, J.R.; Escande, D.F.; MacKay, R.S.; Percival, I.C.; Tennyson, J.L.
1985-01-01
The quasi-linear theory of transport applies only in a restricted parameter range, which does not necessarily correspond to experimental conditions. Theories are developed which extend transport calculations to the regimes of marginal stochasticity and strong turbulence. Near the stochastic threshold the description of transport involves the leakage through destroyed invariant surfaces, and the dynamical scaling theory is used to obtain a universal form for transport coefficients. In the strong-turbulence regime, there is an adiabatic invariant which is preserved except near separatrices. Breakdown of this invariant leads to a new form for the diffusion coefficient. (author)
Single-Particle Quantum Dynamics in a Magnetic Lattice
Energy Technology Data Exchange (ETDEWEB)
Venturini, Marco
2001-02-01
We study the quantum dynamics of a spinless charged-particle propagating through a magnetic lattice in a transport line or storage ring. Starting from the Klein-Gordon equation and by applying the paraxial approximation, we derive a Schroedinger-like equation for the betatron motion. A suitable unitary transformation reduces the problem to that of a simple harmonic oscillator. As a result we are able to find an explicit expression for the particle wavefunction.
Simulating Biomass Fast Pyrolysis at the Single Particle Scale
Energy Technology Data Exchange (ETDEWEB)
Ciesielski, Peter [National Renewable Energy Laboratory (NREL); Wiggins, Gavin [ORNL; Daw, C Stuart [ORNL; Jakes, Joseph E. [U.S. Forest Service, Forest Products Laboratory, Madison, Wisconsin, USA
2017-07-01
Simulating fast pyrolysis at the scale of single particles allows for the investigation of the impacts of feedstock-specific parameters such as particle size, shape, and species of origin. For this reason particle-scale modeling has emerged as an important tool for understanding how variations in feedstock properties affect the outcomes of pyrolysis processes. The origins of feedstock properties are largely dictated by the composition and hierarchical structure of biomass, from the microstructural porosity to the external morphology of milled particles. These properties may be accounted for in simulations of fast pyrolysis by several different computational approaches depending on the level of structural and chemical complexity included in the model. The predictive utility of particle-scale simulations of fast pyrolysis can still be enhanced substantially by advancements in several areas. Most notably, considerable progress would be facilitated by the development of pyrolysis kinetic schemes that are decoupled from transport phenomena, predict product evolution from whole-biomass with increased chemical speciation, and are still tractable with present-day computational resources.
Molecular dynamics simulation of a chemical reaction
International Nuclear Information System (INIS)
Gorecki, J.; Gryko, J.
1988-06-01
Molecular dynamics is used to study the chemical reaction A+A→B+B. It is shown that the reaction rate constant follows the Arrhenius law both for Lennard-Jones and hard sphere interaction potentials between substrate particles. A. For the denser systems the reaction rate is proportional to the value of the radial distribution function at the contact point of two hard spheres. 10 refs, 4 figs
Lee, Kyoung O; Holmes, Thomas W; Calderon, Adan F; Gardner, Robin P
2012-05-01
Using a Monte Carlo (MC) simulation, random walks were used for pebble tracking in a two-dimensional geometry in the presence of a biased gravity field. We investigated the effect of viscosity damping in the presence of random Gaussian fluctuations. The particle tracks were generated by Molecular Dynamics (MD) simulation for a Pebble Bed Reactor. The MD simulations were conducted in the interaction of noncohesive Hertz-Mindlin theory where the random walk MC simulation has a correlation with the MD simulation. This treatment can easily be extended to include the generation of transient gamma-ray spectra from a single pebble that contains a radioactive tracer. Then the inverse analysis thereof could be made to determine the uncertainty of the realistic measurement of transient positions of that pebble by any given radiation detection system designed for that purpose. Copyright Â© 2011 Elsevier Ltd. All rights reserved.
Fully resolved simulations of expansion waves propagating into particle beds
Marjanovic, Goran; Hackl, Jason; Annamalai, Subramanian; Jackson, Thomas; Balachandar, S.
2017-11-01
There is a tremendous amount of research that has been done on compression waves and shock waves moving over particles but very little concerning expansion waves. Using 3-D direct numerical simulations, this study will explore expansion waves propagating into fully resolved particle beds of varying volume fractions and geometric arrangements. The objectives of these simulations are as follows: 1) To fully resolve all (1-way coupled) forces on the particles in a time varying flow and 2) to verify state-of-the-art drag models for such complex flows. We will explore a range of volume fractions, from very low ones that are similar to single particle flows, to higher ones where nozzling effects are observed between neighboring particles. Further, we will explore two geometric arrangements: body centered cubic and face centered cubic. We will quantify the effects that volume fraction and geometric arrangement plays on the drag forces and flow fields experienced by the particles. These results will then be compared to theoretical predictions from a model based on the generalized Faxen's theorem. This work was supported in part by the U.S. Department of Energy under the Predictive Science Academic Alliance Program, under Contract No. DE-NA0002378.
Investigation of transient dynamics of capillary assisted particle assembly yield
Energy Technology Data Exchange (ETDEWEB)
Virganavičius, D. [Institute of Materials Science, Kaunas University of Technology, K. Baršausko St. 59, Kaunas LT-51423 (Lithuania); Laboratory of Micro- and Nanotechnology, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Juodėnas, M. [Institute of Materials Science, Kaunas University of Technology, K. Baršausko St. 59, Kaunas LT-51423 (Lithuania); Tamulevičius, T., E-mail: tomas.tamulevicius@ktu.lt [Institute of Materials Science, Kaunas University of Technology, K. Baršausko St. 59, Kaunas LT-51423 (Lithuania); Department of Physics, Kaunas University of Technology, Studentų St. 50, Kaunas LT-51368 (Lithuania); Schift, H. [Laboratory of Micro- and Nanotechnology, Paul Scherrer Institut, 5232 Villigen PSI (Switzerland); Tamulevičius, S. [Institute of Materials Science, Kaunas University of Technology, K. Baršausko St. 59, Kaunas LT-51423 (Lithuania); Department of Physics, Kaunas University of Technology, Studentų St. 50, Kaunas LT-51368 (Lithuania)
2017-06-01
Highlights: • Regular particles arrays were assembled by capillary force assisted deposition. • Deposition yield dynamics was investigated at different thermal velocity regimes. • Yield transient behavior was approximated with logistic function. • Pattern density influence for switching behavior was assessed. - Abstract: In this paper, the transient behavior of the particle assembly yield dynamics when switching from low yield to high yield deposition at different velocity and thermal regimes is investigated. Capillary force assisted particle assembly (CAPA) using colloidal suspension of green fluorescent 270 nm diameter polystyrene beads was performed on patterned poly (dimethyl siloxane) substrates using a custom-built deposition setup. Two types of patterns with different trapping site densities were used to assess CAPA process dynamics and the influence of pattern density and geometry on the deposition yield transitions. Closely packed 300 nm diameter circular pits ordered in hexagonal arrangement with 300 nm pitch, and 2 × 2 mm{sup 2} square pits with 2 μm spacing were used. 2-D regular structures of the deposited particles were investigated by means of optical fluorescence and scanning electron microscopy. The fluorescence micrographs were analyzed using a custom algorithm enabling to identify particles and calculate efficiency of the deposition performed at different regimes. Relationship between the spatial distribution of particles in transition zone and ambient conditions was evaluated and quantified by approximation of the yield profile with a logistic function.
Friction dependence of shallow granular flows from discrete particle simulations
Thornton, Anthony Richard; Weinhart, Thomas; Luding, Stefan; Bokhove, Onno
2011-01-01
A shallow-layer model for granular flows is completed with a closure relation for the macroscopic bed friction or basal roughness obtained from micro-scale discrete particle simulations of steady flows. We systematically vary the bed friction by changing the contact friction coefficient between
Water Flow Simulation using Smoothed Particle Hydrodynamics (SPH)
Vu, Bruce; Berg, Jared; Harris, Michael F.
2014-01-01
Simulation of water flow from the rainbird nozzles has been accomplished using the Smoothed Particle Hydrodynamics (SPH). The advantage of using SPH is that no meshing is required, thus the grid quality is no longer an issue and accuracy can be improved.
Simulating water hammer with corrective smoothed particle method
Hou, Q.; Kruisbrink, A.C.H.; Tijsseling, A.S.; Keramat, A.
2012-01-01
The corrective smoothed particle method (CSPM) is used to simulate water hammer. The spatial derivatives in the water-hammer equations are approximated by a corrective kernel estimate. For the temporal derivatives, the Euler-forward time integration algorithm is employed. The CSPM results are in
Advanced visualization technology for terascale particle accelerator simulations
International Nuclear Information System (INIS)
Ma, K-L; Schussman, G.; Wilson, B.; Ko, K.; Qiang, J.; Ryne, R.
2002-01-01
This paper presents two new hardware-assisted rendering techniques developed for interactive visualization of the terascale data generated from numerical modeling of next generation accelerator designs. The first technique, based on a hybrid rendering approach, makes possible interactive exploration of large-scale particle data from particle beam dynamics modeling. The second technique, based on a compact texture-enhanced representation, exploits the advanced features of commodity graphics cards to achieve perceptually effective visualization of the very dense and complex electromagnetic fields produced from the modeling of reflection and transmission properties of open structures in an accelerator design. Because of the collaborative nature of the overall accelerator modeling project, the visualization technology developed is for both desktop and remote visualization settings. We have tested the techniques using both time varying particle data sets containing up to one billion particle s per time step and electromagnetic field data sets with millions of mesh elements
Dirac particle in a box, and relativistic quantum Zeno dynamics
International Nuclear Information System (INIS)
Menon, Govind; Belyi, Sergey
2004-01-01
After developing a complete set of eigenfunctions for a Dirac particle restricted to a box, the quantum Zeno dynamics of a relativistic system is considered. The evolution of a continuously observed quantum mechanical system is governed by the theorem put forth by Misra and Sudarshan. One of the conditions for quantum Zeno dynamics to be manifest is that the Hamiltonian is semi-bounded. This Letter analyzes the effects of continuous observation of a particle whose time evolution is generated by the Dirac Hamiltonian. The theorem by Misra and Sudarshan is not applicable here since the Dirac operator is not semi-bounded
Dynamic modeling and simulation of wind turbines
International Nuclear Information System (INIS)
Ghafari Seadat, M.H.; Kheradmand Keysami, M.; Lari, H.R.
2002-01-01
Using wind energy for generating electricity in wind turbines is a good way for using renewable energies. It can also help to protect the environment. The main objective of this paper is dynamic modeling by energy method and simulation of a wind turbine aided by computer. In this paper, the equations of motion are extracted for simulating the system of wind turbine and then the behavior of the system become obvious by solving the equations. The turbine is considered with three blade rotor in wind direction, induced generator that is connected to the network and constant revolution for simulation of wind turbine. Every part of the wind turbine should be simulated for simulation of wind turbine. The main parts are blades, gearbox, shafts and generator
Object Oriented Modelling and Dynamical Simulation
DEFF Research Database (Denmark)
Wagner, Falko Jens; Poulsen, Mikael Zebbelin
1998-01-01
This report with appendix describes the work done in master project at DTU.The goal of the project was to develop a concept for simulation of dynamical systems based on object oriented methods.The result was a library of C++-classes, for use when both building componentbased models and when...
Molecular dynamics simulations and quantum chemical calculations ...
African Journals Online (AJOL)
Molecular dynamic simulation results indicate that the imidazoline derivative molecules uses the imidazoline ring to effectively adsorb on the surface of iron, with the alkyl hydrophobic tail forming an n shape (canopy like covering) at geometry optimization and at 353 K. The n shape canopy like covering to a large extent may ...
Generator dynamics in aeroelastic analysis and simulations
Energy Technology Data Exchange (ETDEWEB)
Larsen, T.J.; Hansen, M.H.; Iov, F.
2003-05-01
This report contains a description of a dynamic model for a doubly-fed induction generator implemented in the aeroelastic code HAWC. The model has physical input parameters (resistance, reactance etc.) and input variables (stator and rotor voltage and rotor speed). The model can be used to simulate the generator torque as well as the rotor and stator currents, active and reactive power. A perturbation method has been used to reduce the original generator model equations to a set of equations which can be solved with the same time steps as a typical aeroelastic code. The method is used to separate the fast transients of the model from the slow variations and deduce a reduced order expression for the slow part. Dynamic effects of the first order terms in the model as well as the influence on drive train eigenfrequencies and damping has been investigated. Load response during time simulation of wind turbine response have been compared to simulations with a linear static generator model originally implemented i HAWC. A 2 MW turbine has been modelled in the aeroelastic code HAWC. When using the new dynamic generator model there is an interesting coupling between the generator dynamics and a global turbine vibration mode at 4.5 Hz, which only occurs when a dynamic formulation of the generator equations is applied. This frequency can especially be seen in the electrical power of the generator and the rotational speed of the generator, but also as torque variations in the drive train. (au)
Impact of dynamic distribution of floc particles on flocculation effect
Institute of Scientific and Technical Information of China (English)
NAN Jun; HE Weipeng; Song Xinin; LI Guibai
2009-01-01
Polyaluminum chloride (PAC) was used as coagulant and suspended particles in kaolin water. Online instruments including turbidimeter and particle counter were used to monitor the flocculation process. An evaluation model for demonstrating the impact on the flocculation effect was established based on the multiple linear regression analysis method. The parameter of the index weight of channels quantitatively described how the variation of floc particle population in different size ranges cause the decrement of turbidity. The study showed that the floc particles in different size ranges contributed differently to the decrement of turbidity and that the index weight of channel could excellently indicate the impact degree of floc particles dynamic distribution on flocculation effect. Therefore, the parameter may significantly benefit the development of coagulation and sedimentation techniques as well as the optimal coagulant selection.
Dynamics of relativistic point particles as a problem with constraints
International Nuclear Information System (INIS)
Todorov, I.T.
1976-01-01
The relativistic n-particle dynamics is studied as a problem with constraints of the type (2phisub(i)=)msub(i)sup(2)-psub(i)sup(2)+PHIsub(i)=0, i=1,...,n, (C) where PHIsub(i) are Poincare invariant functions of the particles' coordinates, momenta and spin components; PHIsib(i) is assumed to vanish asymptotically when the i-th particle coordinates tend to infinity. In the two particle case it is assumed in addition that the Poisson bracket [phi 1 , phi 2 ] vanishes on the surface (C). That allows us to give a formulation of the theory, invariant with respect to the choice of the time-parameter on each trajectory. The quantization of the relative two-particle motion is also discussed. It is pointed out that the stationary Schrodinger equation obtained in this manner is a local quasipotential equation
Impact of dynamic distribution of floc particles on flocculation effect.
Nan, Jun; He, Weipeng; Song, Xinin; Li, Guibai
2009-01-01
Polyaluminum chloride (PAC) was used as coagulant and suspended particles in kaolin water. Online instruments including turbidimeter and particle counter were used to monitor the flocculation process. An evaluation model for demonstrating the impact on the flocculation effect was established based on the multiple linear regression analysis method. The parameter of the index weight of channels quantitatively described how the variation of floc particle population in different size ranges cause the decrement of turbidity. The study showed that the floc particles in different size ranges contributed differently to the decrease of turbidity and that the index weight of channel could excellently indicate the impact degree of floc particles dynamic distribution on flocculation effect. Therefore, the parameter may significantly benefit the development of coagulation and sedimentation techniques as well as the optimal coagulant selection.
Real-Time Simulation of Coaxial Rotor Configurations with Combined Finite State Dynamic Wake and VPM
Zhao, Jinggen; He, Chengjian
2017-01-01
This paper describes a first-principle based finite state dynamic rotor wake model that addresses the complex aerodynamic interference inherent to coaxial rotor configurations in support of advanced vertical lift aircraft simulation, design, and analysis. The high fidelity rotor dynamic wake solution combines an enhanced real-time finite state dynamic wake model (DYW) with a first-principle based viscous Vortex Particle Method (VPM). The finite state dynamic wake model provides a state-spa...
Multiple time-scale methods in particle simulations of plasmas
International Nuclear Information System (INIS)
Cohen, B.I.
1985-01-01
This paper surveys recent advances in the application of multiple time-scale methods to particle simulation of collective phenomena in plasmas. These methods dramatically improve the efficiency of simulating low-frequency kinetic behavior by allowing the use of a large timestep, while retaining accuracy. The numerical schemes surveyed provide selective damping of unwanted high-frequency waves and preserve numerical stability in a variety of physics models: electrostatic, magneto-inductive, Darwin and fully electromagnetic. The paper reviews hybrid simulation models, the implicitmoment-equation method, the direct implicit method, orbit averaging, and subcycling
Dynamic aspects of dislocation motion: atomistic simulations
International Nuclear Information System (INIS)
Bitzek, Erik; Gumbsch, Peter
2005-01-01
Atomistic simulations of accelerating edge and screw dislocations were carried out to study the dynamics of dislocations in a face centered cubic metal. Using two different embedded atom potentials for nickel and a simple slab geometry, the Peierls stress, the effective mass, the line tension and the drag coefficient were determined. A dislocation intersecting an array of voids is used to study dynamic effects in dislocation-obstacle interactions. A pronounced effect caused by inertial overshooting is found. A dynamic line tension model is developed which reproduces the simulation results. The model can be used to easily estimate the magnitude of inertial effects in the interaction of dislocations with localized obstacles for different obstacle strengths, -spacings and temperatures
Kinetics from Replica Exchange Molecular Dynamics Simulations.
Stelzl, Lukas S; Hummer, Gerhard
2017-08-08
Transitions between metastable states govern many fundamental processes in physics, chemistry and biology, from nucleation events in phase transitions to the folding of proteins. The free energy surfaces underlying these processes can be obtained from simulations using enhanced sampling methods. However, their altered dynamics makes kinetic and mechanistic information difficult or impossible to extract. Here, we show that, with replica exchange molecular dynamics (REMD), one can not only sample equilibrium properties but also extract kinetic information. For systems that strictly obey first-order kinetics, the procedure to extract rates is rigorous. For actual molecular systems whose long-time dynamics are captured by kinetic rate models, accurate rate coefficients can be determined from the statistics of the transitions between the metastable states at each replica temperature. We demonstrate the practical applicability of the procedure by constructing master equation (Markov state) models of peptide and RNA folding from REMD simulations.
Mathematical simulation of cascade-probabilistic functions for charged particles
International Nuclear Information System (INIS)
Kupchishin, A.A.; Kupchishin, A.I.; Smygaleva, T.A.
1998-01-01
Analytical expressions for cascade-probabilistic functions (CPF) for electrons, protons, α-particles and ions with taking into account energy losses are received. Mathematical analysis of these functions is carried out and main properties of function are determined. Algorithms of CPF are developed and their computer calculation were conducted. Regularities in behavior of function in dependence on initial particles energy, atomic number and registration depth are established. Book is intended to specialists on mathematical simulation of radiation defects, solid state physics, elementary particle physics and applied mathematics. There are 3 chapters in the book: 1. Cascade-probabilistic functions for electrons; 2. CPF for protons and α-particles; 3. CPF with taking unto account energy losses of ions. (author)
Parallel pic plasma simulation through particle decomposition techniques
International Nuclear Information System (INIS)
Briguglio, S.; Vlad, G.; Di Martino, B.; Naples, Univ. 'Federico II'
1998-02-01
Particle-in-cell (PIC) codes are among the major candidates to yield a satisfactory description of the detail of kinetic effects, such as the resonant wave-particle interaction, relevant in determining the transport mechanism in magnetically confined plasmas. A significant improvement of the simulation performance of such codes con be expected from parallelization, e.g., by distributing the particle population among several parallel processors. Parallelization of a hybrid magnetohydrodynamic-gyrokinetic code has been accomplished within the High Performance Fortran (HPF) framework, and tested on the IBM SP2 parallel system, using a 'particle decomposition' technique. The adopted technique requires a moderate effort in porting the code in parallel form and results in intrinsic load balancing and modest inter processor communication. The performance tests obtained confirm the hypothesis of high effectiveness of the strategy, if targeted towards moderately parallel architectures. Optimal use of resources is also discussed with reference to a specific physics problem [it
Numerical simulation of flow fields and particle trajectories
DEFF Research Database (Denmark)
Mayer, Stefan
2000-01-01
. The time-dependent flow is approximated with a continuous sequence of steady state creeping flow fields, where metachronously beating ciliary bands are modelled by linear combinations of singularity solutions to the Stokes equations. Generally, the computed flow fields can be divided into an unsteady......A model describing the ciliary driven flow and motion of suspended particles in downstream suspension feeders is developed. The quasi-steady Stokes equations for creeping flow are solved numerically in an unbounded fluid domain around cylindrical bodies using a boundary integral formulation...... in the simulated unsteady ciliary driven flow. A fraction of particles appear to follow trajectories, that resemble experimentally observed particle capture events in the downstream feeding system of the polycheate Sabella penicillus, indicating that particles can be captured by ciliary systems without mechanical...
Particle dynamics during electronic sputtering of solid krypton
DEFF Research Database (Denmark)
Dutkiewicz, L.; Pedrys, R.; Schou, Jørgen
1995-01-01
We have modeled electronic sputtering of solid krypton by excimer production with molecular dynamics. Both excimer evolution in the solid and deexcitation processes have been incorporated in the simulation. The excimer dynamics in the lattice has been analyzed: the excimers formed near the surface...
SELF-CONSISTENT LANGEVIN SIMULATION OF COULOMB COLLISIONS IN CHARGED-PARTICLE BEAMS
International Nuclear Information System (INIS)
QIANG, J.; RYNE, R.; HABIB, S.
2000-01-01
In many plasma physics and charged-particle beam dynamics problems, Coulomb collisions are modeled by a Fokker-Planck equation. In order to incorporate these collisions, we present a three-dimensional parallel Langevin simulation method using a Particle-In-Cell (PIC) approach implemented on high-performance parallel computers. We perform, for the first time, a fully self-consistent simulation, in which the FR-iction and diffusion coefficients are computed FR-om first principles. We employ a two-dimensional domain decomposition approach within a message passing programming paradigm along with dynamic load balancing. Object oriented programming is used to encapsulate details of the communication syntax as well as to enhance reusability and extensibility. Performance tests on the SGI Origin 2000 and the Cray T3E-900 have demonstrated good scalability. Work is in progress to apply our technique to intrabeam scattering in accelerators
Explicit symplectic algorithms based on generating functions for charged particle dynamics
Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan
2016-07-01
Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H (x ,p ) =pif (x ) or H (x ,p ) =xig (p ) . Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.
GROSS- GAMMA RAY OBSERVATORY ATTITUDE DYNAMICS SIMULATOR
Garrick, J.
1994-01-01
The Gamma Ray Observatory (GRO) spacecraft will constitute a major advance in gamma ray astronomy by offering the first opportunity for comprehensive observations in the range of 0.1 to 30,000 megaelectronvolts (MeV). The Gamma Ray Observatory Attitude Dynamics Simulator, GROSS, is designed to simulate this mission. The GRO Dynamics Simulator consists of three separate programs: the Standalone Profile Program; the Simulator Program, which contains the Simulation Control Input/Output (SCIO) Subsystem, the Truth Model (TM) Subsystem, and the Onboard Computer (OBC) Subsystem; and the Postprocessor Program. The Standalone Profile Program models the environment of the spacecraft and generates a profile data set for use by the simulator. This data set contains items such as individual external torques; GRO spacecraft, Tracking and Data Relay Satellite (TDRS), and solar and lunar ephemerides; and star data. The Standalone Profile Program is run before a simulation. The SCIO subsystem is the executive driver for the simulator. It accepts user input, initializes parameters, controls simulation, and generates output data files and simulation status display. The TM subsystem models the spacecraft dynamics, sensors, and actuators. It accepts ephemerides, star data, and environmental torques from the Standalone Profile Program. With these and actuator commands from the OBC subsystem, the TM subsystem propagates the current state of the spacecraft and generates sensor data for use by the OBC and SCIO subsystems. The OBC subsystem uses sensor data from the TM subsystem, a Kalman filter (for attitude determination), and control laws to compute actuator commands to the TM subsystem. The OBC subsystem also provides output data to the SCIO subsystem for output to the analysts. The Postprocessor Program is run after simulation is completed. It generates printer and CRT plots and tabular reports of the simulated data at the direction of the user. GROSS is written in FORTRAN 77 and
Single-asperity contributions to multi-asperity wear simulated with molecular dynamics
International Nuclear Information System (INIS)
Eder, S J; Cihak-Bayr, U; Bianchi, D
2016-01-01
We use a molecular dynamics approach to simulate the wear of a rough ferrite surface due to multiple hard, abrasive particles under variation of normal pressure, grinding direction, and particle geometry. By employing a clustering algorithm that incorporates some knowledge about the grinding process such as the main grinding direction, we can break down the total wear volume into contributions from the individual abrasive particles in a time-resolved fashion. The resulting analysis of the simulated grinding process allows statements on wear particle generation, distribution, and stability depending on the initial topography, the grinding angle, the normal pressure, as well as the abrasive shape and orientation with respect to the surface. (paper)
Impact of detector simulation in particle physics collider experiments
Daniel Elvira, V.
2017-06-01
Through the last three decades, accurate simulation of the interactions of particles with matter and modeling of detector geometries has proven to be of critical importance to the success of the international high-energy physics (HEP) experimental programs. For example, the detailed detector modeling and accurate physics of the Geant4-based simulation software of the CMS and ATLAS particle physics experiments at the European Center of Nuclear Research (CERN) Large Hadron Collider (LHC) was a determinant factor for these collaborations to deliver physics results of outstanding quality faster than any hadron collider experiment ever before. This review article highlights the impact of detector simulation on particle physics collider experiments. It presents numerous examples of the use of simulation, from detector design and optimization, through software and computing development and testing, to cases where the use of simulation samples made a difference in the precision of the physics results and publication turnaround, from data-taking to submission. It also presents estimates of the cost and economic impact of simulation in the CMS experiment. Future experiments will collect orders of magnitude more data with increasingly complex detectors, taxing heavily the performance of simulation and reconstruction software. Consequently, exploring solutions to speed up simulation and reconstruction software to satisfy the growing demand of computing resources in a time of flat budgets is a matter that deserves immediate attention. The article ends with a short discussion on the potential solutions that are being considered, based on leveraging core count growth in multicore machines, using new generation coprocessors, and re-engineering HEP code for concurrency and parallel computing.
Koester, Martin; García, R Edwin; Thommes, Markus
2014-12-30
Spheronization is an important pharmaceutical manufacturing technique to produce spherical agglomerates of 0.5-2mm diameter. These pellets have a narrow size distribution and a spherical shape. During the spheronization process, the extruded cylindrical strands break in short cylinders and evolve from a cylindrical to a spherical state by deformation and attrition/agglomeration mechanisms. Using the discrete element method, an integrated modeling-experimental framework is presented, that captures the particle motion during the spheronization process. Simulations were directly compared and validated against particle image velocimetry (PIV) experiments with monodisperse spherical and dry γ-Al2O3 particles. demonstrate a characteristic torus like flow pattern, with particle velocities about three times slower than the rotation speed of the friction plate. Five characteristic zones controlling the spheronization process are identified: Zone I, where particles undergo shear forces that favors attrition and contributes material to the agglomeration process; Zone II, where the static wall contributes to the mass exchange between particles; Zone III, where gravitational forces combined with particle motion induce particles to collide with the moving plate and re-enter Zone I; Zone IV, where a subpopulation of particles are ejected into the air when in contact with the friction plate structure; and Zone V where the low poloidal velocity favors a stagnant particle population and is entirely controlled by the batch size. These new insights in to the particle motion are leading to deeper process understanding, e.g., the effect of load and rotation speed to the pellet formation kinetics. This could be beneficial for the optimization of a manufacturing process as well as for the development of new formulations. Copyright © 2014 Elsevier B.V. All rights reserved.
Engineering dynamics from the Lagrangian to simulation
Gans, Roger F
2013-01-01
This engineering dynamics textbook is aimed at beginning graduate students in mechanical engineering and other related engineering disciplines who need training in dynamics as applied to engineering mechanisms. It introduces the formal mathematical development of Lagrangian mechanics (and its corollaries), while solving numerous engineering applications. The author’s goal is to instill an understanding of the basic physics required for engineering dynamics, while providing a recipe (algorithm) for the simulation of engineering mechanisms such as robots. The book is reasonably self-contained so that the practicing engineer interested in this area can also make use of it. This book is made accessible to the widest possible audience by numerous, solved examples and diagrams that apply the principles to real engineering applications. • Provides an applied textbook for intermediate/advanced engineering dynamics courses; • Discusses Lagrangian mechanics in the context of numerous engineering applications...
Dynamics and Thermodynamics of Transthyretin Association from Molecular Dynamics Simulations
Directory of Open Access Journals (Sweden)
Cedrix J. Dongmo Foumthuim
2018-01-01
Full Text Available Molecular dynamics simulations are used in this work to probe the structural stability and the dynamics of engineered mutants of transthyretin (TTR, i.e., the double mutant F87M/L110M (MT-TTR and the triple mutant F87M/L110M/S117E (3M-TTR, in relation to wild-type. Free energy analysis from end-point simulations and statistical effective energy functions are used to analyze trajectories, revealing that mutations do not have major impact on protein structure but rather on protein association, shifting the equilibria towards dissociated species. The result is confirmed by the analysis of 3M-TTR which shows dissociation within the first 10 ns of the simulation, indicating that contacts are lost at the dimer-dimer interface, whereas dimers (formed by monomers which pair to form two extended β-sheets appear fairly stable. Overall the simulations provide a detailed view of the dynamics and thermodynamics of wild-type and mutant transthyretins and a rationale of the observed effects.
Huge-scale molecular dynamics simulation of multibubble nuclei
Watanabe, Hiroshi
2013-12-01
We have developed molecular dynamics codes for a short-range interaction potential that adopt both the flat-MPI and MPI/OpenMP hybrid parallelizations on the basis of a full domain decomposition strategy. Benchmark simulations involving up to 38.4 billion Lennard-Jones particles were performed on Fujitsu PRIMEHPC FX10, consisting of 4800 SPARC64 IXfx 1.848 GHz processors, at the Information Technology Center of the University of Tokyo, and a performance of 193 teraflops was achieved, which corresponds to a 17.0% execution efficiency. Cavitation processes were also simulated on PRIMEHPC FX10 and SGI Altix ICE 8400EX at the Institute of Solid State Physics of the University of Tokyo, which involved 1.45 billion and 22.9 million particles, respectively. Ostwald-like ripening was observed after the multibubble nuclei. Our results demonstrate that direct simulations of multiscale phenomena involving phase transitions from the atomic scale are possible and that the molecular dynamics method is a promising method that can be applied to petascale computers. © 2013 Elsevier B.V. All rights reserved.
High viscosity fluid simulation using particle-based method
Chang, Yuanzhang
2011-03-01
We present a new particle-based method for high viscosity fluid simulation. In the method, a new elastic stress term, which is derived from a modified form of the Hooke\\'s law, is included in the traditional Navier-Stokes equation to simulate the movements of the high viscosity fluids. Benefiting from the Lagrangian nature of Smoothed Particle Hydrodynamics method, large flow deformation can be well handled easily and naturally. In addition, in order to eliminate the particle deficiency problem near the boundary, ghost particles are employed to enforce the solid boundary condition. Compared with Finite Element Methods with complicated and time-consuming remeshing operations, our method is much more straightforward to implement. Moreover, our method doesn\\'t need to store and compare to an initial rest state. The experimental results show that the proposed method is effective and efficient to handle the movements of highly viscous flows, and a large variety of different kinds of fluid behaviors can be well simulated by adjusting just one parameter. © 2011 IEEE.
PART 2: LARGE PARTICLE MODELLING Simulation of particle filtration processes in deformable media
Directory of Open Access Journals (Sweden)
Gernot Boiger
2008-06-01
Full Text Available In filtration processes it is necessary to consider both, the interaction of thefluid with the solid parts as well as the effect of particles carried in the fluidand accumulated on the solid. While part 1 of this paper deals with themodelling of fluid structure interaction effects, the accumulation of dirtparticles will be addressed in this paper. A closer look is taken on theimplementation of a spherical, LAGRANGIAN particle model suitable forsmall and large particles. As dirt accumulates in the fluid stream, it interactswith the surrounding filter fibre structure and over time causes modificationsof the filter characteristics. The calculation of particle force interactioneffects is necessary for an adequate simulation of this situation. A detailedDiscrete Phase Lagrange Model was developed to take into account thetwo-way coupling of the fluid and accumulated particles. The simulation oflarge particles and the fluid-structure interaction is realised in a single finitevolume flow solver on the basis of the OpenSource software OpenFoam.
Investigations of Solar Prominence Dynamics Using Laboratory Simulations
International Nuclear Information System (INIS)
Bellan, Paul M.
2008-01-01
Laboratory experiments simulating many of the dynamical features of solar coronal loops have been carried out. These experiments manifest collimation, kinking, jet flows, and S-shapes. Diagnostics include high-speed photography and x-ray detectors. Two loops having opposite or the same magnetic helicity polarities have been merged and it is found that counter-helicity merging provides much greater x-ray emission. A non-MHD particle orbit instability has been discovered whereby ions going in the opposite direction of the current flow direction can be ejected from a magnetic flux tube.
Steady-state and dynamic models for particle engulfment during solidification
Tao, Yutao; Yeckel, Andrew; Derby, Jeffrey J.
2016-06-01
Steady-state and dynamic models are developed to study the physical mechanisms that determine the pushing or engulfment of a solid particle at a moving solid-liquid interface. The mathematical model formulation rigorously accounts for energy and momentum conservation, while faithfully representing the interfacial phenomena affecting solidification phase change and particle motion. A numerical solution approach is developed using the Galerkin finite element method and elliptic mesh generation in an arbitrary Lagrangian-Eulerian implementation, thus allowing for a rigorous representation of forces and dynamics previously inaccessible by approaches using analytical approximations. We demonstrate that this model accurately computes the solidification interface shape while simultaneously resolving thin fluid layers around the particle that arise from premelting during particle engulfment. We reinterpret the significance of premelting via the definition an unambiguous critical velocity for engulfment from steady-state analysis and bifurcation theory. We also explore the complicated transient behaviors that underlie the steady states of this system and posit the significance of dynamical behavior on engulfment events for many systems. We critically examine the onset of engulfment by comparing our computational predictions to those obtained using the analytical model of Rempel and Worster [29]. We assert that, while the accurate calculation of van der Waals repulsive forces remains an open issue, the computational model developed here provides a clear benefit over prior models for computing particle drag forces and other phenomena needed for the faithful simulation of particle engulfment.
On the relativistic particle dynamics in external gravitational fields
International Nuclear Information System (INIS)
Kuz'menkov, L.S.; Naumov, N.D.
1977-01-01
On the base of the Riemann metrics of an event space, leading to the Newton mechanics at nonrelativistic velocities and not obligatory weak gravitational fields relativistic particle dynamics in external gravitation fields has been considered. Found are trajectories, motion laws and light ray equations for the homogeneous and Newton fields
Peculiarity of the charged particles dynamics at the cyclotron resonances
International Nuclear Information System (INIS)
Buts, V.A.; Kuzmin, V.V.; Tolstoluzhsky, A.P.
2016-01-01
In this work the analysis was provided of the discrepancy between thresholds for appearance of the chaotic regime in the conditions of cyclotron resonances, obtained by analytical consideration of the particle dynamics, on the one hand, and by numerical investigation, on the other hand. The explanation is given for these threshold discrepancies.
Physical dynamics of quasi-particles in nonlinear wave equations
Energy Technology Data Exchange (ETDEWEB)
Christov, Ivan [Department of Mathematics, Texas A and M University, College Station, TX 77843-3368 (United States)], E-mail: christov@alum.mit.edu; Christov, C.I. [Department of Mathematics, University of Louisiana at Lafayette, Lafayette, LA 70504-1010 (United States)], E-mail: christov@louisiana.edu
2008-02-04
By treating the centers of solitons as point particles and studying their discrete dynamics, we demonstrate a new approach to the quantization of the soliton solutions of the sine-Gordon equation, one of the first model nonlinear field equations. In particular, we show that a linear superposition of the non-interacting shapes of two solitons offers a qualitative (and to a good approximation quantitative) description of the true two-soliton solution, provided that the trajectories of the centers of the superimposed solitons are considered unknown. Via variational calculus, we establish that the dynamics of the quasi-particles obey a pseudo-Newtonian law, which includes cross-mass terms. The successful identification of the governing equations of the (discrete) quasi-particles from the (continuous) field equation shows that the proposed approach provides a basis for the passage from the continuous to a discrete description of the field.
Physical dynamics of quasi-particles in nonlinear wave equations
International Nuclear Information System (INIS)
Christov, Ivan; Christov, C.I.
2008-01-01
By treating the centers of solitons as point particles and studying their discrete dynamics, we demonstrate a new approach to the quantization of the soliton solutions of the sine-Gordon equation, one of the first model nonlinear field equations. In particular, we show that a linear superposition of the non-interacting shapes of two solitons offers a qualitative (and to a good approximation quantitative) description of the true two-soliton solution, provided that the trajectories of the centers of the superimposed solitons are considered unknown. Via variational calculus, we establish that the dynamics of the quasi-particles obey a pseudo-Newtonian law, which includes cross-mass terms. The successful identification of the governing equations of the (discrete) quasi-particles from the (continuous) field equation shows that the proposed approach provides a basis for the passage from the continuous to a discrete description of the field
Particle tracking in sophisticated CAD models for simulation purposes
International Nuclear Information System (INIS)
Sulkimo, J.; Vuoskoski, J.
1995-01-01
The transfer of physics detector models from computer aided design systems to physics simulation packages like GEANT suffers from certain limitations. In addition, GEANT is not able to perform particle tracking in CAD models. We describe an application which is able to perform particle tracking in boundary models constructed in CAD systems. The transfer file format used is the new international standard, STEP. The design and implementation of the application was carried out using object-oriented techniques. It will be integrated in the future object-oriented version of GEANT. (orig.)
Particle tracking in sophisticated CAD models for simulation purposes
Sulkimo, J.; Vuoskoski, J.
1996-02-01
The transfer of physics detector models from computer aided design systems to physics simulation packages like GEANT suffers from certain limitations. In addition, GEANT is not able to perform particle tracking in CAD models. We describe an application which is able to perform particle tracking in boundary models constructed in CAD systems. The transfer file format used is the new international standard, STEP. The design and implementation of the application was carried out using object-oriented techniques. It will be integrated in the future object-oriented version of GEANT.
Optimized Loading for Particle-in-cell Gyrokinetic Simulations
International Nuclear Information System (INIS)
Lewandowski, J.L.V.
2004-01-01
The problem of particle loading in particle-in-cell gyrokinetic simulations is addressed using a quadratic optimization algorithm. Optimized loading in configuration space dramatically reduces the short wavelength modes in the electrostatic potential that are partly responsible for the non-conservation of total energy; further, the long wavelength modes are resolved with good accuracy. As a result, the conservation of energy for the optimized loading is much better that the conservation of energy for the random loading. The method is valid for any geometry and can be coupled to optimization algorithms in velocity space
Value for money in particle-mesh plasma simulations
International Nuclear Information System (INIS)
Eastwood, J.W.
1976-01-01
The established particle-mesh method of simulating a collisionless plasma is discussed. Problems are outlined, and it is stated that given constraints on mesh size and particle number, the only way to adjust the compromise between dispersive forces, collision time and heating time is by altering the force calculating cycle. In 'value for money', schemes, matching of parts of the force calculation cycle is optimized. Interparticle forces are considered. Optimized combinations of elements of the force calculation cycle are compared. Following sections cover the dispersion relation, and comparisons with other schemes. (U.K.)
Vectorization of a particle simulation method for hypersonic rarefied flow
Mcdonald, Jeffrey D.; Baganoff, Donald
1988-01-01
An efficient particle simulation technique for hypersonic rarefied flows is presented at an algorithmic and implementation level. The implementation is for a vector computer architecture, specifically the Cray-2. The method models an ideal diatomic Maxwell molecule with three translational and two rotational degrees of freedom. Algorithms are designed specifically for compatibility with fine grain parallelism by reducing the number of data dependencies in the computation. By insisting on this compatibility, the method is capable of performing simulation on a much larger scale than previously possible. A two-dimensional simulation of supersonic flow over a wedge is carried out for the near-continuum limit where the gas is in equilibrium and the ideal solution can be used as a check on the accuracy of the gas model employed in the method. Also, a three-dimensional, Mach 8, rarefied flow about a finite-span flat plate at a 45 degree angle of attack was simulated. It utilized over 10 to the 7th particles carried through 400 discrete time steps in less than one hour of Cray-2 CPU time. This problem was chosen to exhibit the capability of the method in handling a large number of particles and a true three-dimensional geometry.
Particle in cell simulation of peaking switch for breakdown evaluation
Energy Technology Data Exchange (ETDEWEB)
Umbarkar, Sachin B.; Bindu, S.; Mangalvedekar, H.A.; Saxena, A.; Singh, N.M., E-mail: sachin.b.umbarkar@gmail.com [Department of Electric Engineering, Veermata Jijabai Technological Institute, Mumbai (India); Sharma, Archana; Saroj, P.C.; Mittal, K.C. [Accelerator Pulse Power Division, Bhabha Atomic Research Centre, Mumbai (India)
2014-07-01
Marx generator connected to peaking capacitor and peaking switch can generate Ultra-Wideband (UWB) radiation. A new peaking switch is designed for converting the existing nanosecond Marx generator to a UWB source. The paper explains the particle in cell (PIC) simulation for this peaking switch, using MAGIC 3D software. This peaking switch electrode is made up of copper tungsten material and is fixed inside the hermitically sealed derlin material. The switch can withstand a gas pressure up to 13.5 kg/cm{sup 2}. The lower electrode of the switch is connected to the last stage of the Marx generator. Initially Marx generator (without peaking stage) in air; gives the output pulse with peak amplitude of 113.75 kV and pulse rise time of 25 ns. Thus, we design a new peaking switch to improve the rise time of output pulse and to pressurize this peaking switch separately (i.e. Marx and peaking switch is at different pressure). The PIC simulation gives the particle charge density, current density, E counter plot, emitted electron current, and particle energy along the axis of gap between electrodes. The charge injection and electric field dependence on ionic dissociation phenomenon are briefly analyzed using this simulation. The model is simulated with different gases (N{sub 2}, H{sub 2}, and Air) under different pressure (2 kg/cm{sup 2}, 5 kg/cm{sup 2}, 10 kg/cm{sup 2}). (author)
Vectorization of a particle simulation method for hypersonic rarefied flow
International Nuclear Information System (INIS)
Mcdonald, J.D.; Baganoff, D.
1988-01-01
An efficient particle simulation technique for hypersonic rarefied flows is presented at an algorithmic and implementation level. The implementation is for a vector computer architecture, specifically the Cray-2. The method models an ideal diatomic Maxwell molecule with three translational and two rotational degrees of freedom. Algorithms are designed specifically for compatibility with fine grain parallelism by reducing the number of data dependencies in the computation. By insisting on this compatibility, the method is capable of performing simulation on a much larger scale than previously possible. A two-dimensional simulation of supersonic flow over a wedge is carried out for the near-continuum limit where the gas is in equilibrium and the ideal solution can be used as a check on the accuracy of the gas model employed in the method. Also, a three-dimensional, Mach 8, rarefied flow about a finite-span flat plate at a 45 degree angle of attack was simulated. It utilized over 10 to the 7th particles carried through 400 discrete time steps in less than one hour of Cray-2 CPU time. This problem was chosen to exhibit the capability of the method in handling a large number of particles and a true three-dimensional geometry. 14 references
Dynamics of Small Inertia-Free Spheroidal Particles in a Turbulent Channel Flow
Challabotla, Niranjan Reddy; Zhao, Lihao; Andersson, Helge I.; Department of Energy; Process Engineering Team
2015-11-01
The study of small non-spherical particles suspended in turbulent fluid flows is of interest in view of the potential applications in industry and the environment. In the present work, we investigated the dynamics of inertia-free spheroidal particles suspended in fully-developed turbulent channel flow at Re τ = 180 by using the direct numerical simulations (DNS) for the Eulerian fluid phase coupled with the Lagrangian point-particle tracking. We considered inertia-free spheroidal particles with a wide range of aspect ratios from 0.01 to 50, i.e. from flat disks to long rods. Although the spheroids passively translate along with the fluid, the particle orientation and rotation strongly depend on the particle shape. The flattest disks were preferentially aligned with their symmetry axis normal to the wall, whereas the longest rods aligned parallel to the wall. Strong mean rotational spin was observed for spherical particles and this has been damped with increasing asphericity both for rod-like and disk-like spheroids. The anisotropic mean and fluctuating fluid vorticity resulted in particle spin anisotropies which exhibited a complex dependence on the particle asphericty. The Research Council of Norway, Notur and COST Action FP1005 are gratefully acknowledged.
Influence of lubrication forces in direct numerical simulations of particle-laden flows
Maitri, Rohit; Peters, Frank; Padding, Johan; Kuipers, Hans
2016-11-01
Accurate numerical representation of particle-laden flows is important for fundamental understanding and optimizing the complex processes such as proppant transport in fracking. Liquid-solid flows are fundamentally different from gas-solid flows because of lower density ratios (solid to fluid) and non-negligible lubrication forces. In this interface resolved model, fluid-solid coupling is achieved by incorporating the no-slip boundary condition implicitly at particle's surfaces by means of an efficient second order ghost-cell immersed boundary method. A fixed Eulerian grid is used for solving the Navier-Stokes equations and the particle-particle interactions are implemented using the soft sphere collision and sub-grid scale lubrication model. Due to the range of influence of lubrication force on a smaller scale than the grid size, it is important to implement the lubrication model accurately. In this work, different implementations of the lubrication model on particle dynamics are studied for various flow conditions. The effect of a particle surface roughness on lubrication force and the particle transport is also investigated. This study is aimed at developing a validated methodology to incorporate lubrication models in direct numerical simulation of particle laden flows. This research is supported from Grant 13CSER014 of the Foundation for Fundamental Research on Matter (FOM), which is part of the Netherlands Organisation for Scientific Research (NWO).
Influence of Dissipative Particle Dynamics parameters and wall models on planar micro-channel flows
Wang, Yuyi; She, Jiangwei; Zhou, Zhe-Wei; microflow Group Team
2017-11-01
Dissipative Particle Dynamics (DPD) is a very effective approach in simulating mesoscale hydrodynamics. The influence of solid boundaries and DPD parameters are typically very strong in DPD simulations. The present work studies a micro-channel Poisseuille flow. Taking the neutron scattering experiment and molecular dynamics simulation result as bench mark, the DPD results of density distribution and velocity profile are systematically studied. The influence of different levels of coarse-graining, the number densities of wall and fluid, conservative force coefficients, random and dissipative force coefficients, different wall model and reflective boundary conditions are discussed. Some mechanisms behind such influences are discussed and the artifacts in the simulation are identified with the bench mark. Chinese natural science foundation (A020405).
Integration of Heat Transfer, Stress, and Particle Trajectory Simulation
Energy Technology Data Exchange (ETDEWEB)
Thuc Bui; Michael Read; Lawrence ives
2012-05-17
Calabazas Creek Research, Inc. developed and currently markets Beam Optics Analyzer (BOA) in the United States and abroad. BOA is a 3D, charged particle optics code that solves the electric and magnetic fields with and without the presence of particles. It includes automatic and adaptive meshing to resolve spatial scales ranging from a few millimeters to meters. It is fully integrated with CAD packages, such as SolidWorks, allowing seamless geometry updates. The code includes iterative procedures for optimization, including a fully functional, graphical user interface. Recently, time dependent, particle in cell capability was added, pushing particles synchronically under quasistatic electromagnetic fields to obtain particle bunching under RF conditions. A heat transfer solver was added during this Phase I program. Completed tasks include: (1) Added a 3D finite element heat transfer solver with adaptivity; (2) Determined the accuracy of the linear heat transfer field solver to provide the basis for development of higher order solvers in Phase II; (3) Provided more accurate and smoother power density fields; and (4) Defined the geometry using the same CAD model, while maintaining different meshes, and interfacing the power density field between the particle simulator and heat transfer solvers. These objectives were achieved using modern programming techniques and algorithms. All programming was in C++ and parallelization in OpenMP, utilizing state-of-the-art multi-core technology. Both x86 and x64 versions are supported. The GUI design and implementation used Microsoft Foundation Class.
Dynamic Simulator for Nuclear Power Plants (DSNP)
International Nuclear Information System (INIS)
Saphier, D.
1976-01-01
A new simulation language DSNP (Dynamic Simulator for Nuclear Power Plants) is being developed. It is a simple block oriented simulation language with an extensive library of component and auxiliary modules. Each module is a self-contained unit of a part of a physical component to be found in nuclear power plants. Each module will be available in four levels of sophistication, the fourth being a user supplied model. A module can be included in the simulation by a single statement. The precompiler translates DSNP statements into FORTRAN statements, takes care of the module parameters and the intermodular communication blocks, prepares proper data files and I/0 statements and searches the various libraries for the appropriate component modules. The documentation is computerized and all the necessary information for a particular module can be retrieved by a special document generator. The DSNP will be a flexible tool which will allow dynamic simulations to be performed on a large variety of nuclear power plants or specific components of these plants
Dynamic bounds coupled with Monte Carlo simulations
Energy Technology Data Exchange (ETDEWEB)
Rajabalinejad, M., E-mail: M.Rajabalinejad@tudelft.n [Faculty of Civil Engineering, Delft University of Technology, Delft (Netherlands); Meester, L.E. [Delft Institute of Applied Mathematics, Delft University of Technology, Delft (Netherlands); Gelder, P.H.A.J.M. van; Vrijling, J.K. [Faculty of Civil Engineering, Delft University of Technology, Delft (Netherlands)
2011-02-15
For the reliability analysis of engineering structures a variety of methods is known, of which Monte Carlo (MC) simulation is widely considered to be among the most robust and most generally applicable. To reduce simulation cost of the MC method, variance reduction methods are applied. This paper describes a method to reduce the simulation cost even further, while retaining the accuracy of Monte Carlo, by taking into account widely present monotonicity. For models exhibiting monotonic (decreasing or increasing) behavior, dynamic bounds (DB) are defined, which in a coupled Monte Carlo simulation are updated dynamically, resulting in a failure probability estimate, as well as a strict (non-probabilistic) upper and lower bounds. Accurate results are obtained at a much lower cost than an equivalent ordinary Monte Carlo simulation. In a two-dimensional and a four-dimensional numerical example, the cost reduction factors are 130 and 9, respectively, where the relative error is smaller than 5%. At higher accuracy levels, this factor increases, though this effect is expected to be smaller with increasing dimension. To show the application of DB method to real world problems, it is applied to a complex finite element model of a flood wall in New Orleans.
Lipid Configurations from Molecular Dynamics Simulations
DEFF Research Database (Denmark)
Pezeshkian, Weria; Khandelia, Himanshu; Marsh, Derek
2018-01-01
of dihedral angles in palmitoyl-oleoyl phosphatidylcholine from molecular dynamics simulations of hydrated fluid bilayer membranes. We compare results from the widely used lipid force field of Berger et al. with those from the most recent C36 release of the CHARMM force field for lipids. Only the CHARMM force......The extent to which current force fields faithfully reproduce conformational properties of lipids in bilayer membranes, and whether these reflect the structural principles established for phospholipids in bilayer crystals, are central to biomembrane simulations. We determine the distribution...
Description of the grout system dynamic simulation
International Nuclear Information System (INIS)
Zimmerman, B.D.
1993-07-01
The grout system dynamic computer simulation was created to allow investigation of the ability of the grouting system to meet established milestones, for various assumed system configurations and parameters. The simulation simulates the movement of tank waste through the system versus time, from initial storage tanks, through feed tanks and the grout plant, then finally to a grout vault. The simulation properly accounts for the following (1) time required to perform various actions or processes, (2) delays involved in gaining regulatory approval, (3) random system component failures, (4) limitations on equipment capacities, (5) available parallel components, and (6) different possible strategies for vault filling. The user is allowed to set a variety of system parameters for each simulation run. Currently, the output of a run primarily consists of a plot of projected grouting campaigns completed versus time, for comparison with milestones. Other outputs involving any model component can also be quickly created or deleted as desired. In particular, sensitivity runs where the effect of varying a model parameter (flow rates, delay times, number of feed tanks available, etc.) on the ability of the system to meet milestones can be made easily. The grout system simulation was implemented using the ITHINK* simulation language for Macintosh** computers
A New Class of Particle Filters for Random Dynamic Systems with Unknown Statistics
Directory of Open Access Journals (Sweden)
Joaquín Míguez
2004-11-01
Full Text Available In recent years, particle filtering has become a powerful tool for tracking signals and time-varying parameters of random dynamic systems. These methods require a mathematical representation of the dynamics of the system evolution, together with assumptions of probabilistic models. In this paper, we present a new class of particle filtering methods that do not assume explicit mathematical forms of the probability distributions of the noise in the system. As a consequence, the proposed techniques are simpler, more robust, and more flexible than standard particle filters. Apart from the theoretical development of specific methods in the new class, we provide computer simulation results that demonstrate the performance of the algorithms in the problem of autonomous positioning of a vehicle in a 2-dimensional space.
DEM simulation of particle mixing for optimizing the overcoating drum in HTR fuel fabrication
Liu, Malin; Lu, Zhengming; Liu, Bing; Shao, Youlin
2013-06-01
The rotating drum was used for overcoating coated fuel particles in HTR fuel fabrication process. All the coated particles should be adhered to equal amount of graphite powder, which means that the particle should be mixed quickly in both radial and axial directions. This paper investigated the particle flow dynamics and mixing behavior in different regimes using the discrete element method (DEM). By varying the rotation speed, different flow regimes such as slumping, rolling, cascading, cataracting, centrifuging were produced. The mixing entropy based on radial and axial grid was introduced to describe the radial and axial mixing behaviors. From simulation results, it was found that the radial mixing can be achieved in the cascading regime more quickly than the slumping, rolling and centrifuging regimes, but the traditional rotating drum without internal components can not achieve the requirements of axial mixing and should be improved. Three different structures of internal components are proposed and simulated. The new V-shaped deflectors were found to achieve a quick axial mixing behavior and uniform axial distribution in the rotating drum based on simulation results. At last, the superiority was validated by experimental results, and the new V-shaped deflectors were used in the industrial production of the overcoating coated fuel particles in HTR fuel fabrication process.
Dissipative particle dynamics of diffusion-NMR requires high Schmidt-numbers
Energy Technology Data Exchange (ETDEWEB)
Azhar, Mueed; Greiner, Andreas [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Korvink, Jan G., E-mail: jan.korvink@kit.edu, E-mail: david.kauzlaric@imtek.uni-freiburg.de [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Department of Microstructure Technology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, Eggenstein-Leopoldshafen (Germany); Kauzlarić, David, E-mail: jan.korvink@kit.edu, E-mail: david.kauzlaric@imtek.uni-freiburg.de [Laboratory for Simulation, Department of Microsystems Engineering (IMTEK), University of Freiburg, Georges-Köhler-Allee 103, 79110 Freiburg (Germany); Freiburg Institute for Advanced Studies, University of Freiburg, Albertstr. 19, 79104 Freiburg (Germany)
2016-06-28
We present an efficient mesoscale model to simulate the diffusion measurement with nuclear magnetic resonance (NMR). On the level of mesoscopic thermal motion of fluid particles, we couple the Bloch equations with dissipative particle dynamics (DPD). Thereby we establish a physically consistent scaling relation between the diffusion constant measured for DPD-particles and the diffusion constant of a real fluid. The latter is based on a splitting into a centre-of-mass contribution represented by DPD, and an internal contribution which is not resolved in the DPD-level of description. As a consequence, simulating the centre-of-mass contribution with DPD requires high Schmidt numbers. After a verification for fundamental pulse sequences, we apply the NMR-DPD method to NMR diffusion measurements of anisotropic fluids, and of fluids restricted by walls of microfluidic channels. For the latter, the free diffusion and the localisation regime are considered.
Wavenumber spectrum of whistler turbulence: Particle-in-cell simulation
International Nuclear Information System (INIS)
Saito, S.; Gary, S. Peter; Narita, Y.
2010-01-01
The forward cascade of decaying whistler turbulence is studied in low beta plasma to understand essential properties of the energy spectrum at electron scales, by using a two-dimensional electromagnetic particle-in-cell (PIC) simulation. This simulation demonstrates turbulence in which the energy cascade rate is greater than the dissipation rate at the electron inertial length. The PIC simulation shows that the magnetic energy spectrum of forward-cascaded whistler turbulence at electron inertial scales is anisotropic and develops a very steep power-law spectrum which is consistent with recent solar wind observations. A comparison of the simulated spectrum with that predicted by a phenomenological turbulence scaling model suggests that the energy cascade at the electron inertial scale depends on both magnetic fluctuations and electron velocity fluctuations, as well as on the whistler dispersion relation. Thus, not only kinetic Alfven turbulence but also whistler turbulence may explain recent solar wind observations of very steep magnetic spectra at short scales.
Hydration dynamics in water clusters via quantum molecular dynamics simulations
Energy Technology Data Exchange (ETDEWEB)
Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, Budapest 112, P. O. Box 32, H-1518 (Hungary)
2014-05-28
We have investigated the hydration dynamics in size selected water clusters with n = 66, 104, 200, 500, and 1000 water molecules using molecular dynamics simulations. To study the most fundamental aspects of relaxation phenomena in clusters, we choose one of the simplest, still realistic, quantum mechanically treated test solute, an excess electron. The project focuses on the time evolution of the clusters following two processes, electron attachment to neutral equilibrated water clusters and electron detachment from an equilibrated water cluster anion. The relaxation dynamics is significantly different in the two processes, most notably restoring the equilibrium final state is less effective after electron attachment. Nevertheless, in both scenarios only minor cluster size dependence is observed. Significantly different relaxation patterns characterize electron detachment for interior and surface state clusters, interior state clusters relaxing significantly faster. This observation may indicate a potential way to distinguish surface state and interior state water cluster anion isomers experimentally. A comparison of equilibrium and non-equilibrium trajectories suggests that linear response theory breaks down for electron attachment at 200 K, but the results converge to reasonable agreement at higher temperatures. Relaxation following electron detachment clearly belongs to the linear regime. Cluster relaxation was also investigated using two different computational models, one preferring cavity type interior states for the excess electron in bulk water, while the other simulating non-cavity structure. While the cavity model predicts appearance of several different hydrated electron isomers in agreement with experiment, the non-cavity model locates only cluster anions with interior excess electron distribution. The present simulations show that surface isomers computed with the cavity predicting potential show similar dynamical behavior to the interior clusters of
ESF collection effectiveness, a study in fine particle dynamics
International Nuclear Information System (INIS)
Winegardner, W.K.; Owczarski, P.C.
1985-04-01
The characterization and dynamic behavior of fine particles are the main subjects of an ongoing investigation of the particle collection effectiveness of the engineered safety feature (ESF) systems in nuclear power plants. This investigation is part of a larger study of the release of radionuclides to the environment from such plants during postulated accidents that are severe but extremely unlikely. The ESF systems are installed to prevent the occurrence of severe accidents or mitigate their consequences. Several of these engineered systems can serve as particle collection devices. This report focuses on the analytical models that were developed to predict particle behavior in two systems that were not specifically designed for particle retention: the ice compartments of ice condenser containment systems in Pressurized Water Reactors (PWRs) and the suppression pools of Boiling Water Reactors (BWRs). The following section summarizes the topics considered in the development of models and computer codes for estimating the particle retention effectiveness of these two ESF systems. After the summary this paper describes the two ESF systems in more detail and discusses the behavior of particles in both situations
Particle simulation models and their application to controlled fusion
International Nuclear Information System (INIS)
Okuda, H.
1977-01-01
Plasma simulation models using particles are described which have been developed for studying the microscopic behavior of a confined plasma in a magnetic field. The first model is developed to investigate the anomalous diffusion of particles and energy due to low-frequency electrostatic microinstabilities in cylindrical and toroidal systems. The model makes use of the combination of eigenfunction expansion in one direction and the multipole expansion on a two-dimensional spatial grid for solving the Maxwell equations and for pushing particles. The second model is developed to study the neutral beam injection heating of a tokamak plasma taking into account the spatial variation of plasma parameters and the finite ion beam banana orbit. The self-consistent electric and magnetic fields are totally ignored in this model and the Fokker-Planck collisions on the beam ions due to background ions and electrons are built in through the Monte Carlo method
Dislocation dynamics simulations in a cylinder
International Nuclear Information System (INIS)
Weinberger, Christopher R; Aubry, Sylvie; Cai, Wei; Lee, Seok-Woo
2009-01-01
In this work we describe how to perform dislocation dynamics simulations in a cylindrical geometry. An algorithm for computing the image stress is given in detail including methods for handling the singularity. Additional remesh rules address the problems of the cylindrical geometry and the required self consistency with mobility laws. Numerical studies benchmark the accuracy of the algorithms and the importance of handling the singularity correctly.
Molecular dynamic simulations of the sputtering of multilayer organic systems
Postawa, Z; Piaskowy, J; Krantzman, K; Winograd, N; Garrison, B J
2003-01-01
Sputtering of organic overlayers has been modeled using molecular dynamics computer simulations. The investigated systems are composed of benzene molecules condensed into one, two and three layers on an Ag left brace 1 1 1 right brace surface. The formed organic overlayers were bombarded with 4 keV Ar projectiles at normal incidence. The development of the collision cascade in the organic overlayer was investigated. The sputtering yield, mass, internal and kinetic energy distributions of ejected particles have been analyzed as a function of the thickness of the organic layer. The results show that all emission characteristics are sensitive to the variation of layer thickness. Although most of the ejected intact benzene molecules originate from the topmost layer, the emission of particles located initially in second and third layers is significant. The analysis indicates that the metallic substrate plays a dominant role in the ejection of intact organic molecules.
DART: a simulation code for charged particle beams
International Nuclear Information System (INIS)
White, R.C.; Barr, W.L.; Moir, R.W.
1988-01-01
This paper presents a recently modified verion of the 2-D DART code designed to simulate the behavior of a beam of charged particles whose paths are affected by electric and magnetic fields. This code was originally used to design laboratory-scale and full-scale beam direct converters. Since then, its utility has been expanded to allow more general applications. The simulation technique includes space charge, secondary electron effects, and neutral gas ionization. Calculations of electrode placement and energy conversion efficiency are described. Basic operation procedures are given including sample input files and output. 7 refs., 18 figs
Three dimensional particle simulation of drift wave fluctuations in a sheared magnetic field
International Nuclear Information System (INIS)
Sydora, R.D.; Leboeuf, J.N.; Thayer, D.R.; Diamond, P.H.; Tajima, T.
1985-08-01
Three dimensional particle simulations of collisionless drift waves in sheared magnetic fields were performed in order to determine the nonlinear behavior of inverse electron resonance dynamics in the presence of thermal fluctuations. It is found that stochastic electron diffusion in the electron resonance overlap region can destabilize the drift wave eigenmodes. Numerical evaluations based on a nonlinear electron resonance broadening theory give predictions in accord with the frequency and growth rates found in the simulation of short wavelength modes (k/sub y/rho/sub s/ greater than or equal to1)
Gyrokinetics Simulation of Energetic Particle Turbulence and Transport
Energy Technology Data Exchange (ETDEWEB)
Diamond, Patrick H.
2011-09-21
Progress in research during this year elucidated the physics of precession resonance and its interaction with radial scattering to form phase space density granulations. Momentum theorems for drift wave-zonal flow systems involving precession resonance were derived. These are directly generalizable to energetic particle modes. A novel nonlinear, subcritical growth mechanism was identified, which has now been verified by simulation. These results strengthen the foundation of our understanding of transport in burning plasmas
Monte Carlo simulations of interacting particle mixtures in ratchet potentials
International Nuclear Information System (INIS)
Fendrik, A J; Romanelli, L
2012-01-01
There are different models of devices for achieving a separation of mixtures of particles by using the ratchet effect. On the other hand, it has been proposed that one could also control the separation by means of appropriate interactions. Through Monte Carlo simulations, we show that inclusion of simple interactions leads to a decrease of the ratchet effect and therefore also a separation of the mixtures.
Gyrokinetics Simulation of Energetic Particle Turbulence and Transport
International Nuclear Information System (INIS)
Diamond, Patrick H.
2011-01-01
Progress in research during this year elucidated the physics of precession resonance and its interaction with radial scattering to form phase space density granulations. Momentum theorems for drift wave-zonal flow systems involving precession resonance were derived. These are directly generalizable to energetic particle modes. A novel nonlinear, subcritical growth mechanism was identified, which has now been verified by simulation. These results strengthen the foundation of our understanding of transport in burning plasmas
The common component architecture for particle accelerator simulations
International Nuclear Information System (INIS)
Dechow, D.R.; Norris, B.; Amundson, J.
2007-01-01
Synergia2 is a beam dynamics modeling and simulation application for high-energy accelerators such as the Tevatron at Fermilab and the International Linear Collider, which is now under planning and development. Synergia2 is a hybrid, multilanguage software package comprised of two separate accelerator physics packages (Synergia and MaryLie/Impact) and one high-performance computer science package (PETSc). We describe our approach to producing a set of beam dynamics-specific software components based on the Common Component Architecture specification. Among other topics, we describe particular experiences with the following tasks: using Python steering to guide the creation of interfaces and to prototype components; working with legacy Fortran codes; and an example component-based, beam dynamics simulation.
Report of the working group on single-particle nonlinear dynamics
International Nuclear Information System (INIS)
Bazzani, A.; Bongini, L.; Corbett, J.; Dome, G.; Fedorova, A.; Freguglia, P.; Ng, K.; Ohmi, K.; Owen, H.; Papaphilippou, Y.; Robin, D.; Safranek, J.; Scandale, W.; Terebilo, A.; Turchetti, G.; Todesco, E.; Warnock, R.; Zeitlin, M.
1999-01-01
The Working Group on single-particle nonlinear dynamics has developed a set of tools to study nonlinear dynamics in a particle accelerator. The design of rings with large dynamic apertures is still far from automatic. The Working Group has concluded that nonlinear single-particle dynamics limits the performance of accelerators. (AIP) copyright 1999 American Institute of Physics
Blended particle filters for large-dimensional chaotic dynamical systems
Majda, Andrew J.; Qi, Di; Sapsis, Themistoklis P.
2014-01-01
A major challenge in contemporary data science is the development of statistically accurate particle filters to capture non-Gaussian features in large-dimensional chaotic dynamical systems. Blended particle filters that capture non-Gaussian features in an adaptively evolving low-dimensional subspace through particles interacting with evolving Gaussian statistics on the remaining portion of phase space are introduced here. These blended particle filters are constructed in this paper through a mathematical formalism involving conditional Gaussian mixtures combined with statistically nonlinear forecast models compatible with this structure developed recently with high skill for uncertainty quantification. Stringent test cases for filtering involving the 40-dimensional Lorenz 96 model with a 5-dimensional adaptive subspace for nonlinear blended filtering in various turbulent regimes with at least nine positive Lyapunov exponents are used here. These cases demonstrate the high skill of the blended particle filter algorithms in capturing both highly non-Gaussian dynamical features as well as crucial nonlinear statistics for accurate filtering in extreme filtering regimes with sparse infrequent high-quality observations. The formalism developed here is also useful for multiscale filtering of turbulent systems and a simple application is sketched below. PMID:24825886
Particle and Blood Cell Dynamics in Oscillatory Flows Final Report
International Nuclear Information System (INIS)
Restrepo, Juan M.
2008-01-01
Our aim has been to uncover fundamental aspects of the suspension and dislodgement of particles in wall-bounded oscillatory flows, in flows characterized by Reynolds numbers encompassing the situation found in rivers and near shores (and perhaps in some industrial processes). Our research tools are computational and our coverage of parameter space fairly broad. Computational means circumvent many complications that make the measurement of the dynamics of particles in a laboratory setting an impractical task, especially on the broad range of parameter space we plan to report upon. The impact of this work on the geophysical problem of sedimentation is boosted considerably by the fact that the proposed calculations can be considered ab-initio, in the sense that little to no modeling is done in generating dynamics of the particles and of the moving fluid: we use a three-dimensional Navier Stokes solver along with straightforward boundary conditions. Hence, to the extent that Navier Stokes is a model for an ideal incompressible isotropic Newtonian fluid, the calculations yield benchmark values for such things as the drag, buoyancy, and lift of particles, in a highly controlled environment. Our approach will be to make measurements of the lift, drag, and buoyancy of particles, by considering progressively more complex physical configurations and physics.
Parallel treatment of simulation particles in particle-in-cell codes on SUPRENUM
International Nuclear Information System (INIS)
Seldner, D.
1990-02-01
This report contains the program documentation and description of the program package 2D-PLAS, which has been developed at the Nuclear Research Center Karlsruhe in the Institute for Data Processing in Technology (IDT) under the auspices of the BMFT. 2D-PLAS is a parallel program version of the treatment of the simulation particles of the two-dimensional stationary particle-in-cell code BFCPIC which has been developed at the Nuclear Research Center Karlsruhe. This parallel version has been designed for the parallel computer SUPRENUM. (orig.) [de
A molecular dynamics simulation study of chloroform
Tironi, Ilario G.; van Gunsteren, Wilfred F.
Three different chloroform models have been investigated using molecular dynamics computer simulation. The thermodynamic, structural and dynamic properties of the various models were investigated in detail. In particular, the potential energies, diffusion coefficients and rotational correlation times obtained for each model are compared with experiment. It is found that the theory of rotational Brownian motion fails in describing the rotational diffusion of chloroform. The force field of Dietz and Heinzinger was found to give good overall agreement with experiment. An extended investigation of this chloroform model has been performed. Values are reported for the isothermal compressibility, the thermal expansion coefficient and the constant volume heat capacity. The values agree well with experiment. The static and frequency dependent dielectric permittivity were computed from a 1·2 ns simulation conducted under reaction field boundary conditions. Considering the fact that the model is rigid with fixed partial charges, the static dielectric constant and Debye relaxation time compare well with experiment. From the same simulation the shear viscosity was computed using the off-diagonal elements of the pressure tensor, both via an Einstein type relation and via a Green-Kubo equation. The calculated viscosities show good agreement with experimental values. The excess Helmholtz energy is calculated using the thermodynamic integration technique and simulations of 50 and 80 ps. The value obtained for the excess Helmholtz energy matches the theoretical value within a few per cent.
Simulating coronal condensation dynamics in 3D
Moschou, S. P.; Keppens, R.; Xia, C.; Fang, X.
2015-12-01
We present numerical simulations in 3D settings where coronal rain phenomena take place in a magnetic configuration of a quadrupolar arcade system. Our simulation is a magnetohydrodynamic simulation including anisotropic thermal conduction, optically thin radiative losses, and parametrised heating as main thermodynamical features to construct a realistic arcade configuration from chromospheric to coronal heights. The plasma evaporation from chromospheric and transition region heights eventually causes localised runaway condensation events and we witness the formation of plasma blobs due to thermal instability, that evolve dynamically in the heated arcade part and move gradually downwards due to interchange type dynamics. Unlike earlier 2.5D simulations, in this case there is no large scale prominence formation observed, but a continuous coronal rain develops which shows clear indications of Rayleigh-Taylor or interchange instability, that causes the denser plasma located above the transition region to fall down, as the system moves towards a more stable state. Linear stability analysis is used in the non-linear regime for gaining insight and giving a prediction of the system's evolution. After the plasma blobs descend through interchange, they follow the magnetic field topology more closely in the lower coronal regions, where they are guided by the magnetic dips.
Dynamic simulator for PEFC propulsion plant
Energy Technology Data Exchange (ETDEWEB)
Hiraide, Masataka; Kaneda, Eiichi; Sato, Takao [Mitsui Engineering & Shipbuilding Co., Ltd., Tokyo (Japan)] [and others
1996-12-31
This report covers part of a joint study on a PEFC propulsion system for surface ships, summarized in a presentation to this Seminar, entitled {open_quote}Study on a Polymer Electrolyte Fuel Cell (PEFC) Propulsion System for Surface Ships{close_quotes}, and which envisages application to a 1,500 DWT cargo vessel. The work presented here focuses on a simulation study on PEFC propulsion plant performance, and particularly on the system response to changes in load. Using a dynamic simulator composed of system components including fuel cell, various simulations were executed, to examine the performance of the system as a whole and of the individual system components under quick and large load changes such as occasioned by maneuvering operations and by racing when the propeller emerges above water in heavy sea.
Nonlinear dynamics of charged particles in the magnetotail
Chen, James
1992-01-01
An important region of the earth's magnetosphere is the nightside magnetotail, which is believed to play a significant role in energy storage and release associated with substorms. The magnetotail contains a current sheet which separates regions of oppositely directed magnetic field. Particle motion in the collisionless magnetotail has been a long-standing problem. Recent research from the dynamical point of view has yielded considerable new insights into the fundamental properties of orbits and of particle distribution functions. A new framework of understanding magnetospheric plasma properties is emerging. Some novel predictions based directly on nonlinear dynamics have proved to be robust and in apparent good agreement with observation. The earth's magnetotail may serve as a paradigm, one accessible by in situ observation, of a broad class of boundary regions with embedded current sheets. This article reviews the nonlinear dynamics of charged particles in the magnetotail configuration. The emphasis is on the relationships between the dynamics and physical observables. At the end of the introduction, sections containing basic material are indicated.
Supersymmetry and pseudoclassical dynamics of particle with any spin
International Nuclear Information System (INIS)
Srivastava, P.P.
1976-12-01
The use of anticommuting c-numbers in describing physical systems and their simmetries has recently drawn much interest. Supersymmetry among bosons and fermions can be given an adequate formulation using them. Applications to Hamiltonian dynamics of electron adapting Dirac's method of handling singular Lagrangians were quite successful. An extension to particle of any spin following the systematic treatment of Casalbuoni et al. is discussed here. Formulation of Bargmann and Wigner for relativistic particle is obtained on quantization in self-consistent manner. It may be remarked that some of the Dirac brackets between anticommuting variables are required to go to commutators instead of anticommutators
A dynamic inertia weight particle swarm optimization algorithm
International Nuclear Information System (INIS)
Jiao Bin; Lian Zhigang; Gu Xingsheng
2008-01-01
Particle swarm optimization (PSO) algorithm has been developing rapidly and has been applied widely since it was introduced, as it is easily understood and realized. This paper presents an improved particle swarm optimization algorithm (IPSO) to improve the performance of standard PSO, which uses the dynamic inertia weight that decreases according to iterative generation increasing. It is tested with a set of 6 benchmark functions with 30, 50 and 150 different dimensions and compared with standard PSO. Experimental results indicate that the IPSO improves the search performance on the benchmark functions significantly
Investigation of transient dynamics of capillary assisted particle assembly yield
DEFF Research Database (Denmark)
Tamulevičius, S.; Virganavičius, D.; Juodėnas, M.
2017-01-01
diameter polystyrene beads was performed on patterned poly (dimethyl siloxane) substrates using a custom-built deposition setup. Two types of patterns with different trapping site densities were used to assess CAPA process dynamics and the influence of pattern density and geometry on the deposition yield....... The fluorescence micrographs were analyzed using a custom algorithm enabling to identify particles and calculate efficiency of the deposition performed at different regimes. Relationship between the spatial distribution of particles in transition zone and ambient conditions was evaluated and quantified...... by approximation of the yield profile with a logistic function....
Particle simulation of a two-dimensional electrostatic plasma
International Nuclear Information System (INIS)
Patel, K.
1989-01-01
Computer simulation is a growing field of research and plasma physics is one of the important areas where it is being applied today. This report describes the particle method of simulating a two-dimensional electrostatic plasma. The methods used to discretise the plasma equations and integrate the equations of motion are outlined. The algorithm used in building a simulation program is described. The program is applied to simulating the Two-stream Instability occurring within an infinite plasma. The results of the simulation are presented. The growth rate of the instability as simulated is in excellent agreement with the growth rate as calculated using linear theory. Diagnostic techniques used in interpreting the data generated by the simulation program are discussed. A comparison of the computing environment of the ND and PC from a user's viewpoint is presented. It is observed that the PC is an acceptable computing tool for certain (non-trivial) physics problems, and that more extensive use of its computing power should be made. (author). 5 figs
Transient Simulation of Accumulating Particle Deposition in Pipe Flow
Hewett, James; Sellier, Mathieu
2015-11-01
Colloidal particles that deposit in pipe systems can lead to fouling which is an expensive problem in both the geothermal and oil & gas industries. We investigate the gradual accumulation of deposited colloids in pipe flow using numerical simulations. An Euler-Lagrangian approach is employed for modelling the fluid and particle phases. Particle transport to the pipe wall is modelled with Brownian motion and turbulent diffusion. A two-way coupling exists between the fouled material and the pipe flow; the local mass flux of depositing particles is affected by the surrounding fluid in the near-wall region. This coupling is modelled by changing the cells from fluid to solid as the deposited particles exceed each local cell volume. A similar method has been used to model fouling in engine exhaust systems (Paz et al., Heat Transfer Eng., 34(8-9):674-682, 2013). We compare our deposition velocities and deposition profiles with an experiment on silica scaling in turbulent pipe flow (Kokhanenko et al., 19th AFMC, 2014).
Beam dynamics simulation of a double pass proton linear accelerator
Directory of Open Access Journals (Sweden)
Kilean Hwang
2017-04-01
Full Text Available A recirculating superconducting linear accelerator with the advantage of both straight and circular accelerator has been demonstrated with relativistic electron beams. The acceleration concept of a recirculating proton beam was recently proposed [J. Qiang, Nucl. Instrum. Methods Phys. Res., Sect. A 795, 77 (2015NIMAER0168-900210.1016/j.nima.2015.05.056] and is currently under study. In order to further support the concept, the beam dynamics study on a recirculating proton linear accelerator has to be carried out. In this paper, we study the feasibility of a two-pass recirculating proton linear accelerator through the direct numerical beam dynamics design optimization and the start-to-end simulation. This study shows that the two-pass simultaneous focusing without particle losses is attainable including fully 3D space-charge effects through the entire accelerator system.
Stochastic Rotation Dynamics simulations of wetting multi-phase flows
Hiller, Thomas; Sanchez de La Lama, Marta; Brinkmann, Martin
2016-06-01
Multi-color Stochastic Rotation Dynamics (SRDmc) has been introduced by Inoue et al. [1,2] as a particle based simulation method to study the flow of emulsion droplets in non-wetting microchannels. In this work, we extend the multi-color method to also account for different wetting conditions. This is achieved by assigning the color information not only to fluid particles but also to virtual wall particles that are required to enforce proper no-slip boundary conditions. To extend the scope of the original SRDmc algorithm to e.g. immiscible two-phase flow with viscosity contrast we implement an angular momentum conserving scheme (SRD+mc). We perform extensive benchmark simulations to show that a mono-phase SRDmc fluid exhibits bulk properties identical to a standard SRD fluid and that SRDmc fluids are applicable to a wide range of immiscible two-phase flows. To quantify the adhesion of a SRD+mc fluid in contact to the walls we measure the apparent contact angle from sessile droplets in mechanical equilibrium. For a further verification of our wettability implementation we compare the dewetting of a liquid film from a wetting stripe to experimental and numerical studies of interfacial morphologies on chemically structured surfaces.
Simulations of reactive transport and precipitation with smoothed particle hydrodynamics
Tartakovsky, Alexandre M.; Meakin, Paul; Scheibe, Timothy D.; Eichler West, Rogene M.
2007-03-01
A numerical model based on smoothed particle hydrodynamics (SPH) was developed for reactive transport and mineral precipitation in fractured and porous materials. Because of its Lagrangian particle nature, SPH has several advantages for modeling Navier-Stokes flow and reactive transport including: (1) in a Lagrangian framework there is no non-linear term in the momentum conservation equation, so that accurate solutions can be obtained for momentum dominated flows and; (2) complicated physical and chemical processes such as surface growth due to precipitation/dissolution and chemical reactions are easy to implement. In addition, SPH simulations explicitly conserve mass and linear momentum. The SPH solution of the diffusion equation with fixed and moving reactive solid-fluid boundaries was compared with analytical solutions, Lattice Boltzmann [Q. Kang, D. Zhang, P. Lichtner, I. Tsimpanogiannis, Lattice Boltzmann model for crystal growth from supersaturated solution, Geophysical Research Letters, 31 (2004) L21604] simulations and diffusion limited aggregation (DLA) [P. Meakin, Fractals, scaling and far from equilibrium. Cambridge University Press, Cambridge, UK, 1998] model simulations. To illustrate the capabilities of the model, coupled three-dimensional flow, reactive transport and precipitation in a fracture aperture with a complex geometry were simulated.
Fluid Dynamics of Magnetic Nanoparticles in Simulated Blood Vessels
Blue, Lauren; Sewell, Mary Kathryn; Brazel, Christopher S.
2008-11-01
Magnetic nanoparticles (MNPs) can be used to locally target therapies and offer the benefit of using an AC magnetic field to combine hyperthermia treatment with the triggered release of therapeutic agents. Here, we investigate localization of MNPs in a simulated environment to understand the relationship between magnetic field intensity and bulk fluid dynamics to determine MNP retention in a simulated blood vessel. As MNPs travel through blood vessels, they can be slowed or trapped in a specific area by applying a magnetic field. Magnetic cobalt ferrite nanoparticles were synthesized and labeled with a fluorescent rhodamine tag to visualize patterns in a flow cell, as monitored by a fluorescence microscope. Particle retention was determined as a function of flow rate, concentration, and magnetic field strength. Understanding the relationship between magnetic field intensity, flow behavior and nanoparticle characteristics will aid in the development of therapeutic systems specifically targeted to diseased tissue.
Load management strategy for Particle-In-Cell simulations in high energy particle acceleration
Energy Technology Data Exchange (ETDEWEB)
Beck, A., E-mail: beck@llr.in2p3.fr [Laboratoire Leprince-Ringuet, École polytechnique, CNRS-IN2P3, Palaiseau 91128 (France); Frederiksen, J.T. [Niels Bohr Institute, University of Copenhagen, Blegdamsvej 17, 2100 København Ø (Denmark); Dérouillat, J. [CEA, Maison de La Simulation, 91400 Saclay (France)
2016-09-01
In the wake of the intense effort made for the experimental CILEX project, numerical simulation campaigns have been carried out in order to finalize the design of the facility and to identify optimal laser and plasma parameters. These simulations bring, of course, important insight into the fundamental physics at play. As a by-product, they also characterize the quality of our theoretical and numerical models. In this paper, we compare the results given by different codes and point out algorithmic limitations both in terms of physical accuracy and computational performances. These limitations are illustrated in the context of electron laser wakefield acceleration (LWFA). The main limitation we identify in state-of-the-art Particle-In-Cell (PIC) codes is computational load imbalance. We propose an innovative algorithm to deal with this specific issue as well as milestones towards a modern, accurate high-performance PIC code for high energy particle acceleration.
Verification of Gyrokinetic Particle of Turbulent Simulation of Device Size Scaling Transport
Institute of Scientific and Technical Information of China (English)
LIN Zhihong; S. ETHIER; T. S. HAHM; W. M. TANG
2012-01-01
Verification and historical perspective are presented on the gyrokinetic particle simulations that discovered the device size scaling of turbulent transport and indentified the geometry model as the source of the long-standing disagreement between gyrokinetic particle and continuum simulations.
New insights in particle dynamics from group cohomology
International Nuclear Information System (INIS)
Aldaya, V; Jaramillo, J L; Guerrero, J
2002-01-01
The dynamics of a particle moving in background electromagnetic and gravitational fields is revisited from a Lie group cohomological perspective. Physical constants characterizing the particle appear as central extension parameters of a group which is obtained from a centrally extended kinematical group (Poincare or Galilei) by making some subgroup local. The corresponding dynamics is generated by a vector field inside the kernel of a pre-symplectic form which is derived from the canonical left-invariant 1-form on the extended group. A non-relativistic limit is derived from the geodesic motion via an Inoenue-Wigner contraction. A deeper analysis of the cohomological structure reveals the possibility of a new force associated with a non-trivial mixing of gravity and electromagnetism leading to, in principle, testable predictions. (letter to the editor)
Dynamic bremsstrahlung from relativistic particles scattered by atom
International Nuclear Information System (INIS)
Astapenko, V.A.; Bujmistrov, V.M.; Krotov, Yu.A.; Mikhajlov, L.K.; Trakhtenberg, L.I.
1985-01-01
The bremsstrahlung cross section for a relativistic particle scattered by an atom is calculated. In contrast to the screening approximation usually employed, the influence of the atomic electron on the bremsstrahlung is taken into account exactly, viz., the atomic electron is considered as a moving particle interacting with the electromagnetic field and not only as the source of a static external field. Consequently, along with the static term which leads to the Bethe-Heitw,ler formula, a ne dynamic, term appears in the transition amplitude. The corresponding cross section, the dynamic bremsstrahlung cross section, in certain frequensy ranges and certain ranges of the directions of photon emission exceeds considerably the static bremsstrahlung cross section
Computer simulation of confined liquid crystal dynamics
International Nuclear Information System (INIS)
Webster, R.E.
2001-11-01
Results are presented from a series of simulations undertaken to determine whether dynamic processes observed in device-scale liquid crystal cells confined between aligning substrates can be simulated in a molecular system using parallel molecular dynamics of the Gay-Berne model. In a nematic cell, on removal of an aligning field, initial near-surface director relaxation can induce flow, termed 'backflow' in the liquid. This, in turn, can cause director rotation, termed 'orientational kickback', in the centre of the cell. Simulations are performed of the relaxation in nematic systems confined between substrates with a common alignment on removal of an aligning field. Results show /that relaxation timescales of medium sized systems are accessible. Following this, simulations are performed of relaxation in hybrid aligned nematic systems, where each surface induces a different alignment. Flow patterns associated with director reorientation are observed. The damped oscillatory nature of the relaxation process suggests that the behaviour of these systems is dominated by orientational elastic forces and that the observed director motion and flow do not correspond to the macroscopic processes of backflow and kickback. Chevron structures can occur in confined smectic cells which develop two domains of equal and opposite layer tilt on cooling. Layer lilting is thought to be caused by a need to reconcile a mismatch between bulk and surface smectic layer spacing. Here, simulations are performed of the formation of structures in confined smectic systems where layer tilt is induced by an imposed surface pretilt. Results show that bookshelf, chevron and tilled layer structures are observable in a confined Gay-Berne system. The formation and stability of the chevron structure are shown to be influenced by surface slip. (author)
Computer simulation of confined liquid crystal dynamics
Energy Technology Data Exchange (ETDEWEB)
Webster, R.E
2001-11-01
Results are presented from a series of simulations undertaken to determine whether dynamic processes observed in device-scale liquid crystal cells confined between aligning substrates can be simulated in a molecular system using parallel molecular dynamics of the Gay-Berne model. In a nematic cell, on removal of an aligning field, initial near-surface director relaxation can induce flow, termed 'backflow' in the liquid. This, in turn, can cause director rotation, termed 'orientational kickback', in the centre of the cell. Simulations are performed of the relaxation in nematic systems confined between substrates with a common alignment on removal of an aligning field. Results show /that relaxation timescales of medium sized systems are accessible. Following this, simulations are performed of relaxation in hybrid aligned nematic systems, where each surface induces a different alignment. Flow patterns associated with director reorientation are observed. The damped oscillatory nature of the relaxation process suggests that the behaviour of these systems is dominated by orientational elastic forces and that the observed director motion and flow do not correspond to the macroscopic processes of backflow and kickback. Chevron structures can occur in confined smectic cells which develop two domains of equal and opposite layer tilt on cooling. Layer lilting is thought to be caused by a need to reconcile a mismatch between bulk and surface smectic layer spacing. Here, simulations are performed of the formation of structures in confined smectic systems where layer tilt is induced by an imposed surface pretilt. Results show that bookshelf, chevron and tilled layer structures are observable in a confined Gay-Berne system. The formation and stability of the chevron structure are shown to be influenced by surface slip. (author)
Painleve singularity analysis applied to charged particle dynamics during reconnection
International Nuclear Information System (INIS)
Larson, J.W.
1992-01-01
For a plasma in the collisionless regime, test-particle modelling can lend some insight into the macroscopic behavior of the plasma, e.g. conductivity and heating. A common example for which this technique is used is a system with electric and magnetic fields given by B = δyx + zy + yz and E = εz, where δ, γ, and ε are constant parameters. This model can be used to model plasma behavior near neutral lines, (γ = 0), as well as current sheets (γ = 0, δ = 0). The integrability properties of the particle motion in such fields might affect the plasma's macroscopic behavior, and the author has asked the question open-quotes For what values of δ, γ, and ε is the system integrable?close quotes To answer this question, the author has employed Painleve singularity analysis, which is an examination of the singularity properties of a test particle's equations of motion in the complex time plane. This analysis has identified two field geometries for which the system's particle dynamics are integrable in terms of the second Painleve transcendent: the circular O-line case and the case of the neutral sheet configuration. These geometries yield particle dynamics that are integrable in the Liouville sense (i.e., there exist the proper number of integrals in involution) in an extended phase space which includes the time as a canonical coordinate, and this property is also true for nonzero γ. The singularity property tests also identified a large, dense set of X-line and O-line field geometries that yield dynamics that may possess the weak Painleve property. In the case of the X-line geometries, this result shows little relevance to the physical nature of the system, but the existence of a dense set of elliptical O-line geometries with this property may be related to the fact that for ε positive, one can construct asymptotic solutions in the limit t → ∞
Auxiliary fields in the geometrical relativistic particle dynamics
International Nuclear Information System (INIS)
Amador, A; Bagatella, N; Rojas, E; Cordero, R
2008-01-01
We describe how to construct the dynamics of relativistic particles, following either timelike or null curves, by means of an auxiliary variables method instead of the standard theory of deformations for curves. There are interesting physical particle models governed by actions that involve higher order derivatives of the embedding functions of the worldline. We point out that the mechanical content of such models can be extracted wisely from a lower order action, which can be performed by implementing in the action a finite number of constraints that involve the geometrical relationship structures inherent to a curve and by using a covariant formalism. We emphasize our approach for null curves. For such systems, the natural time parameter is a pseudo-arclength whose properties resemble those of the standard proper time. We illustrate the formalism by applying it to some models for relativistic particles
Auxiliary fields in the geometrical relativistic particle dynamics
Energy Technology Data Exchange (ETDEWEB)
Amador, A; Bagatella, N; Rojas, E [Departamento de Fisica, Facultad de Fisica e Inteligencia Artificial, Universidad Veracruzana, 91000 Xalapa, Veracruz (Mexico); Cordero, R [Departamento de Fisica, Escuela Superior de Fisica y Matematicas del I.P.N, Edificio 9, 07738 Mexico D.F (Mexico)], E-mail: aramador@gmail.com, E-mail: nbagatella@uv.mx, E-mail: cordero@esfm.ipn.mx, E-mail: efrojas@uv.mx
2008-03-21
We describe how to construct the dynamics of relativistic particles, following either timelike or null curves, by means of an auxiliary variables method instead of the standard theory of deformations for curves. There are interesting physical particle models governed by actions that involve higher order derivatives of the embedding functions of the worldline. We point out that the mechanical content of such models can be extracted wisely from a lower order action, which can be performed by implementing in the action a finite number of constraints that involve the geometrical relationship structures inherent to a curve and by using a covariant formalism. We emphasize our approach for null curves. For such systems, the natural time parameter is a pseudo-arclength whose properties resemble those of the standard proper time. We illustrate the formalism by applying it to some models for relativistic particles.
Hybrid finite element and Brownian dynamics method for charged particles
Energy Technology Data Exchange (ETDEWEB)
Huber, Gary A., E-mail: ghuber@ucsd.edu; Miao, Yinglong [Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093-0365 (United States); Zhou, Shenggao [Department of Mathematics and Mathematical Center for Interdiscipline Research, Soochow University, 1 Shizi Street, Suzhou, 215006 Jiangsu (China); Li, Bo [Department of Mathematics and Quantitative Biology Graduate Program, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0112 (United States); McCammon, J. Andrew [Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093 (United States); Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093-0365 (United States); Department of Pharmacology, University of California San Diego, La Jolla, California 92093-0636 (United States)
2016-04-28
Diffusion is often the rate-determining step in many biological processes. Currently, the two main computational methods for studying diffusion are stochastic methods, such as Brownian dynamics, and continuum methods, such as the finite element method. A previous study introduced a new hybrid diffusion method that couples the strengths of each of these two methods, but was limited by the lack of interactions among the particles; the force on each particle had to be from an external field. This study further develops the method to allow charged particles. The method is derived for a general multidimensional system and is presented using a basic test case for a one-dimensional linear system with one charged species and a radially symmetric system with three charged species.
Advances in computational dynamics of particles, materials and structures a unified approach
Har, Jason
2012-01-01
Computational methods for the modeling and simulation of the dynamic response and behavior of particles, materials and structural systems have had a profound influence on science, engineering and technology. Complex science and engineering applications dealing with complicated structural geometries and materials that would be very difficult to treat using analytical methods have been successfully simulated using computational tools. With the incorporation of quantum, molecular and biological mechanics into new models, these methods are poised to play an even bigger role in the future. Ad
Estimation of the Dynamic States of Synchronous Machines Using an Extended Particle Filter
Energy Technology Data Exchange (ETDEWEB)
Zhou, Ning; Meng, Da; Lu, Shuai
2013-11-11
In this paper, an extended particle filter (PF) is proposed to estimate the dynamic states of a synchronous machine using phasor measurement unit (PMU) data. A PF propagates the mean and covariance of states via Monte Carlo simulation, is easy to implement, and can be directly applied to a non-linear system with non-Gaussian noise. The extended PF modifies a basic PF to improve robustness. Using Monte Carlo simulations with practical noise and model uncertainty considerations, the extended PF’s performance is evaluated and compared with the basic PF and an extended Kalman filter (EKF). The extended PF results showed high accuracy and robustness against measurement and model noise.
Discrete Element Simulation of Elastoplastic Shock Wave Propagation in Spherical Particles
Directory of Open Access Journals (Sweden)
M. Shoaib
2011-01-01
Full Text Available Elastoplastic shock wave propagation in a one-dimensional assembly of spherical metal particles is presented by extending well-established quasistatic compaction models. The compaction process is modeled by a discrete element method while using elastic and plastic loading, elastic unloading, and adhesion at contacts with typical dynamic loading parameters. Of particular interest is to study the development of the elastoplastic shock wave, its propagation, and reflection during entire loading process. Simulation results yield information on contact behavior, velocity, and deformation of particles during dynamic loading. Effects of shock wave propagation on loading parameters are also discussed. The elastoplastic shock propagation in granular material has many practical applications including the high-velocity compaction of particulate material.
Single-particle tracking: applications to membrane dynamics.
Saxton, M J; Jacobson, K
1997-01-01
Measurements of trajectories of individual proteins or lipids in the plasma membrane of cells show a variety of types of motion. Brownian motion is observed, but many of the particles undergo non-Brownian motion, including directed motion, confined motion, and anomalous diffusion. The variety of motion leads to significant effects on the kinetics of reactions among membrane-bound species and requires a revision of existing views of membrane structure and dynamics.
A Facile Synthesis of Dynamic, Shape Changing Polymer Particles
Klinger, Daniel; Wang, Cynthia; Connal, Luke A.; Audus, Debra J.; Jang, Se Gyu; Kraemer, Stephan; Killops, Kato L.; Fredrickson, Glenn H.; Kramer, Edward J.; Hawker, Craig J.
2014-01-01
We herein report a new facile strategy to ellipsoidal block copolymer nanoparticles exhibiting a pH-triggered anistropic swelling profile. In a first step, elongated particles with an axially stacked lamellae structure are selectively prepared by utilizing functional surfactants to control the phase separation of symmetric PS-b-P2VP in dispersed droplets. In a second step, the dynamic shape change is realized by crosslinking the P2VP domains, hereby connecting glassy PS discs with pH-sensitiv...
Miao, Linling; Young, Charles D.; Sing, Charles E.
2017-07-01
Brownian Dynamics (BD) simulations are a standard tool for understanding the dynamics of polymers in and out of equilibrium. Quantitative comparison can be made to rheological measurements of dilute polymer solutions, as well as direct visual observations of fluorescently labeled DNA. The primary computational challenge with BD is the expensive calculation of hydrodynamic interactions (HI), which are necessary to capture physically realistic dynamics. The full HI calculation, performed via a Cholesky decomposition every time step, scales with the length of the polymer as O(N3). This limits the calculation to a few hundred simulated particles. A number of approximations in the literature can lower this scaling to O(N2 - N2.25), and explicit solvent methods scale as O(N); however both incur a significant constant per-time step computational cost. Despite this progress, there remains a need for new or alternative methods of calculating hydrodynamic interactions; large polymer chains or semidilute polymer solutions remain computationally expensive. In this paper, we introduce an alternative method for calculating approximate hydrodynamic interactions. Our method relies on an iterative scheme to establish self-consistency between a hydrodynamic matrix that is averaged over simulation and the hydrodynamic matrix used to run the simulation. Comparison to standard BD simulation and polymer theory results demonstrates that this method quantitatively captures both equilibrium and steady-state dynamics after only a few iterations. The use of an averaged hydrodynamic matrix allows the computationally expensive Brownian noise calculation to be performed infrequently, so that it is no longer the bottleneck of the simulation calculations. We also investigate limitations of this conformational averaging approach in ring polymers.
Directory of Open Access Journals (Sweden)
Sarim Ahmed
2018-06-01
Full Text Available A venturi scrubber is an important element of Filtered Containment Venting System (FCVS for the removal of aerosols in contaminated air. The present work involves computational fluid dynamics (CFD study of dust particle removal efficiency of a venturi scrubber operating in self-priming mode using ANSYS CFX. Titanium oxide (TiO2 particles having sizes of 1 micron have been taken as dust particles. CFD methodology to simulate the venturi scrubber has been first developed. The cascade atomization and breakup (CAB model has been used to predict deformation of water droplets, whereas the Eulerian–Lagrangian approach has been used to handle multiphase flow involving air, dust, and water. The developed methodology has been applied to simulate venturi scrubber geometry taken from the literature. Dust particle removal efficiency has been calculated for forced feed operation of venturi scrubber and found to be in good agreement with the results available in the literature. In the second part, venturi scrubber along with a tank has been modeled in CFX, and transient simulations have been performed to study self-priming phenomenon. Self-priming has been observed by plotting the velocity vector fields of water. Suction of water in the venturi scrubber occurred due to the difference between static pressure in the venturi scrubber and the hydrostatic pressure of water inside the tank. Dust particle removal efficiency has been calculated for inlet air velocities of 1 m/s and 3 m/s. It has been observed that removal efficiency is higher in case of higher inlet air velocity. Keywords: Computational Fluid Dynamics, Dust Particles, Filtered Containment Venting System, Self-priming Venturi Scrubber, Venturi Scrubber
Complex dynamic and static structures in interconnected particle systems
International Nuclear Information System (INIS)
Kristiansen, Kai de Lange
2004-01-01
, and may also be a subject. for future studies. The diffusive behaviour of a cluster of a semi-large number spheres in a soft potential undergoes transitions in length scale from super diffusion via normal diffusion to sub diffusion. This analysis follows the motion of one sphere over a large time span. Knot theory can be used to get other measures of the collective behaviour, e.g. the linking number seems to be a promising measure and would be worth studying. This quantity represents the number of times the world lines from two spheres cross each other in a preferred direction of rotation. Random dense packing of spheres is a useful model for disordered and granular media. The monolayer of non-magnetic spheres in a ferro fluid is used to simulate this packing in 2D. Our experiments show packing structures similar to previous results. In 3D we have used a mechanical contraction method, paper 5, to simulate rapid sedimentation of binary mixture of spherical colloidal particles. The densities as function of sphere composition were found to be similar to results from the experiments. For a random dense packing it would be interesting to follow the idea of the excluded volume argument to explain quantitatively the density as function of size- and shape distributions. The mechanical contraction method seems to be ideal for doing these kinds of numerical calculations. The coordination number is difficult to find in a real system of colloidal particles, but is easily obtained in numerical simulations. Nucleation of a colloidal monolayer in all alternating electric field has been studied recently. The magnetic hole system may be used to show a similar behaviour in a magnetic field. With this system we can study the nucleation process from the beginning and also to investigate the nucleation rate. Preliminary experiments have also been done that show large differences in the behaviour in systems with only free spheres and systems with some obstacles or fixed spheres among the
Complex dynamic and static structures in interconnected particle systems
Energy Technology Data Exchange (ETDEWEB)
Kristiansen, Kai de Lange
2004-07-01
-Mandelbrot relation is not fully understood, and may also be a subject. for future studies. The diffusive behaviour of a cluster of a semi-large number spheres in a soft potential undergoes transitions in length scale from super diffusion via normal diffusion to sub diffusion. This analysis follows the motion of one sphere over a large time span. Knot theory can be used to get other measures of the collective behaviour, e.g. the linking number seems to be a promising measure and would be worth studying. This quantity represents the number of times the world lines from two spheres cross each other in a preferred direction of rotation. Random dense packing of spheres is a useful model for disordered and granular media. The monolayer of non-magnetic spheres in a ferro fluid is used to simulate this packing in 2D. Our experiments show packing structures similar to previous results. In 3D we have used a mechanical contraction method, paper 5, to simulate rapid sedimentation of binary mixture of spherical colloidal particles. The densities as function of sphere composition were found to be similar to results from the experiments. For a random dense packing it would be interesting to follow the idea of the excluded volume argument to explain quantitatively the density as function of size- and shape distributions. The mechanical contraction method seems to be ideal for doing these kinds of numerical calculations. The coordination number < C > is difficult to find in a real system of colloidal particles, but is easily obtained in numerical simulations. Nucleation of a colloidal monolayer in all alternating electric field has been studied recently. The magnetic hole system may be used to show a similar behaviour in a magnetic field. With this system we can study the nucleation process from the beginning and also to investigate the nucleation rate. Preliminary experiments have also been done that show large differences in the behaviour in systems with only free spheres and systems with some
Energy Technology Data Exchange (ETDEWEB)
Lopez-Bruna, D; Ferreira, J A; Tabares, F L; Castejon, F; Guasp, J
2007-07-20
With the aim of improving the calculation tools for transport analysis in TJ-II plasmas, in this work we analyze the simplified model for a kinetic equation that ASTRA uses to calculate the neutral particle distribution in the plasma. Next, we act on the boundary conditions for this kinetic equation (particularly on the neutral density in the plasma boundary) so we can simulate the recycling conditions for the TJ-II in a simple way. With the resulting transport models we can easily analyze the sensibility of these plasmas to the cold gas puffing depending on the recycling conditions. These transport models evidence the problem of density control in the TJ-II. Likewise, we estimate the importance of recycling in the plasmas heated by energetic neutral beam injection. The experimentally observed increments in density when the energetic neutrals are injected would respond, according to the calculations here presented, to a large increment of the neutrals influx that cannot be explained by the beam itself. (Author) 22 refs.
HTTR plant dynamic simulation using a hybrid computer
International Nuclear Information System (INIS)
Shimazaki, Junya; Suzuki, Katsuo; Nabeshima, Kunihiko; Watanabe, Koichi; Shinohara, Yoshikuni; Nakagawa, Shigeaki.
1990-01-01
A plant dynamic simulation of High-Temperature Engineering Test Reactor has been made using a new-type hybrid computer. This report describes a dynamic simulation model of HTTR, a hybrid simulation method for SIMSTAR and some results obtained from dynamics analysis of HTTR simulation. It concludes that the hybrid plant simulation is useful for on-line simulation on account of its capability of computation at high speed, compared with that of all digital computer simulation. With sufficient accuracy, 40 times faster computation than real time was reached only by changing an analog time scale for HTTR simulation. (author)
Du, S.; Guo, F.; Zank, G. P.; Li, X.; Stanier, A.
2017-12-01
The interaction between magnetic flux ropes has been suggested as a process that leads to efficient plasma energization and particle acceleration (e.g., Drake et al. 2013; Zank et al. 2014). However, the underlying plasma dynamics and acceleration mechanisms are subject to examination of numerical simulations. As a first step of this effort, we carry out 2D fully kinetic simulations using the VPIC code to study the plasma energization and particle acceleration during coalescence of two magnetic flux ropes. Our analysis shows that the reconnection electric field and compression effect are important in plasma energization. The results may help understand the energization process associated with magnetic flux ropes frequently observed in the solar wind near the heliospheric current sheet.
Particle-in-cell numerical simulations of a cylindrical Hall thruster with permanent magnets
Miranda, Rodrigo A.; Martins, Alexandre A.; Ferreira, José L.
2017-10-01
The cylindrical Hall thruster (CHT) is a propulsion device that offers high propellant utilization and performance at smaller dimensions and lower power levels than traditional Hall thrusters. In this paper we present first results of a numerical model of a CHT. This model solves particle and field dynamics self-consistently using a particle-in-cell approach. We describe a number of techniques applied to reduce the execution time of the numerical simulations. The specific impulse and thrust computed from our simulations are in agreement with laboratory experiments. This simplified model will allow for a detailed analysis of different thruster operational parameters and obtain an optimal configuration to be implemented at the Plasma Physics Laboratory at the University of Brasília.
Parallelization of a Monte Carlo particle transport simulation code
Hadjidoukas, P.; Bousis, C.; Emfietzoglou, D.
2010-05-01
We have developed a high performance version of the Monte Carlo particle transport simulation code MC4. The original application code, developed in Visual Basic for Applications (VBA) for Microsoft Excel, was first rewritten in the C programming language for improving code portability. Several pseudo-random number generators have been also integrated and studied. The new MC4 version was then parallelized for shared and distributed-memory multiprocessor systems using the Message Passing Interface. Two parallel pseudo-random number generator libraries (SPRNG and DCMT) have been seamlessly integrated. The performance speedup of parallel MC4 has been studied on a variety of parallel computing architectures including an Intel Xeon server with 4 dual-core processors, a Sun cluster consisting of 16 nodes of 2 dual-core AMD Opteron processors and a 200 dual-processor HP cluster. For large problem size, which is limited only by the physical memory of the multiprocessor server, the speedup results are almost linear on all systems. We have validated the parallel implementation against the serial VBA and C implementations using the same random number generator. Our experimental results on the transport and energy loss of electrons in a water medium show that the serial and parallel codes are equivalent in accuracy. The present improvements allow for studying of higher particle energies with the use of more accurate physical models, and improve statistics as more particles tracks can be simulated in low response time.
International Nuclear Information System (INIS)
Fivaz, M.; Fasoli, A.; Appert, K.; Trans, T.M.; Tran, M.Q.; Skiff, F.
1993-08-01
Dynamical chaos is produced by the interaction between plasma particles and two electrostatic waves. Experiments performed in a linear magnetized plasma and a 1D particle-in-cell simulation agree qualitatively: above a threshold wave amplitude, ion stochastic diffusion and heating occur on a fast time scale. Self-consistency appears to limit the extent of the heating process. (author) 5 figs., 18 refs
Generator dynamics in aeroelastic analysis and simulations
DEFF Research Database (Denmark)
Larsen, Torben J.; Hansen, Morten Hartvig; Iov, F.
2003-01-01
This report contains a description of a dynamic model for a doubly-fed induction generator. The model has physical input parameters (voltage, resistance, reactance etc.) and can be used to calculate rotor and stator currents, hence active and reactivepower. A perturbation method has been used...... to reduce the original generator model equations to a set of equations which can be solved with the same time steps as a typical aeroelastic code. The method is used to separate the fast transients of the modelfrom the slow variations and deduce a reduced order expression for the slow part. Dynamic effects...... of the first order terms in the model as well as the influence on drive train eigenfrequencies and damping has been investigated. Load response during timesimulation of wind turbine response have been compared to simulations with a traditional static generator model based entirely on the slip angle. A 2 MW...
A system for designing and simulating particle physics experiments
International Nuclear Information System (INIS)
Zelazny, R.; Strzalkowski, P.
1987-01-01
In view of the rapid development of experimental facilities and their costs, the systematic design and preparation of particle physics experiments have become crucial. A software system is proposed as an aid for the experimental designer, mainly for experimental geometry analysis and experimental simulation. The following model is adopted: the description of an experiment is formulated in a language (here called XL) and put by its processor in a data base. The language is based on the entity-relationship-attribute approach. The information contained in the data base can be reported and analysed by an analyser (called XA) and modifications can be made at any time. In particular, the Monte Carlo methods can be used in experiment simulation for both physical phenomena in experimental set-up and detection analysis. The general idea of the system is based on the design concept of ISDOS project information systems. The characteristics of the simulation module are similar to those of the CERN Geant system, but some extensions are proposed. The system could be treated as a component of greater, integrated software environment for the design of particle physics experiments, their monitoring and data processing. (orig.)
Measurements of particle dynamics in slow, dense granular Couette flow
Mueth, Daniel M.
2003-01-01
Experimental measurements of particle dynamics on the lower surface of a three-dimensional (3D) Couette cell containing monodisperse spheres are reported. The average radial density and velocity profiles are similar to those previously measured within the bulk and on the lower surface of the 3D cell filled with mustard seeds. Observations of the evolution of particle velocities over time reveal distinct motion events, intervals where previously stationary particles move for a short duration before jamming again. The cross correlation between the velocities of two particles at a given distance r from the moving wall reveals a characteristic length scale over which the particles are correlated. The autocorrelation of a single particle’s velocity reveals a characteristic time scale τ, which decreases with increasing distance from the inner moving wall. This may be attributed to the increasing rarity at which the discrete motion events occur and the reduced duration of those events at large r. The relationship between the rms azimuthal velocity fluctuations, δvθ(r), and average shear rate, γ˙(r), was found to be δvθ∝γ˙α with α=0.52±0.04. These observations are compared with other recent experiments and with the modified hydrodynamic model recently introduced by Bocquet et al.
Alpha-particle simulation using NBI beam and ICRF wave
International Nuclear Information System (INIS)
Ogawa, Y.; Hamada, Y.
1984-07-01
A new idea to produce the distribution function similar to that of alpha-particles in an ignited plasma has been proposed. This concept is attributed to the acceleration of the injected beam up to about 1 MeV/nucleon by the ICRF wave with cyclotron higher harmonics. This new method makes it possible to perform the simulation experiments for alpha-particles under the condition of moderate plasma parameters (e.g., Tsub(e) = 4 keV, nsub(e) = 3.5x10 19 m -3 and B sub(T) = 3 T). And it is found that 3ωsub(ci) ICRF wave is preferable compared with other cyclotron harmonics, from the viewpoints of the effective tail formation with smaller bulk ion heating and lower amplitude of the applied electric field. The formula for the maximum energy of the extended beam is also derived. (author)
Dynamics and mechanics of bed-load tracer particles
Directory of Open Access Journals (Sweden)
C. B. Phillips
2014-12-01
Full Text Available Understanding the mechanics of bed load at the flood scale is necessary to link hydrology to landscape evolution. Here we report on observations of the transport of coarse sediment tracer particles in a cobble-bedded alluvial river and a step-pool bedrock tributary, at the individual flood and multi-annual timescales. Tracer particle data for each survey are composed of measured displacement lengths for individual particles, and the number of tagged particles mobilized. For single floods we find that measured tracer particle displacement lengths are exponentially distributed; the number of mobile particles increases linearly with peak flood Shields stress, indicating partial bed load transport for all observed floods; and modal displacement distances scale linearly with excess shear velocity. These findings provide quantitative field support for a recently proposed modeling framework based on momentum conservation at the grain scale. Tracer displacement is weakly negatively correlated with particle size at the individual flood scale; however cumulative travel distance begins to show a stronger inverse relation to grain size when measured over many transport events. The observed spatial sorting of tracers approaches that of the river bed, and is consistent with size-selective deposition models and laboratory experiments. Tracer displacement data for the bedrock and alluvial channels collapse onto a single curve – despite more than an order of magnitude difference in channel slope – when variations of critical Shields stress and flow resistance between the two are accounted for. Results show how bed load dynamics may be predicted from a record of river stage, providing a direct link between climate and sediment transport.
Tavassoli Estahbanati, H.; Peters, E.A.J.F.; Kuipers, J.A.M.
2015-01-01
Direct numerical simulations are conducted to characterize the fluid-particle heat transfer coefficient in fixed random arrays of non-spherical particles. The objective of this study is to examine the applicability of well-known heat transfer correlations, that are proposed for spherical particles,
Study of asymmetrical electric discharges using particle simulation
International Nuclear Information System (INIS)
Alves, M.V.
1990-11-01
Asymmetrical electric discharges are been widely used in the microelectronic industry. The asymmetry in the electrode areas determines the magnitude of the plasma-to-electrode voltage, V sub(a), at the powered electrode, which determines the ion bombarding energy, a critical plasma processing parameter. Two many-particle simulation codes, called P D C 1 and P D S 1, were developed. These codes are electrostatic, one-dimensional (radial) and model (a bounded plasma between two infinite cylinders or two concentric spheres that can be connected to a RLC external circuit. Both codes consider asymmetrical electrodes areas. In order to simulate electrical discharges, Monte-Carlo simulation of electron-neutral and ion-neutral collisions were included. These codes were used to study the relationship between the voltage area ratio across the sheaths, V sub(a) / V sub(b), and the electrode area ratio A sub(b) / A sub(a). Simulation results agree with experimental results and also with the analytical model that includes local ionization near the electrodes, observed to occur in almost all our simulations. (author)
International Nuclear Information System (INIS)
Bao, Rong; Li, Yongdong; Liu, Chunliang; Wang, Hongguang
2016-01-01
The output power fluctuations caused by weights of macro particles used in particle-in-cell (PIC) simulations of a backward wave oscillator and a travelling wave tube are statistically analyzed. It is found that the velocities of electrons passed a specific slow-wave structure form a specific electron velocity distribution. The electron velocity distribution obtained in PIC simulation with a relative small weight of macro particles is considered as an initial distribution. By analyzing this initial distribution with a statistical method, the estimations of the output power fluctuations caused by different weights of macro particles are obtained. The statistical method is verified by comparing the estimations with the simulation results. The fluctuations become stronger with increasing weight of macro particles, which can also be determined reversely from estimations of the output power fluctuations. With the weights of macro particles optimized by the statistical method, the output power fluctuations in PIC simulations are relatively small and acceptable.
International Nuclear Information System (INIS)
Haruki, Takayuki; Yousefi, Hamid Reza; Masugata, Katsumi; Sakai, Jun-Ichi; Mizuguchi, Yusuke; Makino, Nao; Ito, Hiroaki
2006-01-01
In an experimental plasma, high-energy particles were observed by using a plasma focus device, to obtain energies of a few hundred keV for electrons, up to MeV for ions. In order to study the mechanism of high-energy particle production in pinched plasma discharges, a numerical simulation was introduced. By use of a three-dimensional relativistic and fully electromagnetic particle-in-cell code, the dynamics of a Z-pinch plasma, thought to be unstable against sausage and kink instabilities, are investigated. In this work, the development of sausage and kink instabilities and subsequent high-energy particle production are shown. In the model used here, cylindrically distributed electrons and ions are driven by an external electric field. The driven particles spontaneously produce a current, which begins to pinch by the Lorentz force. Initially the pinched current is unstable against a sausage instability, and then becomes unstable against a kink instability. As a result high-energy particles are observed
Augmenting Sand Simulation Environments through Subdivision and Particle Refinement
Clothier, M.; Bailey, M.
2012-12-01
Recent advances in computer graphics and parallel processing hardware have provided disciplines with new methods to evaluate and visualize data. These advances have proven useful for earth and planetary scientists as many researchers are using this hardware to process large amounts of data for analysis. As such, this has provided opportunities for collaboration between computer graphics and the earth sciences. Through collaboration with the Oregon Space Grant and IGERT Ecosystem Informatics programs, we are investigating techniques for simulating the behavior of sand. We are also collaborating with the Jet Propulsion Laboratory's (JPL) DARTS Lab to exchange ideas and gain feedback on our research. The DARTS Lab specializes in simulation of planetary vehicles, such as the Mars rovers. Their simulations utilize a virtual "sand box" to test how a planetary vehicle responds to different environments. Our research builds upon this idea to create a sand simulation framework so that planetary environments, such as the harsh, sandy regions on Mars, are more fully realized. More specifically, we are focusing our research on the interaction between a planetary vehicle, such as a rover, and the sand beneath it, providing further insight into its performance. Unfortunately, this can be a computationally complex problem, especially if trying to represent the enormous quantities of sand particles interacting with each other. However, through the use of high-performance computing, we have developed a technique to subdivide areas of actively participating sand regions across a large landscape. Similar to a Level of Detail (LOD) technique, we only subdivide regions of a landscape where sand particles are actively participating with another object. While the sand is within this subdivision window and moves closer to the surface of the interacting object, the sand region subdivides into smaller regions until individual sand particles are left at the surface. As an example, let's say
Simulating Sand Behavior through Terrain Subdivision and Particle Refinement
Clothier, M.
2013-12-01
Advances in computer graphics, GPUs, and parallel processing hardware have provided researchers with new methods to visualize scientific data. In fact, these advances have spurred new research opportunities between computer graphics and other disciplines, such as Earth sciences. Through collaboration, Earth and planetary scientists have benefited by using these advances in hardware technology to process large amounts of data for visualization and analysis. At Oregon State University, we are collaborating with the Oregon Space Grant and IGERT Ecosystem Informatics programs to investigate techniques for simulating the behavior of sand. In addition, we have also been collaborating with the Jet Propulsion Laboratory's DARTS Lab to exchange ideas on our research. The DARTS Lab specializes in the simulation of planetary vehicles, such as the Mars rovers. One aspect of their work is testing these vehicles in a virtual "sand box" to test their performance in different environments. Our research builds upon this idea to create a sand simulation framework to allow for more complex and diverse environments. As a basis for our framework, we have focused on planetary environments, such as the harsh, sandy regions on Mars. To evaluate our framework, we have used simulated planetary vehicles, such as a rover, to gain insight into the performance and interaction between the surface sand and the vehicle. Unfortunately, simulating the vast number of individual sand particles and their interaction with each other has been a computationally complex problem in the past. However, through the use of high-performance computing, we have developed a technique to subdivide physically active terrain regions across a large landscape. To achieve this, we only subdivide terrain regions where sand particles are actively participating with another object or force, such as a rover wheel. This is similar to a Level of Detail (LOD) technique, except that the density of subdivisions are determined by