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Sample records for self-consistent particle-in-cell pic

  1. Plasma and BIAS Modeling: Self-Consistent Electrostatic Particle-in-Cell with Low-Density Argon Plasma for TiC

    Directory of Open Access Journals (Sweden)

    Jürgen Geiser

    2011-01-01

    processes. In this paper we present a new model taken into account a self-consistent electrostatic-particle in cell model with low density Argon plasma. The collision model are based of Monte Carlo simulations is discussed for DC sputtering in lower pressure regimes. In order to simulate transport phenomena within sputtering processes realistically, a spatial and temporal knowledge of the plasma density and electrostatic field configuration is needed. Due to relatively low plasma densities, continuum fluid equations are not applicable. We propose instead a Particle-in-cell (PIC method, which allows the study of plasma behavior by computing the trajectories of finite-size particles under the action of an external and self-consistent electric field defined in a grid of points.

  2. Progress on the Development of the hPIC Particle-in-Cell Code

    Science.gov (United States)

    Dart, Cameron; Hayes, Alyssa; Khaziev, Rinat; Marcinko, Stephen; Curreli, Davide; Laboratory of Computational Plasma Physics Team

    2017-10-01

    Advancements were made in the development of the kinetic-kinetic electrostatic Particle-in-Cell code, hPIC, designed for large-scale simulation of the Plasma-Material Interface. hPIC achieved a weak scaling efficiency of 87% using the Algebraic Multigrid Solver BoomerAMG from the PETSc library on more than 64,000 cores of the Blue Waters supercomputer at the University of Illinois at Urbana-Champaign. The code successfully simulates two-stream instability and a volume of plasma over several square centimeters of surface extending out to the presheath in kinetic-kinetic mode. Results from a parametric study of the plasma sheath in strongly magnetized conditions will be presented, as well as a detailed analysis of the plasma sheath structure at grazing magnetic angles. The distribution function and its moments will be reported for plasma species in the simulation domain and at the material surface for plasma sheath simulations. Membership Pending.

  3. Deploying electromagnetic particle-in-cell (EM-PIC) codes on Xeon Phi accelerators boards

    Science.gov (United States)

    Fonseca, Ricardo

    2014-10-01

    The complexity of the phenomena involved in several relevant plasma physics scenarios, where highly nonlinear and kinetic processes dominate, makes purely theoretical descriptions impossible. Further understanding of these scenarios requires detailed numerical modeling, but fully relativistic particle-in-cell codes such as OSIRIS are computationally intensive. The quest towards Exaflop computer systems has lead to the development of HPC systems based on add-on accelerator cards, such as GPGPUs and more recently the Xeon Phi accelerators that power the current number 1 system in the world. These cards, also referred to as Intel Many Integrated Core Architecture (MIC) offer peak theoretical performances of >1 TFlop/s for general purpose calculations in a single board, and are receiving significant attention as an attractive alternative to CPUs for plasma modeling. In this work we report on our efforts towards the deployment of an EM-PIC code on a Xeon Phi architecture system. We will focus on the parallelization and vectorization strategies followed, and present a detailed performance evaluation of code performance in comparison with the CPU code.

  4. Electromagnetic particle-in-cell (PIC) method for modeling the formation of metal surface structures induced by femtosecond laser radiation

    Energy Technology Data Exchange (ETDEWEB)

    Djouder, M. [Laboratoire de Physique et Chimie Quantique, Université Mouloud Mammeri de Tizi-ouzou, BP 17 RP, 15000 Tizi-Ouzou (Algeria); Lamrous, O., E-mail: omarlamrous@mail.ummto.dz [Laboratoire de Physique et Chimie Quantique, Université Mouloud Mammeri de Tizi-ouzou, BP 17 RP, 15000 Tizi-Ouzou (Algeria); Mitiche, M.D. [Laboratoire de Physique et Chimie Quantique, Université Mouloud Mammeri de Tizi-ouzou, BP 17 RP, 15000 Tizi-Ouzou (Algeria); Itina, T.E. [Laboratoire Hubert Curien, UMR CNRS 5516/Université Jean Monnet, 18 rue de Professeur Benoît Lauras, 42000 Saint-Etienne (France); Zemirli, M. [Laboratoire de Physique et Chimie Quantique, Université Mouloud Mammeri de Tizi-ouzou, BP 17 RP, 15000 Tizi-Ouzou (Algeria)

    2013-09-01

    The particle in cell (PIC) method coupled to the finite-difference time-domain (FDTD) method is used to model the formation of laser induced periodic surface structures (LIPSS) at the early stage of femtosecond laser irradiation of smooth metal surface. The theoretical results were analyzed and compared with experimental data taken from the literature. It was shown that the optical properties of the target are not homogeneous and the ejection of electrons is such that ripples in the electron density were obtained. The Coulomb explosion mechanism was proposed to explain the ripples formation under the considered conditions.

  5. Electromagnetic particle-in-cell (PIC) method for modeling the formation of metal surface structures induced by femtosecond laser radiation

    International Nuclear Information System (INIS)

    Djouder, M.; Lamrous, O.; Mitiche, M.D.; Itina, T.E.; Zemirli, M.

    2013-01-01

    The particle in cell (PIC) method coupled to the finite-difference time-domain (FDTD) method is used to model the formation of laser induced periodic surface structures (LIPSS) at the early stage of femtosecond laser irradiation of smooth metal surface. The theoretical results were analyzed and compared with experimental data taken from the literature. It was shown that the optical properties of the target are not homogeneous and the ejection of electrons is such that ripples in the electron density were obtained. The Coulomb explosion mechanism was proposed to explain the ripples formation under the considered conditions.

  6. Towards the optimization of a gyrokinetic Particle-In-Cell (PIC) code on large-scale hybrid architectures

    International Nuclear Information System (INIS)

    Ohana, N; Lanti, E; Tran, T M; Brunner, S; Hariri, F; Villard, L; Jocksch, A; Gheller, C

    2016-01-01

    With the aim of enabling state-of-the-art gyrokinetic PIC codes to benefit from the performance of recent multithreaded devices, we developed an application from a platform called the “PIC-engine” [1, 2, 3] embedding simplified basic features of the PIC method. The application solves the gyrokinetic equations in a sheared plasma slab using B-spline finite elements up to fourth order to represent the self-consistent electrostatic field. Preliminary studies of the so-called Particle-In-Fourier (PIF) approach, which uses Fourier modes as basis functions in the periodic dimensions of the system instead of the real-space grid, show that this method can be faster than PIC for simulations with a small number of Fourier modes. Similarly to the PIC-engine, multiple levels of parallelism have been implemented using MPI+OpenMP [2] and MPI+OpenACC [1], the latter exploiting the computational power of GPUs without requiring complete code rewriting. It is shown that sorting particles [3] can lead to performance improvement by increasing data locality and vectorizing grid memory access. Weak scalability tests have been successfully run on the GPU-equipped Cray XC30 Piz Daint (at CSCS) up to 4,096 nodes. The reduced time-to-solution will enable more realistic and thus more computationally intensive simulations of turbulent transport in magnetic fusion devices. (paper)

  7. Response of plasma facing components in Tokamaks due to intense energy deposition using Particle-In-Cell (PIC) methods

    Science.gov (United States)

    Genco, Filippo

    Damage to plasma-facing components (PFC) due to various plasma instabilities is still a major concern for the successful development of fusion energy and represents a significant research obstacle in the community. It is of great importance to fully understand the behavior and lifetime expectancy of PFC under both low energy cycles during normal events and highly energetic events as disruptions, Edge-Localized Modes (ELM), Vertical Displacement Events (VDE), and Run-away electron (RE). The consequences of these high energetic dumps with energy fluxes ranging from 10 MJ/m2 up to 200 MJ/m 2 applied in very short periods (0.1 to 5 ms) can be catastrophic both for safety and economic reasons. Those phenomena can cause a) large temperature increase in the target material b) consequent melting, evaporation and erosion losses due to the extremely high heat fluxes c) possible structural damage and permanent degradation of the entire bulk material with probable burnout of the coolant tubes; d) plasma contamination, transport of target material into the chamber far from where it was originally picked. The modeling of off-normal events such as Disruptions and ELMs requires the simultaneous solution of three main problems along time: a) the heat transfer in the plasma facing component b) the interaction of the produced vapor from the surface with the incoming plasma particles c) the transport of the radiation produced in the vapor-plasma cloud. In addition the moving boundaries problem has to be considered and solved at the material surface. Considering the carbon divertor as target, the moving boundaries are two since for the given conditions, carbon doesn't melt: the plasma front and the moving eroded material surface. The current solution methods for this problem use finite differences and moving coordinates system based on the Crank-Nicholson method and Alternating Directions Implicit Method (ADI). Currently Particle-In-Cell (PIC) methods are widely used for solving

  8. High-Fidelity RF Gun Simulations with the Parallel 3D Finite Element Particle-In-Cell Code Pic3P

    Energy Technology Data Exchange (ETDEWEB)

    Candel, A; Kabel, A.; Lee, L.; Li, Z.; Limborg, C.; Ng, C.; Schussman, G.; Ko, K.; /SLAC

    2009-06-19

    SLAC's Advanced Computations Department (ACD) has developed the first parallel Finite Element 3D Particle-In-Cell (PIC) code, Pic3P, for simulations of RF guns and other space-charge dominated beam-cavity interactions. Pic3P solves the complete set of Maxwell-Lorentz equations and thus includes space charge, retardation and wakefield effects from first principles. Pic3P uses higher-order Finite Elementmethods on unstructured conformal meshes. A novel scheme for causal adaptive refinement and dynamic load balancing enable unprecedented simulation accuracy, aiding the design and operation of the next generation of accelerator facilities. Application to the Linac Coherent Light Source (LCLS) RF gun is presented.

  9. An alternative to the plasma emission model: Particle-in-cell, self-consistent electromagnetic wave emission simulations of solar type III radio bursts

    International Nuclear Information System (INIS)

    Tsiklauri, David

    2011-01-01

    High-resolution (sub-Debye length grid size and 10 000 particle species per cell), 1.5D particle-in-cell, relativistic, fully electromagnetic simulations are used to model electromagnetic wave emission generation in the context of solar type III radio bursts. The model studies generation of electromagnetic waves by a super-thermal, hot beam of electrons injected into a plasma thread that contains uniform longitudinal magnetic field and a parabolic density gradient. In effect, a single magnetic line connecting Sun to Earth is considered, for which five cases are studied. (i) We find that the physical system without a beam is stable and only low amplitude level electromagnetic drift waves (noise) are excited. (ii) The beam injection direction is controlled by setting either longitudinal or oblique electron initial drift speed, i.e., by setting the beam pitch angle (the angle between the beam velocity vector and the direction of background magnetic field). In the case of zero pitch angle, i.e., when v-vector b ·E-vector perpendicular =0, the beam excites only electrostatic, standing waves, oscillating at local plasma frequency, in the beam injection spatial location, and only low level electromagnetic drift wave noise is also generated. (iii) In the case of oblique beam pitch angles, i.e., when v-vector b ·E-vector perpendicular =0, again electrostatic waves with same properties are excited. However, now the beam also generates the electromagnetic waves with the properties commensurate to type III radio bursts. The latter is evidenced by the wavelet analysis of transverse electric field component, which shows that as the beam moves to the regions of lower density and hence lower plasma frequency, frequency of the electromagnetic waves drops accordingly. (iv) When the density gradient is removed, an electron beam with an oblique pitch angle still generates the electromagnetic radiation. However, in the latter case no frequency decrease is seen. (v) Since in most of

  10. Second-order particle-in-cell (PIC) computational method in the one-dimensional variable Eulerian mesh system

    International Nuclear Information System (INIS)

    Pyun, J.J.

    1981-01-01

    As part of an effort to incorporate the variable Eulerian mesh into the second-order PIC computational method, a truncation error analysis was performed to calculate the second-order error terms for the variable Eulerian mesh system. The results that the maximum mesh size increment/decrement is limited to be α(Δr/sub i/) 2 where Δr/sub i/ is a non-dimensional mesh size of the ith cell, and α is a constant of order one. The numerical solutions of Burgers' equation by the second-order PIC method in the variable Eulerian mesh system wer compared with its exact solution. It was found that the second-order accuracy in the PIC method was maintained under the above condition. Additional problems were analyzed using the second-order PIC methods in both variable and uniform Eulerian mesh systems. The results indicate that the second-order PIC method in the variable Eulerian mesh system can provide substantial computational time saving with no loss in accuracy

  11. Global Particle-in-Cell Simulations of Mercury's Magnetosphere

    Science.gov (United States)

    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.

  12. Parallel Finite Element Particle-In-Cell Code for Simulations of Space-charge Dominated Beam-Cavity Interactions

    International Nuclear Information System (INIS)

    Candel, A.; Kabel, A.; Ko, K.; Lee, L.; Li, Z.; Limborg, C.; Ng, C.; Prudencio, E.; Schussman, G.; Uplenchwar, R.

    2007-01-01

    Over the past years, SLAC's Advanced Computations Department (ACD) has developed the parallel finite element (FE) particle-in-cell code Pic3P (Pic2P) for simulations of beam-cavity interactions dominated by space-charge effects. As opposed to standard space-charge dominated beam transport codes, which are based on the electrostatic approximation, Pic3P (Pic2P) includes space-charge, retardation and boundary effects as it self-consistently solves the complete set of Maxwell-Lorentz equations using higher-order FE methods on conformal meshes. Use of efficient, large-scale parallel processing allows for the modeling of photoinjectors with unprecedented accuracy, aiding the design and operation of the next-generation of accelerator facilities. Applications to the Linac Coherent Light Source (LCLS) RF gun are presented

  13. 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

  14. Self-consistent study of space-charge-dominated beams in a misaligned transport system

    International Nuclear Information System (INIS)

    Sing Babu, P.; Goswami, A.; Pandit, V.S.

    2013-01-01

    A self-consistent particle-in-cell (PIC) simulation method is developed to investigate the dynamics of space-charge-dominated beams through a misaligned solenoid based transport system. Evolution of beam centroid, beam envelope and emittance is studied as a function of misalignment parameters for various types of beam distributions. Simulation results performed up to 40 mA of proton beam indicate that centroid oscillations induced by the displacement and rotational misalignments of solenoids do not depend of the beam distribution. It is shown that the beam envelope around the centroid is independent of the centroid motion for small centroid oscillation. In addition, we have estimated the loss of beam during the transport caused by the misalignment for various beam distributions

  15. An arbitrary curvilinear-coordinate method for particle-in-cell modeling

    International Nuclear Information System (INIS)

    Fichtl, C A; Finn, J M; Cartwright, K L

    2012-01-01

    A new approach to kinetic simulation of plasmas in complex geometries, based on the particle-in-cell (PIC) simulation method, is explored. In the two-dimensional (2D) electrostatic version of our method, called the arbitrary curvilinear-coordinate PIC method, all essential PIC operations are carried out in 2D on a uniform grid on the unit square logical domain, and mapped to a nonuniform boundary-fitted grid on the physical domain. As the resulting logical grid equations of motion are not separable, we have developed an extension of the semi-implicit modified leapfrog integration technique to preserve the symplectic nature of the logical grid particle mover. A generalized, curvilinear-coordinate formulation of Poisson's equations to solve for the electrostatic fields on the uniform logical grid is also developed. By our formulation, we compute the plasma charge density on the logical grid based on the particles' positions on the logical domain. That is, the plasma particles are weighted to the uniform logical grid and the self-consistent mean electrostatic fields obtained from the solution of the logical grid Poisson equation are interpolated to the particle positions on the logical grid. This process eliminates the complexity associated with the weighting and interpolation processes on the nonuniform physical grid and allows us to run the PIC method on arbitrary boundary-fitted meshes. (paper)

  16. 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

  17. Anomalous electron transport in Hall-effect thrusters: Comparison between quasi-linear kinetic theory and particle-in-cell simulations

    Science.gov (United States)

    Lafleur, T.; Martorelli, R.; Chabert, P.; Bourdon, A.

    2018-06-01

    Kinetic drift instabilities have been implicated as a possible mechanism leading to anomalous electron cross-field transport in E × B discharges, such as Hall-effect thrusters. Such instabilities, which are driven by the large disparity in electron and ion drift velocities, present a significant challenge to modelling efforts without resorting to time-consuming particle-in-cell (PIC) simulations. Here, we test aspects of quasi-linear kinetic theory with 2D PIC simulations with the aim of developing a self-consistent treatment of these instabilities. The specific quantities of interest are the instability growth rate (which determines the spatial and temporal evolution of the instability amplitude), and the instability-enhanced electron-ion friction force (which leads to "anomalous" electron transport). By using the self-consistently obtained electron distribution functions from the PIC simulations (which are in general non-Maxwellian), we find that the predictions of the quasi-linear kinetic theory are in good agreement with the simulation results. By contrast, the use of Maxwellian distributions leads to a growth rate and electron-ion friction force that is around 2-4 times higher, and consequently significantly overestimates the electron transport. A possible method for self-consistently modelling the distribution functions without requiring PIC simulations is discussed.

  18. A particle-in-cell method for modeling small angle Coulomb collisions in plasmas

    International Nuclear Information System (INIS)

    Parker, S.E.

    1989-01-01

    We propose a computational method to self-consistently model small angle collisional effects. This method may be added to standard Particle-In-Cell (PIC) plasma simulations to include collisions, or as an alternative to solving the Fokker-Planck (FP) equation using finite difference methods. The distribution function is represented by a large number of particles. The particle velocities change due to the drag force, and the diffusion in velocity is represented by a random process. This is similar to previous Monte-Carlo methods except we calculate the drag force and diffusion tensor self- consistently. The particles are weighted to a grid in velocity space and associated ''Poisson equations'' are solved for the Rosenbluth potentials. The motivation is to avoid the very time consuming method of Coulomb scattering pair by pair. First the approximation for small angle Coulomb collisions is discussed. Next, the FP-PIC collision method is outlined. Then we show a test of the particle advance modeling an electron beam scattering off a fixed ion background. 4 refs

  19. Recent advances in the modeling of plasmas with the Particle-In-Cell methods

    Science.gov (United States)

    Vay, Jean-Luc; Lehe, Remi; Vincenti, Henri; Godfrey, Brendan; Lee, Patrick; Haber, Irv

    2015-11-01

    The Particle-In-Cell (PIC) approach is the method of choice for self-consistent simulations of plasmas from first principles. The fundamentals of the PIC method were established decades ago but improvements or variations are continuously being proposed. We report on several recent advances in PIC related algorithms, including: (a) detailed analysis of the numerical Cherenkov instability and its remediation, (b) analytic pseudo-spectral electromagnetic solvers in Cartesian and cylindrical (with azimuthal modes decomposition) geometries, (c) arbitrary-order finite-difference and generalized pseudo-spectral Maxwell solvers, (d) novel analysis of Maxwell's solvers' stencil variation and truncation, in application to domain decomposition strategies and implementation of Perfectly Matched Layers in high-order and pseudo-spectral solvers. Work supported by US-DOE Contracts DE-AC02-05CH11231 and the US-DOE SciDAC program ComPASS. Used resources of NERSC, supported by US-DOE Contract DE-AC02-05CH11231.

  20. Particle-in-Cell Modeling of Magnetized Argon Plasma Flow Through Small Mechanical Apertures

    Energy Technology Data Exchange (ETDEWEB)

    Adam B. Sefkow and Samuel A. Cohen

    2009-04-09

    Motivated by observations of supersonic argon-ion flow generated by linear helicon-heated plasma devices, a three-dimensional particle-in-cell (PIC) code is used to study whether stationary electrostatic layers form near mechanical apertures intersecting the flow of magnetized plasma. By self-consistently evaluating the temporal evolution of the plasma in the vicinity of the aperture, the PIC simulations characterize the roles of the imposed aperture and applied magnetic field on ion acceleration. The PIC model includes ionization of a background neutral-argon population by thermal and superthermal electrons, the latter found upstream of the aperture. Near the aperture, a transition from a collisional to a collisionless regime occurs. Perturbations of density and potential, with mm wavelengths and consistent with ion acoustic waves, propagate axially. An ion acceleration region of length ~ 200-300 λD,e forms at the location of the aperture and is found to be an electrostatic double layer, with axially-separated regions of net positive and negative charge. Reducing the aperture diameter or increasing its length increases the double layer strength.

  1. Particle-in-Cell Modeling of Magnetized Argon Plasma Flow Through Small Mechanical Apertures

    International Nuclear Information System (INIS)

    Sefkow, Adam B.; Cohen, Samuel A.

    2009-01-01

    Motivated by observations of supersonic argon-ion flow generated by linear helicon-heated plasma devices, a three-dimensional particle-in-cell (PIC) code is used to study whether stationary electrostatic layers form near mechanical apertures intersecting the flow of magnetized plasma. By self-consistently evaluating the temporal evolution of the plasma in the vicinity of the aperture, the PIC simulations characterize the roles of the imposed aperture and applied magnetic field on ion acceleration. The PIC model includes ionization of a background neutral-argon population by thermal and superthermal electrons, the latter found upstream of the aperture. Near the aperture, a transition from a collisional to a collisionless regime occurs. Perturbations of density and potential, with mm wavelengths and consistent with ion acoustic waves, propagate axially. An ion acceleration region of length ∼ 200-300 λ D,e forms at the location of the aperture and is found to be an electrostatic double layer, with axially-separated regions of net positive and negative charge. Reducing the aperture diameter or increasing its length increases the double layer strength

  2. A fully kinetic, self-consistent particle simulation model of the collisionless plasma--sheath region

    International Nuclear Information System (INIS)

    Procassini, R.J.; Birdsall, C.K.; Morse, E.C.

    1990-01-01

    A fully kinetic particle-in-cell (PIC) model is used to self-consistently determine the steady-state potential profile in a collisionless plasma that contacts a floating, absorbing boundary. To balance the flow of particles to the wall, a distributed source region is used to inject particles into the one-dimensional system. The effect of the particle source distribution function on the source region and collector sheath potential drops, and particle velocity distributions is investigated. The ion source functions proposed by Emmert et al. [Phys. Fluids 23, 803 (1980)] and Bissell and Johnson [Phys. Fluids 30, 779 (1987)] (and various combinations of these) are used for the injection of both ions and electrons. The values of the potential drops obtained from the PIC simulations are compared to those from the theories of Emmert et al., Bissell and Johnson, and Scheuer and Emmert [Phys. Fluids 31, 3645 (1988)], all of which assume that the electron density is related to the plasma potential via the Boltzmann relation. The values of the source region and total potential drop are found to depend on the choice of the electron source function, as well as the ion source function. The question of an infinite electric field at the plasma--sheath interface, which arises in the analyses of Bissell and Johnson and Scheuer and Emmert, is also addressed

  3. Numerical experiments on unstructured PIC stability.

    Energy Technology Data Exchange (ETDEWEB)

    Day, David Minot

    2011-04-01

    Particle-In-Cell (PIC) is a method for plasmas simulation. Particles are pushed with Verlet time integration. Fields are modeled using finite differences on a tensor product mesh (cells). The Unstructured PIC methods studied here use instead finite element discretizations on unstructured (simplicial) meshes. PIC is constrained by stability limits (upper bounds) on mesh and time step sizes. Numerical evidence (2D) and analysis will be presented showing that similar bounds constrain unstructured PIC.

  4. Initial Self-Consistent 3D Electron-Cloud Simulations of the LHC Beam with the Code WARP+POSINST

    International Nuclear Information System (INIS)

    Vay, J; Furman, M A; Cohen, R H; Friedman, A; Grote, D P

    2005-01-01

    We present initial results for the self-consistent beam-cloud dynamics simulations for a sample LHC beam, using a newly developed set of modeling capability based on a merge [1] of the three-dimensional parallel Particle-In-Cell (PIC) accelerator code WARP [2] and the electron-cloud code POSINST [3]. Although the storage ring model we use as a test bed to contain the beam is much simpler and shorter than the LHC, its lattice elements are realistically modeled, as is the beam and the electron cloud dynamics. The simulated mechanisms for generation and absorption of the electrons at the walls are based on previously validated models available in POSINST [3, 4

  5. Computer-assisted Particle-in-Cell code development

    International Nuclear Information System (INIS)

    Kawata, S.; Boonmee, C.; Teramoto, T.; Drska, L.; Limpouch, J.; Liska, R.; Sinor, M.

    1997-12-01

    This report presents a new approach for an electromagnetic Particle-in-Cell (PIC) code development by a computer: in general PIC codes have a common structure, and consist of a particle pusher, a field solver, charge and current density collections, and a field interpolation. Because of the common feature, the main part of the PIC code can be mechanically developed on a computer. In this report we use the packages FIDE and GENTRAN of the REDUCE computer algebra system for discretizations of field equations and a particle equation, and for an automatic generation of Fortran codes. The approach proposed is successfully applied to the development of 1.5-dimensional PIC code. By using the generated PIC code the Weibel instability in a plasma is simulated. The obtained growth rate agrees well with the theoretical value. (author)

  6. Self-consistent quark bags

    International Nuclear Information System (INIS)

    Rafelski, J.

    1979-01-01

    After an introductory overview of the bag model the author uses the self-consistent solution of the coupled Dirac-meson fields to represent a bound state of strongly ineteracting fermions. In this framework he discusses the vivial approach to classical field equations. After a short description of the used numerical methods the properties of bound states of scalar self-consistent Fields and the solutions of a self-coupled Dirac field are considered. (HSI) [de

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

    International Nuclear Information System (INIS)

    Rantamaeki, K.

    1998-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Rantamaeki, K

    1998-07-01

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

  9. Electromagnetic direct implicit PIC simulation

    International Nuclear Information System (INIS)

    Langdon, A.B.

    1983-01-01

    Interesting modelling of intense electron flow has been done with implicit particle-in-cell simulation codes. In this report, the direct implicit PIC simulation approach is applied to simulations that include full electromagnetic fields. The resulting algorithm offers advantages relative to moment implicit electromagnetic algorithms and may help in our quest for robust and simpler implicit codes

  10. Fast, kinetically self-consistent simulation of RF modulated plasma boundary sheaths

    International Nuclear Information System (INIS)

    Shihab, Mohammed; Ziegler, Dennis; Brinkmann, Ralf Peter

    2012-01-01

    A mathematical model is presented which enables the efficient, kinetically self-consistent simulation of RF modulated plasma boundary sheaths in all technically relevant discharge regimes. It is defined on a one-dimensional geometry where a Cartesian x-axis points from the electrode or wall at x E ≡ 0 towards the plasma bulk. An arbitrary endpoint x B is chosen ‘deep in the bulk’. The model consists of a set of kinetic equations for the ions, Boltzmann's relation for the electrons and Poisson's equation for the electrical field. Boundary conditions specify the ion flux at x B and a periodically—not necessarily harmonically—modulated sheath voltage V(t) or sheath charge Q(t). The equations are solved in a statistical sense. However, it is not the well-known particle-in-cell (PIC) scheme that is employed, but an alternative iterative algorithm termed ensemble-in-spacetime (EST). The basis of the scheme is a discretization of the spacetime, the product of the domain [x E , x B ] and the RF period [0, T]. Three modules are called in a sequence. A Monte Carlo module calculates the trajectories of a large set of ions from their start at x B until they reach the electrode at x E , utilizing the potential values on the nodes of the spatio-temporal grid. A harmonic analysis module reconstructs the Fourier modes n im (x) of the ion density n i (x, t) from the calculated trajectories. A field module finally solves the Boltzmann-Poisson equation with the calculated ion densities to generate an updated set of potential values for the spatio-temporal grid. The iteration is started with the potential values of a self-consistent fluid model and terminates when the updates become sufficiently small, i.e. when self-consistency is achieved. A subsequent post-processing determines important quantities, in particular the phase-resolved and phase-averaged values of the ion energy and angular distributions and the total energy flux at the electrode. A drastic reduction of the

  11. 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

  12. Sparse grid techniques for particle-in-cell schemes

    Science.gov (United States)

    Ricketson, L. F.; Cerfon, A. J.

    2017-02-01

    We propose the use of sparse grids to accelerate particle-in-cell (PIC) schemes. By using the so-called ‘combination technique’ from the sparse grids literature, we are able to dramatically increase the size of the spatial cells in multi-dimensional PIC schemes while paying only a slight penalty in grid-based error. The resulting increase in cell size allows us to reduce the statistical noise in the simulation without increasing total particle number. We present initial proof-of-principle results from test cases in two and three dimensions that demonstrate the new scheme’s efficiency, both in terms of computation time and memory usage.

  13. Self-consistent radial sheath

    International Nuclear Information System (INIS)

    Hazeltine, R.D.

    1988-12-01

    The boundary layer arising in the radial vicinity of a tokamak limiter is examined, with special reference to the TEXT tokamak. It is shown that sheath structure depends upon the self-consistent effects of ion guiding-center orbit modification, as well as the radial variation of E /times/ B-induced toroidal rotation. Reasonable agreement with experiment is obtained from an idealized model which, however simplified, preserves such self-consistent effects. It is argued that the radial sheath, which occurs whenever confining magnetic field-lines lie in the plasma boundary surface, is an object of some intrinsic interest. It differs from the more familiar axial sheath because magnetized charges respond very differently to parallel and perpendicular electric fields. 11 refs., 1 fig

  14. QUICKSILVER - A general tool for electromagnetic PIC simulation

    International Nuclear Information System (INIS)

    Seidel, David B.; Coats, Rebecca S.; Johnson, William A.; Kiefer, Mark L.; Mix, L. Paul; Pasik, Michael F.; Pointon, Timothy D.; Quintenz, Jeffrey P.; Riley, Douglas J.; Turner, C. David

    1997-01-01

    The dramatic increase in computational capability that has occurred over the last ten years has allowed fully electromagnetic simulations of large, complex, three-dimensional systems to move progressively from impractical, to expensive, and recently, to routine and widespread. This is particularly true for systems that require the motion of free charge to be self-consistently treated. The QUICKSILVER electromagnetic Particle-In-Cell (EM-PIC) code has been developed at Sandia National Laboratories to provide a general tool to simulate a wide variety of such systems. This tool has found widespread use for many diverse applications, including high-current electron and ion diodes, magnetically insulated power transmission systems, high-power microwave oscillators, high-frequency digital and analog integrated circuit packages, microwave integrated circuit components, antenna systems, radar cross-section applications, and electromagnetic interaction with biological material. This paper will give a brief overview of QUICKSILVER and provide some thoughts on its future development

  15. The Particle-in-Cell and Kinetic Simulation Software Center

    Science.gov (United States)

    Mori, W. B.; Decyk, V. K.; Tableman, A.; Fonseca, R. A.; Tsung, F. S.; Hu, Q.; Winjum, B. J.; An, W.; Dalichaouch, T. N.; Davidson, A.; Hildebrand, L.; Joglekar, A.; May, J.; Miller, K.; Touati, M.; Xu, X. L.

    2017-10-01

    The UCLA Particle-in-Cell and Kinetic Simulation Software Center (PICKSC) aims to support an international community of PIC and plasma kinetic software developers, users, and educators; to increase the use of this software for accelerating the rate of scientific discovery; and to be a repository of knowledge and history for PIC. We discuss progress towards making available and documenting illustrative open-source software programs and distinct production programs; developing and comparing different PIC algorithms; coordinating the development of resources for the educational use of kinetic software; and the outcomes of our first sponsored OSIRIS users workshop. We also welcome input and discussion from anyone interested in using or developing kinetic software, in obtaining access to our codes, in collaborating, in sharing their own software, or in commenting on how PICKSC can better serve the DPP community. Supported by NSF under Grant ACI-1339893 and by the UCLA Institute for Digital Research and Education.

  16. Thrust calculation of electric solar wind sail by particle-in-cell simulation

    Energy Technology Data Exchange (ETDEWEB)

    Hoshi, Kento [Kyoto Univ. (Japan). Dept. of Electrical Engineering; Kojima, Hirotsugu; Yamakawa, Hiroshi [Kyoto Univ. (Japan). Research Inst. for Sustainable Humanosphere; Muranaka, Takanobu [Chukyo Univ., Nagoya (Japan). Dept. of Electrical Engineering

    2016-07-01

    In this study, thrust characteristics of an electric solar wind sail were numerically evaluated using full threedimensional particle-in-cell (PIC) simulation. The thrust obtained from the PIC simulation was lower than the thrust estimations obtained in previous studies. The PIC simulation indicated that ambient electrons strongly shield the electrostatic potential of the tether of the sail, and the strong shield effect causes a greater thrust reduction than has been obtained in previous studies. Additionally, previous expressions of the thrust estimation were modified by using the shielded potential structure derived from the present simulation results. The modified thrust estimation agreed very well with the thrust obtained from the PIC simulation.

  17. Thrust calculation of electric solar wind sail by particle-in-cell simulation

    International Nuclear Information System (INIS)

    Hoshi, Kento; Kojima, Hirotsugu; Yamakawa, Hiroshi; Muranaka, Takanobu

    2016-01-01

    In this study, thrust characteristics of an electric solar wind sail were numerically evaluated using full threedimensional particle-in-cell (PIC) simulation. The thrust obtained from the PIC simulation was lower than the thrust estimations obtained in previous studies. The PIC simulation indicated that ambient electrons strongly shield the electrostatic potential of the tether of the sail, and the strong shield effect causes a greater thrust reduction than has been obtained in previous studies. Additionally, previous expressions of the thrust estimation were modified by using the shielded potential structure derived from the present simulation results. The modified thrust estimation agreed very well with the thrust obtained from the PIC simulation.

  18. Role of positive ions on the surface production of negative ions in a fusion plasma reactor type negative ion source--Insights from a three dimensional particle-in-cell Monte Carlo collisions model

    Science.gov (United States)

    Fubiani, G.; Boeuf, J. P.

    2013-11-01

    Results from a 3D self-consistent Particle-In-Cell Monte Carlo Collisions (PIC MCC) model of a high power fusion-type negative ion source are presented for the first time. The model is used to calculate the plasma characteristics of the ITER prototype BATMAN ion source developed in Garching. Special emphasis is put on the production of negative ions on the plasma grid surface. The question of the relative roles of the impact of neutral hydrogen atoms and positive ions on the cesiated grid surface has attracted much attention recently and the 3D PIC MCC model is used to address this question. The results show that the production of negative ions by positive ion impact on the plasma grid is small with respect to the production by atomic hydrogen or deuterium bombardment (less than 10%).

  19. Role of positive ions on the surface production of negative ions in a fusion plasma reactor type negative ion source—Insights from a three dimensional particle-in-cell Monte Carlo collisions model

    International Nuclear Information System (INIS)

    Fubiani, G.; Boeuf, J. P.

    2013-01-01

    Results from a 3D self-consistent Particle-In-Cell Monte Carlo Collisions (PIC MCC) model of a high power fusion-type negative ion source are presented for the first time. The model is used to calculate the plasma characteristics of the ITER prototype BATMAN ion source developed in Garching. Special emphasis is put on the production of negative ions on the plasma grid surface. The question of the relative roles of the impact of neutral hydrogen atoms and positive ions on the cesiated grid surface has attracted much attention recently and the 3D PIC MCC model is used to address this question. The results show that the production of negative ions by positive ion impact on the plasma grid is small with respect to the production by atomic hydrogen or deuterium bombardment (less than 10%)

  20. Review of particle-in-cell modeling for the extraction region of large negative hydrogen ion sources for fusion

    Science.gov (United States)

    Wünderlich, D.; Mochalskyy, S.; Montellano, I. M.; Revel, A.

    2018-05-01

    Particle-in-cell (PIC) codes are used since the early 1960s for calculating self-consistently the motion of charged particles in plasmas, taking into account external electric and magnetic fields as well as the fields created by the particles itself. Due to the used very small time steps (in the order of the inverse plasma frequency) and mesh size, the computational requirements can be very high and they drastically increase with increasing plasma density and size of the calculation domain. Thus, usually small computational domains and/or reduced dimensionality are used. In the last years, the available central processing unit (CPU) power strongly increased. Together with a massive parallelization of the codes, it is now possible to describe in 3D the extraction of charged particles from a plasma, using calculation domains with an edge length of several centimeters, consisting of one extraction aperture, the plasma in direct vicinity of the aperture, and a part of the extraction system. Large negative hydrogen or deuterium ion sources are essential parts of the neutral beam injection (NBI) system in future fusion devices like the international fusion experiment ITER and the demonstration reactor (DEMO). For ITER NBI RF driven sources with a source area of 0.9 × 1.9 m2 and 1280 extraction apertures will be used. The extraction of negative ions is accompanied by the co-extraction of electrons which are deflected onto an electron dump. Typically, the maximum negative extracted ion current is limited by the amount and the temporal instability of the co-extracted electrons, especially for operation in deuterium. Different PIC codes are available for the extraction region of large driven negative ion sources for fusion. Additionally, some effort is ongoing in developing codes that describe in a simplified manner (coarser mesh or reduced dimensionality) the plasma of the whole ion source. The presentation first gives a brief overview of the current status of the ion

  1. Implementing particle-in-cell plasma simulation code on the BBN TC2000

    International Nuclear Information System (INIS)

    Sturtevant, J.E.; Maccabe, A.B.

    1990-01-01

    The BBN TC2000 is a multiple instruction, multiple data (MIMD) machine that combines a physically distributed memory with a logically shared memory programming environment using the unique Butterfly switch. Particle-In-Cell (PIC) plasma simulations model the interaction of charged particles with electric and magnetic fields. This paper describes the implementation of both a 1-D electrostatic and a 2 1/2-D electromagnetic PIC (particle-in-cell) plasma simulation code on a BBN TC2000. Performance is compared to implementations of the same code on the shared memory Sequent Balance and distributed memory Intel iPSC hypercube

  2. Comparison of multi-fluid moment models with particle-in-cell simulations of collisionless magnetic reconnection

    International Nuclear Information System (INIS)

    Wang, Liang; Germaschewski, K.; Hakim, Ammar H.; Bhattacharjee, A.

    2015-01-01

    We introduce an extensible multi-fluid moment model in the context of collisionless magnetic reconnection. This model evolves full Maxwell equations and simultaneously moments of the Vlasov-Maxwell equation for each species in the plasma. Effects like electron inertia and pressure gradient are self-consistently embedded in the resulting multi-fluid moment equations, without the need to explicitly solving a generalized Ohm's law. Two limits of the multi-fluid moment model are discussed, namely, the five-moment limit that evolves a scalar pressures for each species and the ten-moment limit that evolves the full anisotropic, non-gyrotropic pressure tensor for each species. We first demonstrate analytically and numerically that the five-moment model reduces to the widely used Hall magnetohydrodynamics (Hall MHD) model under the assumptions of vanishing electron inertia, infinite speed of light, and quasi-neutrality. Then, we compare ten-moment and fully kinetic particle-in-cell (PIC) simulations of a large scale Harris sheet reconnection problem, where the ten-moment equations are closed with a local linear collisionless approximation for the heat flux. The ten-moment simulation gives reasonable agreement with the PIC results regarding the structures and magnitudes of the electron flows, the polarities and magnitudes of elements of the electron pressure tensor, and the decomposition of the generalized Ohm's law. Possible ways to improve the simple local closure towards a nonlocal fully three-dimensional closure are also discussed

  3. Current-Sheet Formation and Reconnection at a Magnetic X Line in Particle-in-Cell Simulations

    Science.gov (United States)

    Black, C.; Antiochos, S. K.; Hesse, M.; Karpen, J. T.; Kuznetsova, M. M.; Zenitani, S.

    2011-01-01

    The integration of kinetic effects into macroscopic numerical models is currently of great interest to the heliophysics community, particularly in the context of magnetic reconnection. Reconnection governs the large-scale energy release and topological rearrangement of magnetic fields in a wide variety of laboratory, heliophysical, and astrophysical systems. We are examining the formation and reconnection of current sheets in a simple, two-dimensional X-line configuration using high-resolution particle-in-cell (PIC) simulations. The initial minimum-energy, potential magnetic field is perturbed by excess thermal pressure introduced into the particle distribution function far from the X line. Subsequently, the relaxation of this added stress leads self-consistently to the development of a current sheet that reconnects for imposed stress of sufficient strength. We compare the time-dependent evolution and final state of our PIC simulations with macroscopic magnetohydrodynamic simulations assuming both uniform and localized electrical resistivities (C. R. DeVore et al., this meeting), as well as with force-free magnetic-field equilibria in which the amount of reconnection across the X line can be constrained to be zero (ideal evolution) or optimal (minimum final magnetic energy). We will discuss implications of our results for understanding magnetic-reconnection onset and cessation at kinetic scales in dynamically formed current sheets, such as those occurring in the solar corona and terrestrial magnetotail.

  4. Dynamic load balancing in a concurrent plasma PIC code on the JPL/Caltech Mark III hypercube

    International Nuclear Information System (INIS)

    Liewer, P.C.; Leaver, E.W.; Decyk, V.K.; Dawson, J.M.

    1990-01-01

    Dynamic load balancing has been implemented in a concurrent one-dimensional electromagnetic plasma particle-in-cell (PIC) simulation code using a method which adds very little overhead to the parallel code. In PIC codes, the orbits of many interacting plasma electrons and ions are followed as an initial value problem as the particles move in electromagnetic fields calculated self-consistently from the particle motions. The code was implemented using the GCPIC algorithm in which the particles are divided among processors by partitioning the spatial domain of the simulation. The problem is load-balanced by partitioning the spatial domain so that each partition has approximately the same number of particles. During the simulation, the partitions are dynamically recreated as the spatial distribution of the particles changes in order to maintain processor load balance

  5. Young gamma-ray pulsar: from modeling the gamma-ray emission to the particle-in-cell simulations of the global magnetosphere

    Science.gov (United States)

    Brambilla, Gabriele; Kalapotharakos, Constantions; Timokhin, Andrey; Kust Harding, Alice; Kazanas, Demosthenes

    2016-04-01

    Accelerated charged particles flowing in the magnetosphere produce pulsar gamma-ray emission. Pair creation processes produce an electron-positron plasma that populates the magnetosphere, in which the plasma is very close to force-free. However, it is unknown how and where the plasma departs from the ideal force-free condition, which consequently inhibits the understanding of the emission generation. We found that a dissipative magnetosphere outside the light cylinder effectively reproduces many aspects of the young gamma-ray pulsar emission as seen by the Fermi Gamma-ray Space Telescope, and through particle-in-cell simulations (PIC), we started explaining this configuration self-consistently. These findings show that, together, a magnetic field structure close to force-free and the assumption of gamma-ray curvature radiation as the emission mechanism are strongly compatible with the observations. Two main issues from the previously used models that our work addresses are the inability to explain luminosity, spectra, and light curve features at the same time and the inconsistency of the electrodynamics. Moreover, using the PIC simulations, we explore the effects of different pair multiplicities on the magnetosphere configurations and the locations of the accelerating regions. Our work aims for a self-consistent modeling of the magnetosphere, connecting the microphysics of the pair-plasma to the global magnetosphere macroscopic quantities. This direction will lead to a greater understanding of pulsar emission at all wavelengths, as well as to concrete insights into the physics of the magnetosphere.

  6. Gyrokinetic particle-in-cell simulations of plasma microturbulence on advanced computing platforms

    International Nuclear Information System (INIS)

    Ethier, S; Tang, W M; Lin, Z

    2005-01-01

    Since its introduction in the early 1980s, the gyrokinetic particle-in-cell (PIC) method has been very successfully applied to the exploration of many important kinetic stability issues in magnetically confined plasmas. Its self-consistent treatment of charged particles and the associated electromagnetic fluctuations makes this method appropriate for studying enhanced transport driven by plasma turbulence. Advances in algorithms and computer hardware have led to the development of a parallel, global, gyrokinetic code in full toroidal geometry, the gyrokinetic toroidal code (GTC), developed at the Princeton Plasma Physics Laboratory. It has proven to be an invaluable tool to study key effects of low-frequency microturbulence in fusion plasmas. As a high-performance computing applications code, its flexible mixed-model parallel algorithm has allowed GTC to scale to over a thousand processors, which is routinely used for simulations. Improvements are continuously being made. As the US ramps up its support for the International Tokamak Experimental Reactor (ITER), the need for understanding the impact of turbulent transport in burning plasma fusion devices is of utmost importance. Accordingly, the GTC code is at the forefront of the set of numerical tools being used to assess and predict the performance of ITER on critical issues such as the efficiency of energy confinement in reactors

  7. Progress of laser-plasma interaction simulations with the particle-in-cell code

    International Nuclear Information System (INIS)

    Sakagami, Hitoshi; Kishimoto, Yasuaki; Sentoku, Yasuhiko; Taguchi, Toshihiro

    2005-01-01

    As the laser-plasma interaction is a non-equilibrium, non-linear and relativistic phenomenon, we must introduce a microscopic method, namely, the relativistic electromagnetic PIC (Particle-In-Cell) simulation code. The PIC code requires a huge number of particles to validate simulation results, and its task is very computation-intensive. Thus simulation researches by the PIC code have been progressing along with advances in computer technology. Recently, parallel computers with tremendous computational power have become available, and thus we can perform three-dimensional PIC simulations for the laser-plasma interaction to investigate laser fusion. Some simulation results are shown with figures. We discuss a recent trend of large-scale PIC simulations that enable direct comparison between experimental facts and computational results. We also discharge/lightning simulations by the extended PIC code, which include various atomic and relaxation processes. (author)

  8. Two-way coupling of magnetohydrodynamic simulations with embedded particle-in-cell simulations

    Science.gov (United States)

    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.

  9. 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.

  10. Self-consistent kinetic simulations of lower hybrid drift instability resulting in electron current driven by fusion products in tokamak plasmas

    International Nuclear Information System (INIS)

    Cook, J W S; Chapman, S C; Dendy, R O; Brady, C S

    2011-01-01

    We present particle-in-cell (PIC) simulations of minority energetic protons in deuterium plasmas, which demonstrate a collective instability responsible for emission near the lower hybrid frequency and its harmonics. The simulations capture the lower hybrid drift instability in a parameter regime motivated by tokamak fusion plasma conditions, and show further that the excited electromagnetic fields collectively and collisionlessly couple free energy from the protons to directed electron motion. This results in an asymmetric tail antiparallel to the magnetic field. We focus on obliquely propagating modes excited by energetic ions, whose ring-beam distribution is motivated by population inversions related to ion cyclotron emission, in a background plasma with a temperature similar to that of the core of a large tokamak plasma. A fully self-consistent electromagnetic relativistic PIC code representing all vector field quantities and particle velocities in three dimensions as functions of a single spatial dimension is used to model this situation, by evolving the initial antiparallel travelling ring-beam distribution of 3 MeV protons in a background 10 keV Maxwellian deuterium plasma with realistic ion-electron mass ratio. These simulations provide a proof-of-principle for a key plasma physics process that may be exploited in future alpha channelling scenarios for magnetically confined burning plasmas.

  11. 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.

  12. Boltzmann electron PIC simulation of the E-sail effect

    Directory of Open Access Journals (Sweden)

    P. Janhunen

    2015-12-01

    Full Text Available The solar wind electric sail (E-sail is a planned in-space propulsion device that uses the natural solar wind momentum flux for spacecraft propulsion with the help of long, charged, centrifugally stretched tethers. The problem of accurately predicting the E-sail thrust is still somewhat open, however, due to a possible electron population trapped by the tether. Here we develop a new type of particle-in-cell (PIC simulation for predicting E-sail thrust. In the new simulation, electrons are modelled as a fluid, hence resembling hybrid simulation, but in contrast to normal hybrid simulation, the Poisson equation is used as in normal PIC to calculate the self-consistent electrostatic field. For electron-repulsive parts of the potential, the Boltzmann relation is used. For electron-attractive parts of the potential we employ a power law which contains a parameter that can be used to control the number of trapped electrons. We perform a set of runs varying the parameter and select the one with the smallest number of trapped electrons which still behaves in a physically meaningful way in the sense of producing not more than one solar wind ion deflection shock upstream of the tether. By this prescription we obtain thrust per tether length values that are in line with earlier estimates, although somewhat smaller. We conclude that the Boltzmann PIC simulation is a new tool for simulating the E-sail thrust. This tool enables us to calculate solutions rapidly and allows to easily study different scenarios for trapped electrons.

  13. Translationally invariant self-consistent field theories

    International Nuclear Information System (INIS)

    Shakin, C.M.; Weiss, M.S.

    1977-01-01

    We present a self-consistent field theory which is translationally invariant. The equations obtained go over to the usual Hartree-Fock equations in the limit of large particle number. In addition to deriving the dynamic equations for the self-consistent amplitudes we discuss the calculation of form factors and various other observables

  14. Study of effect of grain size on dust charging in an RF plasma using three-dimensional PIC-MCC simulations

    International Nuclear Information System (INIS)

    Ikkurthi, V. R.; Melzer, A.; Matyash, K.; Schneider, R.

    2008-01-01

    A 3-dimensional Particle-Particle Particle-Mesh (P 3 M) code is applied to study the charging process of micrometer size dust grains confined in a capacitive RF discharge. In our model, particles (electrons and ions) are treated kinetically (Particle-in-Cell with Monte Carlo Collisions (PIC-MCC)). In order to accurately resolve the plasma particles' motion close to the dust grain, the PIC technique is supplemented with Molecular Dynamics (MD), employing an an analytic electrostatic potential for the interaction with the dust grain. This allows to self-consistently resolve the dust grain charging due to absorption of plasma electrons and ions. The charging of dust grains confined above lower electrode in a capacitive RF discharge and its dependence on the size and position of the dust is investigated. The results have been compared with laboratory measurements

  15. Self-consistent electron transport in collisional plasmas

    International Nuclear Information System (INIS)

    Mason, R.J.

    1982-01-01

    A self-consistent scheme has been developed to model electron transport in evolving plasmas of arbitrary classical collisionality. The electrons and ions are treated as either multiple donor-cell fluids, or collisional particles-in-cell. Particle suprathermal electrons scatter off ions, and drag against fluid background thermal electrons. The background electrons undergo ion friction, thermal coupling, and bremsstrahlung. The components move in self-consistent advanced E-fields, obtained by the Implicit Moment Method, which permits Δt >> ω/sub p/ -1 and Δx >> lambda/sub D/ - offering a 10 2 - 10 3 -fold speed-up over older explicit techniques. The fluid description for the background plasma components permits the modeling of transport in systems spanning more than a 10 7 -fold change in density, and encompassing contiguous collisional and collisionless regions. Results are presented from application of the scheme to the modeling of CO 2 laser-generated suprathermal electron transport in expanding thin foils, and in multi-foil target configurations

  16. Exactly energy conserving semi-implicit particle in cell formulation

    International Nuclear Information System (INIS)

    Lapenta, Giovanni

    2017-01-01

    We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. Recent research has presented fully implicit methods where energy conservation is obtained as part of a non-linear iteration procedure. The new method (referred to as Energy Conserving Semi-Implicit Method, ECSIM), instead, does not require any non-linear iteration and its computational cycle is similar to that of explicit PIC. The properties of the new method are: i) it conserves energy exactly to round-off for any time step or grid spacing; ii) it is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency and allowing the user to select any desired time step; iii) it eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length; iv) the particle mover has a computational complexity identical to that of the explicit PIC, only the field solver has an increased computational cost. The new ECSIM is tested in a number of benchmarks where accuracy and computational performance are tested. - Highlights: • We present a new fully energy conserving semi-implicit particle in cell (PIC) method based on the implicit moment method (IMM). The new method is called Energy Conserving Implicit Moment Method (ECIMM). • The novelty of the new method is that unlike any of its predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. • The new method is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency. • The new method eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length. • These

  17. Exactly energy conserving semi-implicit particle in cell formulation

    Energy Technology Data Exchange (ETDEWEB)

    Lapenta, Giovanni, E-mail: giovanni.lapenta@kuleuven.be

    2017-04-01

    We report a new particle in cell (PIC) method based on the semi-implicit approach. The novelty of the new method is that unlike any of its semi-implicit predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. Recent research has presented fully implicit methods where energy conservation is obtained as part of a non-linear iteration procedure. The new method (referred to as Energy Conserving Semi-Implicit Method, ECSIM), instead, does not require any non-linear iteration and its computational cycle is similar to that of explicit PIC. The properties of the new method are: i) it conserves energy exactly to round-off for any time step or grid spacing; ii) it is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency and allowing the user to select any desired time step; iii) it eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length; iv) the particle mover has a computational complexity identical to that of the explicit PIC, only the field solver has an increased computational cost. The new ECSIM is tested in a number of benchmarks where accuracy and computational performance are tested. - Highlights: • We present a new fully energy conserving semi-implicit particle in cell (PIC) method based on the implicit moment method (IMM). The new method is called Energy Conserving Implicit Moment Method (ECIMM). • The novelty of the new method is that unlike any of its predecessors at the same time it retains the explicit computational cycle and conserves energy exactly. • The new method is unconditionally stable in time, freeing the user from the need to resolve the electron plasma frequency. • The new method eliminates the constraint of the finite grid instability, allowing the user to select any desired resolution without being forced to resolve the Debye length. • These

  18. Self-consistent areas law in QCD

    International Nuclear Information System (INIS)

    Makeenko, Yu.M.; Migdal, A.A.

    1980-01-01

    The problem of obtaining the self-consistent areas law in quantum chromodynamics (QCD) is considered from the point of view of the quark confinement. The exact equation for the loop average in multicolor QCD is reduced to a bootstrap form. Its iterations yield new manifestly gauge invariant perturbation theory in the loop space, reproducing asymptotic freedom. For large loops, the areas law apprears to be a self-consistent solution

  19. Toward fully self-consistent simulation of the interaction of E-Clouds and beams with WARP-POSINST

    International Nuclear Information System (INIS)

    Furman, M.A.; Furman, M.A.; Celata, C.M.; Sonnad, K.; Venturini, M.; Cohen, R.H.; Friedman, A.; Grote, D.P.; Vay, J.-L.

    2007-01-01

    To predict the evolution of electron clouds and their effect on the beam, the high energy physics community has relied so far on the complementary use of 'buildup' and 'single/multi-bunch instability' reduced descriptions. The former describes the evolution of electron clouds at a given location in the ring, or 'station', under the influence of prescribed beams and external fields [1], while the latter (sometimes also referred as the 'quasi-static' approximation [2]) follows the interaction between the beams and the electron clouds around the accelerator with prescribed initial distributions of electrons, assumed to be concentrated at a number of discrete 'stations' around the ring. Examples of single bunch instability codes include HEADTAIL [3], QuickPIC [4, 5], and PEHTS [6]. By contrast, a fully self-consistent approach, in which both the electron cloud and beam distributions evolve simultaneously under their mutual influence without any restriction on their relative motion, is required for modeling the interaction of high-intensity beams with electron clouds for heavy-ion beam-driven fusion and warm-dense matter science. This community has relied on the use of Particle-In-Cell (PIC) methods through the development and use of the WARP-POSINST code suite [1, 7, 8]. The development of novel numerical techniques (including adaptive mesh refinement, and a new 'drift-Lorentz' particle mover for tracking charged particles in magnetic fields using large time steps) has enabled the first application of WARP-POSINST to the fully self-consistent modeling of beams and electron clouds in high energy accelerators [9], albeit for only a few betatron oscillations. It was recently observed [10] that there exists a preferred frame of reference which minimizes the number of computer operations needed to simulate the interaction of relativistic objects. This opens the possibility of reducing the cost of fully self-consistent simulations for the interaction of ultrarelativistic

  20. Self-consistent Analysis of Three-dimensional Uniformly Charged Ellipsoid with Zero Emittance

    International Nuclear Information System (INIS)

    Batygin, Yuri K.

    2001-01-01

    A self-consistent treatment of a three-dimensional ellipsoid with negligible emittance in time-dependent external field is performed. Envelope equations describing the evolution of an ellipsoid boundary are discussed. For a complete model it is required that the initial particle momenta be a linear function of the coordinates. Numerical example and verification of the problem by a 3-dimensional particle-in-cell simulations are given

  1. 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

  2. Fully implicit Particle-in-cell algorithms for multiscale plasma simulation

    Energy Technology Data Exchange (ETDEWEB)

    Chacon, Luis [Los Alamos National Laboratory

    2015-07-16

    The outline of the paper is as follows: Particle-in-cell (PIC) methods for fully ionized collisionless plasmas, explicit vs. implicit PIC, 1D ES implicit PIC (charge and energy conservation, moment-based acceleration), and generalization to Multi-D EM PIC: Vlasov-Darwin model (review and motivation for Darwin model, conservation properties (energy, charge, and canonical momenta), and numerical benchmarks). The author demonstrates a fully implicit, fully nonlinear, multidimensional PIC formulation that features exact local charge conservation (via a novel particle mover strategy), exact global energy conservation (no particle self-heating or self-cooling), adaptive particle orbit integrator to control errors in momentum conservation, and canonical momenta (EM-PIC only, reduced dimensionality). The approach is free of numerical instabilities: ωpeΔt >> 1, and Δx >> λD. It requires many fewer dofs (vs. explicit PIC) for comparable accuracy in challenging problems. Significant CPU gains (vs explicit PIC) have been demonstrated. The method has much potential for efficiency gains vs. explicit in long-time-scale applications. Moment-based acceleration is effective in minimizing NFE, leading to an optimal algorithm.

  3. Self-consistent asset pricing models

    Science.gov (United States)

    Malevergne, Y.; Sornette, D.

    2007-08-01

    We discuss the foundations of factor or regression models in the light of the self-consistency condition that the market portfolio (and more generally the risk factors) is (are) constituted of the assets whose returns it is (they are) supposed to explain. As already reported in several articles, self-consistency implies correlations between the return disturbances. As a consequence, the alphas and betas of the factor model are unobservable. Self-consistency leads to renormalized betas with zero effective alphas, which are observable with standard OLS regressions. When the conditions derived from internal consistency are not met, the model is necessarily incomplete, which means that some sources of risk cannot be replicated (or hedged) by a portfolio of stocks traded on the market, even for infinite economies. Analytical derivations and numerical simulations show that, for arbitrary choices of the proxy which are different from the true market portfolio, a modified linear regression holds with a non-zero value αi at the origin between an asset i's return and the proxy's return. Self-consistency also introduces “orthogonality” and “normality” conditions linking the betas, alphas (as well as the residuals) and the weights of the proxy portfolio. Two diagnostics based on these orthogonality and normality conditions are implemented on a basket of 323 assets which have been components of the S&P500 in the period from January 1990 to February 2005. These two diagnostics show interesting departures from dynamical self-consistency starting about 2 years before the end of the Internet bubble. Assuming that the CAPM holds with the self-consistency condition, the OLS method automatically obeys the resulting orthogonality and normality conditions and therefore provides a simple way to self-consistently assess the parameters of the model by using proxy portfolios made only of the assets which are used in the CAPM regressions. Finally, the factor decomposition with the

  4. Laser-plasma interactions with a Fourier-Bessel particle-in-cell method

    Energy Technology Data Exchange (ETDEWEB)

    Andriyash, Igor A., E-mail: igor.andriyash@gmail.com [Synchrotron SOLEIL, L' Orme des Merisiers, Saint Aubin, 91192 Gif-sur-Yvette (France); LOA, ENSTA ParisTech, CNRS, Ecole polytechnique, Université Paris-Saclay, 828 bd des Maréchaux, 91762 Palaiseau cedex (France); Lehe, Remi [Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Lifschitz, Agustin [LOA, ENSTA ParisTech, CNRS, Ecole polytechnique, Université Paris-Saclay, 828 bd des Maréchaux, 91762 Palaiseau cedex (France)

    2016-03-15

    A new spectral particle-in-cell (PIC) method for plasma modeling is presented and discussed. In the proposed scheme, the Fourier-Bessel transform is used to translate the Maxwell equations to the quasi-cylindrical spectral domain. In this domain, the equations are solved analytically in time, and the spatial derivatives are approximated with high accuracy. In contrast to the finite-difference time domain (FDTD) methods, that are used commonly in PIC, the developed method does not produce numerical dispersion and does not involve grid staggering for the electric and magnetic fields. These features are especially valuable in modeling the wakefield acceleration of particles in plasmas. The proposed algorithm is implemented in the code PLARES-PIC, and the test simulations of laser plasma interactions are compared to the ones done with the quasi-cylindrical FDTD PIC code CALDER-CIRC.

  5. Nonequilibrium Gyrokinetic Fluctuation Theory and Sampling Noise in Gyrokinetic Particle-in-cell Simulations

    International Nuclear Information System (INIS)

    Krommes, John A.

    2007-01-01

    The present state of the theory of fluctuations in gyrokinetic (GK) plasmas and especially its application to sampling noise in GK particle-in-cell (PIC) simulations is reviewed. Topics addressed include the Δf method, the fluctuation-dissipation theorem for both classical and GK many-body plasmas, the Klimontovich formalism, sampling noise in PIC simulations, statistical closure for partial differential equations, the theoretical foundations of spectral balance in the presence of arbitrary noise sources, and the derivation of Kadomtsev-type equations from the general formalism

  6. Nonequilibrium Gyrokinetic Fluctuation Theory and Sampling Noise in Gyrokinetic Particle-in-cell Simulations

    Energy Technology Data Exchange (ETDEWEB)

    John A. Krommes

    2007-10-09

    The present state of the theory of fluctuations in gyrokinetic GK plasmas and especially its application to sampling noise in GK particle-in-cell PIC simulations is reviewed. Topics addressed include the Δf method, the fluctuation-dissipation theorem for both classical and GK many-body plasmas, the Klimontovich formalism, sampling noise in PIC simulations, statistical closure for partial differential equations, the theoretical foundations of spectral balance in the presence of arbitrary noise sources, and the derivation of Kadomtsev-type equations from the general formalism.

  7. PIC Simulations of Hypersonic Plasma Instabilities

    Science.gov (United States)

    Niehoff, D.; Ashour-Abdalla, M.; Niemann, C.; Decyk, V.; Schriver, D.; Clark, E.

    2013-12-01

    The plasma sheaths formed around hypersonic aircraft (Mach number, M > 10) are relatively unexplored and of interest today to both further the development of new technologies and solve long-standing engineering problems. Both laboratory experiments and analytical/numerical modeling are required to advance the understanding of these systems; it is advantageous to perform these tasks in tandem. There has already been some work done to study these plasmas by experiments that create a rapidly expanding plasma through ablation of a target with a laser. In combination with a preformed magnetic field, this configuration leads to a magnetic "bubble" formed behind the front as particles travel at about Mach 30 away from the target. Furthermore, the experiment was able to show the generation of fast electrons which could be due to instabilities on electron scales. To explore this, future experiments will have more accurate diagnostics capable of observing time- and length-scales below typical ion scales, but simulations are a useful tool to explore these plasma conditions theoretically. Particle in Cell (PIC) simulations are necessary when phenomena are expected to be observed at these scales, and also have the advantage of being fully kinetic with no fluid approximations. However, if the scales of the problem are not significantly below the ion scales, then the initialization of the PIC simulation must be very carefully engineered to avoid unnecessary computation and to select the minimum window where structures of interest can be studied. One method of doing this is to seed the simulation with either experiment or ion-scale simulation results. Previous experiments suggest that a useful configuration for studying hypersonic plasma configurations is a ring of particles rapidly expanding transverse to an external magnetic field, which has been simulated on the ion scale with an ion-hybrid code. This suggests that the PIC simulation should have an equivalent configuration

  8. PIConGPU - How to build one of the fastest GPU particle-in-cell codes in the world

    Energy Technology Data Exchange (ETDEWEB)

    Burau, Heiko; Debus, Alexander; Helm, Anton; Huebl, Axel; Kluge, Thomas; Widera, Rene; Bussmann, Michael; Schramm, Ulrich; Cowan, Thomas [HZDR, Dresden (Germany); Juckeland, Guido; Nagel, Wolfgang [TU Dresden (Germany); ZIH, Dresden (Germany); Schmitt, Felix [NVIDIA (United States)

    2013-07-01

    We present the algorithmic building blocks of PIConGPU, one of the fastest implementations of the particle-in-cell algortihm on GPU clusters. PIConGPU is a highly-scalable, 3D3V electromagnetic PIC code that is used in laser plasma and astrophysical plasma simulations.

  9. Self-consistency in Capital Markets

    Science.gov (United States)

    Benbrahim, Hamid

    2013-03-01

    Capital Markets are considered, at least in theory, information engines whereby traders contribute to price formation with their diverse perspectives. Regardless whether one believes in efficient market theory on not, actions by individual traders influence prices of securities, which in turn influence actions by other traders. This influence is exerted through a number of mechanisms including portfolio balancing, margin maintenance, trend following, and sentiment. As a result market behaviors emerge from a number of mechanisms ranging from self-consistency due to wisdom of the crowds and self-fulfilling prophecies, to more chaotic behavior resulting from dynamics similar to the three body system, namely the interplay between equities, options, and futures. This talk will address questions and findings regarding the search for self-consistency in capital markets.

  10. Particle-in-cell simulations of Hall plasma thrusters

    Science.gov (United States)

    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.

  11. 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)

  12. Recent progress in 3D EM/EM-PIC simulation with ARGUS and parallel ARGUS

    International Nuclear Information System (INIS)

    Mankofsky, A.; Petillo, J.; Krueger, W.; Mondelli, A.; McNamara, B.; Philp, R.

    1994-01-01

    ARGUS is an integrated, 3-D, volumetric simulation model for systems involving electric and magnetic fields and charged particles, including materials embedded in the simulation region. The code offers the capability to carry out time domain and frequency domain electromagnetic simulations of complex physical systems. ARGUS offers a boolean solid model structure input capability that can include essentially arbitrary structures on the computational domain, and a modular architecture that allows multiple physics packages to access the same data structure and to share common code utilities. Physics modules are in place to compute electrostatic and electromagnetic fields, the normal modes of RF structures, and self-consistent particle-in-cell (PIC) simulation in either a time dependent mode or a steady state mode. The PIC modules include multiple particle species, the Lorentz equations of motion, and algorithms for the creation of particles by emission from material surfaces, injection onto the grid, and ionization. In this paper, we present an updated overview of ARGUS, with particular emphasis given in recent algorithmic and computational advances. These include a completely rewritten frequency domain solver which efficiently treats lossy materials and periodic structures, a parallel version of ARGUS with support for both shared memory parallel vector (i.e. CRAY) machines and distributed memory massively parallel MIMD systems, and numerous new applications of the code

  13. Self-consistent gravitational self-force

    International Nuclear Information System (INIS)

    Pound, Adam

    2010-01-01

    I review the problem of motion for small bodies in general relativity, with an emphasis on developing a self-consistent treatment of the gravitational self-force. An analysis of the various derivations extant in the literature leads me to formulate an asymptotic expansion in which the metric is expanded while a representative worldline is held fixed. I discuss the utility of this expansion for both exact point particles and asymptotically small bodies, contrasting it with a regular expansion in which both the metric and the worldline are expanded. Based on these preliminary analyses, I present a general method of deriving self-consistent equations of motion for arbitrarily structured (sufficiently compact) small bodies. My method utilizes two expansions: an inner expansion that keeps the size of the body fixed, and an outer expansion that lets the body shrink while holding its worldline fixed. By imposing the Lorenz gauge, I express the global solution to the Einstein equation in the outer expansion in terms of an integral over a worldtube of small radius surrounding the body. Appropriate boundary data on the tube are determined from a local-in-space expansion in a buffer region where both the inner and outer expansions are valid. This buffer-region expansion also results in an expression for the self-force in terms of irreducible pieces of the metric perturbation on the worldline. Based on the global solution, these pieces of the perturbation can be written in terms of a tail integral over the body's past history. This approach can be applied at any order to obtain a self-consistent approximation that is valid on long time scales, both near and far from the small body. I conclude by discussing possible extensions of my method and comparing it to alternative approaches.

  14. Particle-in-Cell Codes for plasma-based particle acceleration

    CERN Document Server

    Pukhov, Alexander

    2016-01-01

    Basic principles of particle-in-cell (PIC ) codes with the main application for plasma-based acceleration are discussed. The ab initio full electromagnetic relativistic PIC codes provide the most reliable description of plasmas. Their properties are considered in detail. Representing the most fundamental model, the full PIC codes are computationally expensive. The plasma-based acceler- ation is a multi-scale problem with very disparate scales. The smallest scale is the laser or plasma wavelength (from one to hundred microns) and the largest scale is the acceleration distance (from a few centimeters to meters or even kilometers). The Lorentz-boost technique allows to reduce the scale disparity at the costs of complicating the simulations and causing unphysical numerical instabilities in the code. Another possibility is to use the quasi-static approxi- mation where the disparate scales are separated analytically.

  15. The use of electromagnetic particle-in-cell codes in accelerator applications

    International Nuclear Information System (INIS)

    Eppley, K.

    1988-12-01

    The techniques developed for the numerical simulation of plasmas have numerous applications relevant to accelerators. The operation of many accelerator components involves transients, interactions between beams and rf fields, and internal plasma oscillations. These effects produce non-linear behavior which can be represented accurately by particle in cell (PIC) simulations. We will give a very brief overview of the algorithms used in PIC Codes. We will examine the range of parameters over which they are useful. We will discuss the factors which determine whether a two or three dimensional simulation is most appropriate. PIC codes have been applied to a wide variety of diverse problems, spanning many of the systems in a linear accelerator. We will present a number of practical examples of the application of these codes to areas such as guns, bunchers, rf sources, beam transport, emittance growth and final focus. 8 refs., 8 figs., 2 tabs

  16. Particle-in-cell vs straight line Gaussian calculations for an area of complex topography

    International Nuclear Information System (INIS)

    Lange, R.; Sherman, C.

    1977-01-01

    Two numerical models for the calculation of time integrated air concentraton and ground deposition of airborne radioactive effluent releases are compared. The time dependent Particle-in-Cell (PIC) model and the steady state Gaussian plume model were used for the simulation. The area selected for the comparison was the Hudson River Valley, New York. Input for the models was synthesized from meteorological data gathered in previous studies by various investigators. It was found that the PIC model more closely simulated the three-dimensional effects of the meteorology and topography. Overall, the Gaussian model calculated higher concentrations under stable conditions. In addition, because of its consideration of exposure from the returning plume after flow reversal, the PIC model calculated air concentrations over larger areas than did the Gaussian model

  17. Self-consistent model of confinement

    International Nuclear Information System (INIS)

    Swift, A.R.

    1988-01-01

    A model of the large-spatial-distance, zero--three-momentum, limit of QCD is developed from the hypothesis that there is an infrared singularity. Single quarks and gluons do not propagate because they have infinite energy after renormalization. The Hamiltonian formulation of the path integral is used to quantize QCD with physical, nonpropagating fields. Perturbation theory in the infrared limit is simplified by the absence of self-energy insertions and by the suppression of large classes of diagrams due to vanishing propagators. Remaining terms in the perturbation series are resummed to produce a set of nonlinear, renormalizable integral equations which fix both the confining interaction and the physical propagators. Solutions demonstrate the self-consistency of the concepts of an infrared singularity and nonpropagating fields. The Wilson loop is calculated to provide a general proof of confinement. Bethe-Salpeter equations for quark-antiquark pairs and for two gluons have finite-energy solutions in the color-singlet channel. The choice of gauge is addressed in detail. Large classes of corrections to the model are discussed and shown to support self-consistency

  18. Self-consistent modelling of ICRH

    International Nuclear Information System (INIS)

    Hellsten, T.; Hedin, J.; Johnson, T.; Laxaaback, M.; Tennfors, E.

    2001-01-01

    The performance of ICRH is often sensitive to the shape of the high energy part of the distribution functions of the resonating species. This requires self-consistent calculations of the distribution functions and the wave-field. In addition to the wave-particle interactions and Coulomb collisions the effects of the finite orbit width and the RF-induced spatial transport are found to be important. The inward drift dominates in general even for a symmetric toroidal wave spectrum in the centre of the plasma. An inward drift does not necessarily produce a more peaked heating profile. On the contrary, for low concentrations of hydrogen minority in deuterium plasmas it can even give rise to broader profiles. (author)

  19. Non linear self consistency of microtearing modes

    International Nuclear Information System (INIS)

    Garbet, X.; Mourgues, F.; Samain, A.

    1987-01-01

    The self consistency of a microtearing turbulence is studied in non linear regimes where the ergodicity of the flux lines determines the electron response. The current which sustains the magnetic perturbation via the Ampere law results from the combines action of the radial electric field in the frame where the island chains are static and of the thermal electron diamagnetism. Numerical calculations show that at usual values of β pol in Tokamaks the turbulence can create a diffusion coefficient of order ν th p 2 i where p i is the ion larmor radius and ν th the electron ion collision frequency. On the other hand, collisionless regimes involving special profiles of each mode near the resonant surface seem possible

  20. Self-consistent velocity dependent effective interactions

    International Nuclear Information System (INIS)

    Kubo, Takayuki; Sakamoto, Hideo; Kammuri, Tetsuo; Kishimoto, Teruo.

    1993-09-01

    The field coupling method is extended to a system with a velocity dependent mean potential. By means of this method, we can derive the effective interactions which are consistent with the mean potential. The self-consistent velocity dependent effective interactions are applied to the microscopic analysis of the structures of giant dipole resonances (GDR) of 148,154 Sm, of the first excited 2 + states of Sn isotopes and of the first excited 3 - states of Mo isotopes. It is clarified that the interactions play crucial roles in describing the splitting of the resonant structure of GDR peaks, in restoring the energy weighted sum rule values, and in reducing B (Eλ) values. (author)

  1. PIC 16 F84

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Gi Cheol; Min, Han Sik

    2001-11-15

    The contents of this book are introduction of microprocessor, basic for microcomputer practice, introduction of one chip micro computer, basic command of PIC, instructions simulator and in circuit emulator ; what a simulator of PIC is, and MPLAB direction, making PIC rom writer and instructions, of La's PIC Micro Programmer, PIC programming ; learning Command with examples, and controlling hardware with C-language, practical task for PIC application, a line tracer automobile and making ultrasonic radar ; circuit, source program and monitor program.

  2. PIC 16 F84

    International Nuclear Information System (INIS)

    Jung, Gi Cheol; Min, Han Sik

    2001-11-01

    The contents of this book are introduction of microprocessor, basic for microcomputer practice, introduction of one chip micro computer, basic command of PIC, instructions simulator and in circuit emulator ; what a simulator of PIC is, and MPLAB direction, making PIC rom writer and instructions, of La's PIC Micro Programmer, PIC programming ; learning Command with examples, and controlling hardware with C-language, practical task for PIC application, a line tracer automobile and making ultrasonic radar ; circuit, source program and monitor program.

  3. Self consistent field theory of virus assembly

    Science.gov (United States)

    Li, Siyu; Orland, Henri; Zandi, Roya

    2018-04-01

    The ground state dominance approximation (GSDA) has been extensively used to study the assembly of viral shells. In this work we employ the self-consistent field theory (SCFT) to investigate the adsorption of RNA onto positively charged spherical viral shells and examine the conditions when GSDA does not apply and SCFT has to be used to obtain a reliable solution. We find that there are two regimes in which GSDA does work. First, when the genomic RNA length is long enough compared to the capsid radius, and second, when the interaction between the genome and capsid is so strong that the genome is basically localized next to the wall. We find that for the case in which RNA is more or less distributed uniformly in the shell, regardless of the length of RNA, GSDA is not a good approximation. We observe that as the polymer-shell interaction becomes stronger, the energy gap between the ground state and first excited state increases and thus GSDA becomes a better approximation. We also present our results corresponding to the genome persistence length obtained through the tangent-tangent correlation length and show that it is zero in case of GSDA but is equal to the inverse of the energy gap when using SCFT.

  4. Self-consistent nuclear energy systems

    International Nuclear Information System (INIS)

    Shimizu, A.; Fujiie, Y.

    1995-01-01

    A concept of self-consistent energy systems (SCNES) has been proposed as an ultimate goal of the nuclear energy system in the coming centuries. SCNES should realize a stable and unlimited energy supply without endangering the human race and the global environment. It is defined as a system that realizes at least the following four objectives simultaneously: (a) energy generation -attain high efficiency in the utilization of fission energy; (b) fuel production - secure inexhaustible energy source: breeding of fissile material with the breeding ratio greater than one and complete burning of transuranium through recycling; (c) burning of radionuclides - zero release of radionuclides from the system: complete burning of transuranium and elimination of radioactive fission products by neutron capture reactions through recycling; (d) system safety - achieve system safety both for the public and experts: eliminate criticality-related safety issues by using natural laws and simple logic. This paper describes the concept of SCNES and discusses the feasibility of the system. Both ''neutron balance'' and ''energbalance'' of the system are introduced as the necessary conditions to be satisfied at least by SCNES. Evaluations made so far indicate that both the neutron balance and the energy balance can be realized by fast reactors but not by thermal reactors. Concerning the system safety, two safety concepts: ''self controllability'' and ''self-terminability'' are introduced to eliminate the criticality-related safety issues in fast reactors. (author)

  5. Numerical heating in Particle-In-Cell simulations with Monte Carlo binary collisions

    Science.gov (United States)

    Alves, E. Paulo; Mori, Warren; Fiuza, Frederico

    2017-10-01

    The binary Monte Carlo collision (BMCC) algorithm is a robust and popular method to include Coulomb collision effects in Particle-in-Cell (PIC) simulations of plasmas. While a number of works have focused on extending the validity of the model to different physical regimes of temperature and density, little attention has been given to the fundamental coupling between PIC and BMCC algorithms. Here, we show that the coupling between PIC and BMCC algorithms can give rise to (nonphysical) numerical heating of the system, that can be far greater than that observed when these algorithms operate independently. This deleterious numerical heating effect can significantly impact the evolution of the simulated system particularly for long simulation times. In this work, we describe the source of this numerical heating, and derive scaling laws for the numerical heating rates based on the numerical parameters of PIC-BMCC simulations. We compare our theoretical scalings with PIC-BMCC numerical experiments, and discuss strategies to minimize this parasitic effect. This work is supported by DOE FES under FWP 100237 and 100182.

  6. 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

  7. Apar-T: code, validation, and physical interpretation of particle-in-cell results

    Science.gov (United States)

    Melzani, Mickaël; Winisdoerffer, Christophe; Walder, Rolf; Folini, Doris; Favre, Jean M.; Krastanov, Stefan; Messmer, Peter

    2013-10-01

    We present the parallel particle-in-cell (PIC) code Apar-T and, more importantly, address the fundamental question of the relations between the PIC model, the Vlasov-Maxwell theory, and real plasmas. First, we present four validation tests: spectra from simulations of thermal plasmas, linear growth rates of the relativistic tearing instability and of the filamentation instability, and nonlinear filamentation merging phase. For the filamentation instability we show that the effective growth rates measured on the total energy can differ by more than 50% from the linear cold predictions and from the fastest modes of the simulation. We link these discrepancies to the superparticle number per cell and to the level of field fluctuations. Second, we detail a new method for initial loading of Maxwell-Jüttner particle distributions with relativistic bulk velocity and relativistic temperature, and explain why the traditional method with individual particle boosting fails. The formulation of the relativistic Harris equilibrium is generalized to arbitrary temperature and mass ratios. Both are required for the tearing instability setup. Third, we turn to the key point of this paper and scrutinize the question of what description of (weakly coupled) physical plasmas is obtained by PIC models. These models rely on two building blocks: coarse-graining, i.e., grouping of the order of p ~ 1010 real particles into a single computer superparticle, and field storage on a grid with its subsequent finite superparticle size. We introduce the notion of coarse-graining dependent quantities, i.e., quantities depending on p. They derive from the PIC plasma parameter ΛPIC, which we show to behave as ΛPIC ∝ 1/p. We explore two important implications. One is that PIC collision- and fluctuation-induced thermalization times are expected to scale with the number of superparticles per grid cell, and thus to be a factor p ~ 1010 smaller than in real plasmas, a fact that we confirm with

  8. 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)

  9. A general concurrent algorithm for plasma particle-in-cell simulation codes

    International Nuclear Information System (INIS)

    Liewer, P.C.; Decyk, V.K.

    1989-01-01

    We have developed a new algorithm for implementing plasma particle-in-cell (PIC) simulation codes on concurrent processors with distributed memory. This algorithm, named the general concurrent PIC algorithm (GCPIC), has been used to implement an electrostatic PIC code on the 33-node JPL Mark III Hypercube parallel computer. To decompose at PIC code using the GCPIC algorithm, the physical domain of the particle simulation is divided into sub-domains, equal in number to the number of processors, such that all sub-domains have roughly equal numbers of particles. For problems with non-uniform particle densities, these sub-domains will be of unequal physical size. Each processor is assigned a sub-domain and is responsible for updating the particles in its sub-domain. This algorithm has led to a a very efficient parallel implementation of a well-benchmarked 1-dimensional PIC code. The dominant portion of the code, updating the particle positions and velocities, is nearly 100% efficient when the number of particles is increased linearly with the number of hypercube processors used so that the number of particles per processor is constant. For example, the increase in time spent updating particles in going from a problem with 11,264 particles run on 1 processor to 360,448 particles on 32 processors was only 3% (parallel efficiency of 97%). Although implemented on a hypercube concurrent computer, this algorithm should also be efficient for PIC codes on other parallel architectures and for large PIC codes on sequential computers where part of the data must reside on external disks. copyright 1989 Academic Press, Inc

  10. A 3D gyrokinetic particle-in-cell simulation of fusion plasma microturbulence on parallel computers

    Science.gov (United States)

    Williams, T. J.

    1992-12-01

    One of the grand challenge problems now supported by HPCC is the Numerical Tokamak Project. A goal of this project is the study of low-frequency micro-instabilities in tokamak plasmas, which are believed to cause energy loss via turbulent thermal transport across the magnetic field lines. An important tool in this study is gyrokinetic particle-in-cell (PIC) simulation. Gyrokinetic, as opposed to fully-kinetic, methods are particularly well suited to the task because they are optimized to study the frequency and wavelength domain of the microinstabilities. Furthermore, many researchers now employ low-noise delta(f) methods to greatly reduce statistical noise by modelling only the perturbation of the gyrokinetic distribution function from a fixed background, not the entire distribution function. In spite of the increased efficiency of these improved algorithms over conventional PIC algorithms, gyrokinetic PIC simulations of tokamak micro-turbulence are still highly demanding of computer power--even fully-vectorized codes on vector supercomputers. For this reason, we have worked for several years to redevelop these codes on massively parallel computers. We have developed 3D gyrokinetic PIC simulation codes for SIMD and MIMD parallel processors, using control-parallel, data-parallel, and domain-decomposition message-passing (DDMP) programming paradigms. This poster summarizes our earlier work on codes for the Connection Machine and BBN TC2000 and our development of a generic DDMP code for distributed-memory parallel machines. We discuss the memory-access issues which are of key importance in writing parallel PIC codes, with special emphasis on issues peculiar to gyrokinetic PIC. We outline the domain decompositions in our new DDMP code and discuss the interplay of different domain decompositions suited for the particle-pushing and field-solution components of the PIC algorithm.

  11. Acceleration of PIC simulation with GPU

    International Nuclear Information System (INIS)

    Suzuki, Junya; Shimazu, Hironori; Fukazawa, Keiichiro; Den, Mitsue

    2011-01-01

    Particle-in-cell (PIC) is a simulation technique for plasma physics. The large number of particles in high-resolution plasma simulation increases the volume computation required, making it vital to increase computation speed. In this study, we attempt to accelerate computation speed on graphics processing units (GPUs) using KEMPO, a PIC simulation code package. We perform two tests for benchmarking, with small and large grid sizes. In these tests, we run KEMPO1 code using a CPU only, both a CPU and a GPU, and a GPU only. The results showed that performance using only a GPU was twice that of using a CPU alone. While, execution time for using both a CPU and GPU is comparable to the tests with a CPU alone, because of the significant bottleneck in communication between the CPU and GPU. (author)

  12. Status and future plans for open source QuickPIC

    Science.gov (United States)

    An, Weiming; Decyk, Viktor; Mori, Warren

    2017-10-01

    QuickPIC is a three dimensional (3D) quasi-static particle-in-cell (PIC) code developed based on the UPIC framework. It can be used for efficiently modeling plasma based accelerator (PBA) problems. With quasi-static approximation, QuickPIC can use different time scales for calculating the beam (or laser) evolution and the plasma response, and a 3D plasma wake field can be simulated using a two-dimensional (2D) PIC code where the time variable is ξ = ct - z and z is the beam propagation direction. QuickPIC can be thousand times faster than the normal PIC code when simulating the PBA. It uses an MPI/OpenMP hybrid parallel algorithm, which can be run on either a laptop or the largest supercomputer. The open source QuickPIC is an object-oriented program with high level classes written in Fortran 2003. It can be found at https://github.com/UCLA-Plasma-Simulation-Group/QuickPIC-OpenSource.git

  13. A self-consistent, absolute isochronal age scale for young moving groups in the solar neighbourhood

    OpenAIRE

    Bell, Cameron P. M.; Mamajek, Eric E.; Naylor, Tim

    2015-01-01

    We present a self-consistent, absolute isochronal age scale for young (< 200 Myr), nearby (< 100 pc) moving groups in the solar neighbourhood based on homogeneous fitting of semi-empirical pre-main-sequence model isochrones using the tau^2 maximum-likelihood fitting statistic of Naylor & Jeffries in the M_V, V-J colour-magnitude diagram. The final adopted ages for the groups are: 149+51-19 Myr for the AB Dor moving group, 24+/-3 Myr for the {\\beta} Pic moving group (BPMG), 45+11-7 Myr for the...

  14. FLIP-MHD: A particle-in-cell mehtod for magnetohydrodynamics

    International Nuclear Information System (INIS)

    Brackbill, J.U.

    1990-01-01

    A particle-in-cell (PIC) method, FLIP is extended to magnetohydrodynamic (MHD) flow in two dimensions. Particles are used to reduce computational diffusion of the magnetic field. FLIP is an extension of ''classical'' PIC, where particles have mass, but every other property of the fluid is stored on a grid. In FLIP, particles have every property of the fluid, so that they provide a complete Lagrangian description not only to resolve contact discontinuities but also to reduce computational diffusion of linear and angular momentum. The interactions among the particles are calculated on a grid, for convenience and economy. The present study extends FLIP to MHD, by including information about the magnetic field among the attributes of the particles. 6 refs

  15. Two dimensional numerical simulation of gas discharges: comparison between particle-in-cell and FCT techniques

    Energy Technology Data Exchange (ETDEWEB)

    Soria-Hoyo, C; Castellanos, A [Departamento de Electronica y Electromagnetismo, Facultad de Fisica, Universidad de Sevilla, Avda. Reina Mercedes s/n, 41012 Sevilla (Spain); Pontiga, F [Departamento de Fisica Aplicada II, EUAT, Universidad de Sevilla, Avda. Reina Mercedes s/n, 41012 Sevilla (Spain)], E-mail: cshoyo@us.es

    2008-10-21

    Two different numerical techniques have been applied to the numerical integration of equations modelling gas discharges: a finite-difference flux corrected transport (FD-FCT) technique and a particle-in-cell (PIC) technique. The PIC technique here implemented has been specifically designed for the simulation of 2D electrical discharges using cylindrical coordinates. The development and propagation of a streamer between two parallel electrodes has been used as a convenient test to compare the performance of both techniques. In particular, the phase velocity of the cathode directed streamer has been used to check the internal consistency of the numerical simulations. The results obtained from the two techniques are in reasonable agreement with each other, and both techniques have proved their ability to follow the high gradients of charge density and electric field present in this type of problems. Moreover, the streamer velocities predicted by the simulation are in accordance with the typical experimental values.

  16. Two dimensional numerical simulation of gas discharges: comparison between particle-in-cell and FCT techniques

    International Nuclear Information System (INIS)

    Soria-Hoyo, C; Castellanos, A; Pontiga, F

    2008-01-01

    Two different numerical techniques have been applied to the numerical integration of equations modelling gas discharges: a finite-difference flux corrected transport (FD-FCT) technique and a particle-in-cell (PIC) technique. The PIC technique here implemented has been specifically designed for the simulation of 2D electrical discharges using cylindrical coordinates. The development and propagation of a streamer between two parallel electrodes has been used as a convenient test to compare the performance of both techniques. In particular, the phase velocity of the cathode directed streamer has been used to check the internal consistency of the numerical simulations. The results obtained from the two techniques are in reasonable agreement with each other, and both techniques have proved their ability to follow the high gradients of charge density and electric field present in this type of problems. Moreover, the streamer velocities predicted by the simulation are in accordance with the typical experimental values.

  17. 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.

  18. Electrostatic plasma simulation by Particle-In-Cell method using ANACONDA package

    International Nuclear Information System (INIS)

    Blandón, J S; Grisales, J P; Riascos, H

    2017-01-01

    Electrostatic plasma is the most representative and basic case in plasma physics field. One of its main characteristics is its ideal behavior, since it is assumed be in thermal equilibrium state. Through this assumption, it is possible to study various complex phenomena such as plasma oscillations, waves, instabilities or damping. Likewise, computational simulation of this specific plasma is the first step to analyze physics mechanisms on plasmas, which are not at equilibrium state, and hence plasma is not ideal. Particle-In-Cell (PIC) method is widely used because of its precision for this kind of cases. This work, presents PIC method implementation to simulate electrostatic plasma by Python, using ANACONDA packages. The code has been corroborated comparing previous theoretical results for three specific phenomena in cold plasmas: oscillations, Two-Stream instability (TSI) and Landau Damping(LD). Finally, parameters and results are discussed. (paper)

  19. Concurrent particle-in-cell plasma simulation on a multi-transputer parallel computer

    International Nuclear Information System (INIS)

    Khare, A.N.; Jethra, A.; Patel, Kartik

    1992-01-01

    This report describes the parallelization of a Particle-in-Cell (PIC) plasma simulation code on a multi-transputer parallel computer. The algorithm used in the parallelization of the PIC method is described. The decomposition schemes related to the distribution of the particles among the processors are discussed. The implementation of the algorithm on a transputer network connected as a torus is presented. The solutions of the problems related to global communication of data are presented in the form of a set of generalized communication functions. The performance of the program as a function of data size and the number of transputers show that the implementation is scalable and represents an effective way of achieving high performance at acceptable cost. (author). 11 refs., 4 figs., 2 tabs., appendices

  20. Implementation of a 3D plasma particle-in-cell code on a MIMD parallel computer

    International Nuclear Information System (INIS)

    Liewer, P.C.; Lyster, P.; Wang, J.

    1993-01-01

    A three-dimensional plasma particle-in-cell (PIC) code has been implemented on the Intel Delta MIMD parallel supercomputer using the General Concurrent PIC algorithm. The GCPIC algorithm uses a domain decomposition to divide the computation among the processors: A processor is assigned a subdomain and all the particles in it. Particles must be exchanged between processors as they move. Results are presented comparing the efficiency for 1-, 2- and 3-dimensional partitions of the three dimensional domain. This algorithm has been found to be very efficient even when a large fraction (e.g. 30%) of the particles must be exchanged at every time step. On the 512-node Intel Delta, up to 125 million particles have been pushed with an electrostatic push time of under 500 nsec/particle/time step

  1. Wavelet-based Poisson Solver for use in Particle-In-Cell Simulations

    International Nuclear Information System (INIS)

    Terzic, B.; Mihalcea, D.; Bohn, C.L.; Pogorelov, I.V.

    2005-01-01

    We report on a successful implementation of a wavelet based Poisson solver for use in 3D particle-in-cell (PIC) simulations. One new aspect of our algorithm is its ability to treat the general(inhomogeneous) Dirichlet boundary conditions (BCs). The solver harnesses advantages afforded by the wavelet formulation, such as sparsity of operators and data sets, existence of effective preconditioners, and the ability simultaneously to remove numerical noise and further compress relevant data sets. Having tested our method as a stand-alone solver on two model problems, we merged it into IMPACT-T to obtain a fully functional serial PIC code. We present and discuss preliminary results of application of the new code to the modeling of the Fermilab/NICADD and AES/JLab photoinjectors

  2. Enhanced quasi-static particle-in-cell simulation of electron cloud instabilities in circular accelerators

    Science.gov (United States)

    Feng, Bing

    Electron cloud instabilities have been observed in many circular accelerators around the world and raised concerns of future accelerators and possible upgrades. In this thesis, the electron cloud instabilities are studied with the quasi-static particle-in-cell (PIC) code QuickPIC. Modeling in three-dimensions the long timescale propagation of beam in electron clouds in circular accelerators requires faster and more efficient simulation codes. Thousands of processors are easily available for parallel computations. However, it is not straightforward to increase the effective speed of the simulation by running the same problem size on an increasingly number of processors because there is a limit to domain size in the decomposition of the two-dimensional part of the code. A pipelining algorithm applied on the fully parallelized particle-in-cell code QuickPIC is implemented to overcome this limit. The pipelining algorithm uses multiple groups of processors and optimizes the job allocation on the processors in parallel computing. With this novel algorithm, it is possible to use on the order of 102 processors, and to expand the scale and the speed of the simulation with QuickPIC by a similar factor. In addition to the efficiency improvement with the pipelining algorithm, the fidelity of QuickPIC is enhanced by adding two physics models, the beam space charge effect and the dispersion effect. Simulation of two specific circular machines is performed with the enhanced QuickPIC. First, the proposed upgrade to the Fermilab Main Injector is studied with an eye upon guiding the design of the upgrade and code validation. Moderate emittance growth is observed for the upgrade of increasing the bunch population by 5 times. But the simulation also shows that increasing the beam energy from 8GeV to 20GeV or above can effectively limit the emittance growth. Then the enhanced QuickPIC is used to simulate the electron cloud effect on electron beam in the Cornell Energy Recovery Linac

  3. Electromagnetic particle in cell modeling of the plasma focus: Current sheath formation and lift off

    International Nuclear Information System (INIS)

    Seng, Y. S.; Lee, P.; Rawat, R. S.

    2014-01-01

    The shaping and formation of the current sheath takes place in the breakdown phase of a plasma focus device and critically controls the device performance. Electrostatic particle in cell codes, with magnetic effects ignored, have been used to model the breakdown phase. This Letter reports the successful development and implementation of an electromagnetic particle in cell (EMPIC) code, including magnetic effects self-consistently, to simulate the breakdown phase; from the ionization, localization and gliding discharge along the insulator to the time instant of current sheath lift off. The magnetic field was found to be appreciable from the time the current sheath came into contact with the anode with increased local current, initiating the voltage breakdown of the device as a result

  4. On the numerical dispersion of electromagnetic particle-in-cell code: Finite grid instability

    International Nuclear Information System (INIS)

    Meyers, M.D.; Huang, C.-K.; Zeng, Y.; Yi, S.A.; Albright, B.J.

    2015-01-01

    The Particle-In-Cell (PIC) method is widely used in relativistic particle beam and laser plasma modeling. However, the PIC method exhibits numerical instabilities that can render unphysical simulation results or even destroy the simulation. For electromagnetic relativistic beam and plasma modeling, the most relevant numerical instabilities are the finite grid instability and the numerical Cherenkov instability. We review the numerical dispersion relation of the Electromagnetic PIC model. We rigorously derive the faithful 3-D numerical dispersion relation of the PIC model, for a simple, direct current deposition scheme, which does not conserve electric charge exactly. We then specialize to the Yee FDTD scheme. In particular, we clarify the presence of alias modes in an eigenmode analysis of the PIC model, which combines both discrete and continuous variables. The manner in which the PIC model updates and samples the fields and distribution function, together with the temporal and spatial phase factors from solving Maxwell's equations on the Yee grid with the leapfrog scheme, is explicitly accounted for. Numerical solutions to the electrostatic-like modes in the 1-D dispersion relation for a cold drifting plasma are obtained for parameters of interest. In the succeeding analysis, we investigate how the finite grid instability arises from the interaction of the numerical modes admitted in the system and their aliases. The most significant interaction is due critically to the correct representation of the operators in the dispersion relation. We obtain a simple analytic expression for the peak growth rate due to this interaction, which is then verified by simulation. We demonstrate that our analysis is readily extendable to charge conserving models

  5. On the numerical dispersion of electromagnetic particle-in-cell code: Finite grid instability

    Science.gov (United States)

    Meyers, M. D.; Huang, C.-K.; Zeng, Y.; Yi, S. A.; Albright, B. J.

    2015-09-01

    The Particle-In-Cell (PIC) method is widely used in relativistic particle beam and laser plasma modeling. However, the PIC method exhibits numerical instabilities that can render unphysical simulation results or even destroy the simulation. For electromagnetic relativistic beam and plasma modeling, the most relevant numerical instabilities are the finite grid instability and the numerical Cherenkov instability. We review the numerical dispersion relation of the Electromagnetic PIC model. We rigorously derive the faithful 3-D numerical dispersion relation of the PIC model, for a simple, direct current deposition scheme, which does not conserve electric charge exactly. We then specialize to the Yee FDTD scheme. In particular, we clarify the presence of alias modes in an eigenmode analysis of the PIC model, which combines both discrete and continuous variables. The manner in which the PIC model updates and samples the fields and distribution function, together with the temporal and spatial phase factors from solving Maxwell's equations on the Yee grid with the leapfrog scheme, is explicitly accounted for. Numerical solutions to the electrostatic-like modes in the 1-D dispersion relation for a cold drifting plasma are obtained for parameters of interest. In the succeeding analysis, we investigate how the finite grid instability arises from the interaction of the numerical modes admitted in the system and their aliases. The most significant interaction is due critically to the correct representation of the operators in the dispersion relation. We obtain a simple analytic expression for the peak growth rate due to this interaction, which is then verified by simulation. We demonstrate that our analysis is readily extendable to charge conserving models.

  6. Output power fluctuations due to different weights of macro particles used in particle-in-cell simulations of Cerenkov devices

    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.

  7. Particle-in-Cell Calculations of the Electron Cloud in the ILC Positron Damping Ring Wigglers

    International Nuclear Information System (INIS)

    Celata, C.M.; Furman, M.A.; Vay, J.-L.; Grote, D.P.

    2007-01-01

    The self-consistent code suite WARP-POSINST is being used to study electron cloud effects in the ILC positron damping ring wiggler. WARP is a parallelized, 3D particle-in-cell code which is fully self-consistent for all species. The POSINST models for the production of photoelectrons and secondary electrons are used to calculate electron creation. Mesh refinement and a moving reference frame for the calculation will be used to reduce the computer time needed by several orders of magnitude. We present preliminary results for cloud buildup showing 3D electron effects at the nulls of the vertical wiggler field. First results from a benchmark of WARP-POSINST vs. POSINST are also discussed

  8. Stochastic plasma heating by electrostatic waves: a comparison between a particle-in-cell simulation and a laboratory experiment

    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

  9. Self-consistent calculation of atomic structure for mixture

    International Nuclear Information System (INIS)

    Meng Xujun; Bai Yun; Sun Yongsheng; Zhang Jinglin; Zong Xiaoping

    2000-01-01

    Based on relativistic Hartree-Fock-Slater self-consistent average atomic model, atomic structure for mixture is studied by summing up component volumes in mixture. Algorithmic procedure for solving both the group of Thomas-Fermi equations and the self-consistent atomic structure is presented in detail, and, some numerical results are discussed

  10. Quasi-Particle Self-Consistent GW for Molecules.

    Science.gov (United States)

    Kaplan, F; Harding, M E; Seiler, C; Weigend, F; Evers, F; van Setten, M J

    2016-06-14

    We present the formalism and implementation of quasi-particle self-consistent GW (qsGW) and eigenvalue only quasi-particle self-consistent GW (evGW) adapted to standard quantum chemistry packages. Our implementation is benchmarked against high-level quantum chemistry computations (coupled-cluster theory) and experimental results using a representative set of molecules. Furthermore, we compare the qsGW approach for five molecules relevant for organic photovoltaics to self-consistent GW results (scGW) and analyze the effects of the self-consistency on the ground state density by comparing calculated dipole moments to their experimental values. We show that qsGW makes a significant improvement over conventional G0W0 and that partially self-consistent flavors (in particular evGW) can be excellent alternatives.

  11. Performance of particle in cell methods on highly concurrent computational architectures

    International Nuclear Information System (INIS)

    Adams, M.F.; Ethier, S.; Wichmann, N.

    2009-01-01

    Particle in cell (PIC) methods are effective in computing Vlasov-Poisson system of equations used in simulations of magnetic fusion plasmas. PIC methods use grid based computations, for solving Poisson's equation or more generally Maxwell's equations, as well as Monte-Carlo type methods to sample the Vlasov equation. The presence of two types of discretizations, deterministic field solves and Monte-Carlo methods for the Vlasov equation, pose challenges in understanding and optimizing performance on today large scale computers which require high levels of concurrency. These challenges arises from the need to optimize two very different types of processes and the interactions between them. Modern cache based high-end computers have very deep memory hierarchies and high degrees of concurrency which must be utilized effectively to achieve good performance. The effective use of these machines requires maximizing concurrency by eliminating serial or redundant work and minimizing global communication. A related issue is minimizing the memory traffic between levels of the memory hierarchy because performance is often limited by the bandwidths and latencies of the memory system. This paper discusses some of the performance issues, particularly in regard to parallelism, of PIC methods. The gyrokinetic toroidal code (GTC) is used for these studies and a new radial grid decomposition is presented and evaluated. Scaling of the code is demonstrated on ITER sized plasmas with up to 16K Cray XT3/4 cores.

  12. Performance of particle in cell methods on highly concurrent computational architectures

    International Nuclear Information System (INIS)

    Adams, M F; Ethier, S; Wichmann, N

    2007-01-01

    Particle in cell (PIC) methods are effective in computing Vlasov-Poisson system of equations used in simulations of magnetic fusion plasmas. PIC methods use grid based computations, for solving Poisson's equation or more generally Maxwell's equations, as well as Monte-Carlo type methods to sample the Vlasov equation. The presence of two types of discretizations, deterministic field solves and Monte-Carlo methods for the Vlasov equation, pose challenges in understanding and optimizing performance on today large scale computers which require high levels of concurrency. These challenges arises from the need to optimize two very different types of processes and the interactions between them. Modern cache based high-end computers have very deep memory hierarchies and high degrees of concurrency which must be utilized effectively to achieve good performance. The effective use of these machines requires maximizing concurrency by eliminating serial or redundant work and minimizing global communication. A related issue is minimizing the memory traffic between levels of the memory hierarchy because performance is often limited by the bandwidths and latencies of the memory system. This paper discusses some of the performance issues, particularly in regard to parallelism, of PIC methods. The gyrokinetic toroidal code (GTC) is used for these studies and a new radial grid decomposition is presented and evaluated. Scaling of the code is demonstrated on ITER sized plasmas with up to 16K Cray XT3/4 cores

  13. Quasiparticle self-consistent GW method: a short summary

    International Nuclear Information System (INIS)

    Kotani, Takao; Schilfgaarde, Mark van; Faleev, Sergey V; Chantis, Athanasios

    2007-01-01

    We have developed a quasiparticle self-consistent GW method (QSGW), which is a new self-consistent method to calculate the electronic structure within the GW approximation. The method is formulated based on the idea of a self-consistent perturbation; the non-interacting Green function G 0 , which is the starting point for GWA to obtain G, is determined self-consistently so as to minimize the perturbative correction generated by GWA. After self-consistency is attained, we have G 0 , W (the screened Coulomb interaction) and G self-consistently. This G 0 can be interpreted as the optimum non-interacting propagator for the quasiparticles. We will summarize some theoretical discussions to justify QSGW. Then we will survey results which have been obtained up to now: e.g., band gaps for normal semiconductors are predicted to a precision of 0.1-0.3 eV; the self-consistency including the off-diagonal part is required for NiO and MnO; and so on. There are still some remaining disagreements with experiments; however, they are very systematic, and can be explained from the neglect of excitonic effects

  14. A relativistic self-consistent model for studying enhancement of space charge limited emission due to counter-streaming ions

    Science.gov (United States)

    Lin, M. C.; Verboncoeur, J.

    2016-10-01

    A maximum electron current transmitted through a planar diode gap is limited by space charge of electrons dwelling across the gap region, the so called space charge limited (SCL) emission. By introducing a counter-streaming ion flow to neutralize the electron charge density, the SCL emission can be dramatically raised, so electron current transmission gets enhanced. In this work, we have developed a relativistic self-consistent model for studying the enhancement of maximum transmission by a counter-streaming ion current. The maximum enhancement is found when the ion effect is saturated, as shown analytically. The solutions in non-relativistic, intermediate, and ultra-relativistic regimes are obtained and verified with 1-D particle-in-cell simulations. This self-consistent model is general and can also serve as a comparison for verification of simulation codes, as well as extension to higher dimensions.

  15. Self-consistent normal ordering of gauge field theories

    International Nuclear Information System (INIS)

    Ruehl, W.

    1987-01-01

    Mean-field theories with a real action of unconstrained fields can be self-consistently normal ordered. This leads to a considerable improvement over standard mean-field theory. This concept is applied to lattice gauge theories. First an appropriate real action mean-field theory is constructed. The equations determining the Gaussian kernel necessary for self-consistent normal ordering of this mean-field theory are derived. (author). 4 refs

  16. Self-consistency corrections in effective-interaction calculations

    International Nuclear Information System (INIS)

    Starkand, Y.; Kirson, M.W.

    1975-01-01

    Large-matrix extended-shell-model calculations are used to compute self-consistency corrections to the effective interaction and to the linked-cluster effective interaction. The corrections are found to be numerically significant and to affect the rate of convergence of the corresponding perturbation series. The influence of various partial corrections is tested. It is concluded that self-consistency is an important effect in determining the effective interaction and improving the rate of convergence. (author)

  17. Parquet equations for numerical self-consistent-field theory

    International Nuclear Information System (INIS)

    Bickers, N.E.

    1991-01-01

    In recent years increases in computational power have provided new motivation for the study of self-consistent-field theories for interacting electrons. In this set of notes, the so-called parquet equations for electron systems are derived pedagogically. The principal advantages of the parquet approach are outlined, and its relationship to simpler self-consistent-field methods, including the Baym-Kadanoff technique, is discussed in detail. (author). 14 refs, 9 figs

  18. SHARP: A Spatially Higher-order, Relativistic Particle-in-cell Code

    Energy Technology Data Exchange (ETDEWEB)

    Shalaby, Mohamad; Broderick, Avery E. [Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, ON, N2L 3G1 (Canada); Chang, Philip [Department of Physics, University of Wisconsin-Milwaukee, 1900 E. Kenwood Boulevard, Milwaukee, WI 53211 (United States); Pfrommer, Christoph [Leibniz-Institut für Astrophysik Potsdam (AIP), An der Sternwarte 16, D-14482 Potsdam (Germany); Lamberts, Astrid [Theoretical Astrophysics, California Institute of Technology, Pasadena, CA 91125 (United States); Puchwein, Ewald, E-mail: mshalaby@live.ca [Institute of Astronomy and Kavli Institute for Cosmology, University of Cambridge, Madingley Road, Cambridge, CB3 0HA (United Kingdom)

    2017-05-20

    Numerical heating in particle-in-cell (PIC) codes currently precludes the accurate simulation of cold, relativistic plasma over long periods, severely limiting their applications in astrophysical environments. We present a spatially higher-order accurate relativistic PIC algorithm in one spatial dimension, which conserves charge and momentum exactly. We utilize the smoothness implied by the usage of higher-order interpolation functions to achieve a spatially higher-order accurate algorithm (up to the fifth order). We validate our algorithm against several test problems—thermal stability of stationary plasma, stability of linear plasma waves, and two-stream instability in the relativistic and non-relativistic regimes. Comparing our simulations to exact solutions of the dispersion relations, we demonstrate that SHARP can quantitatively reproduce important kinetic features of the linear regime. Our simulations have a superior ability to control energy non-conservation and avoid numerical heating in comparison to common second-order schemes. We provide a natural definition for convergence of a general PIC algorithm: the complement of physical modes captured by the simulation, i.e., those that lie above the Poisson noise, must grow commensurately with the resolution. This implies that it is necessary to simultaneously increase the number of particles per cell and decrease the cell size. We demonstrate that traditional ways for testing for convergence fail, leading to plateauing of the energy error. This new PIC code enables us to faithfully study the long-term evolution of plasma problems that require absolute control of the energy and momentum conservation.

  19. Particle-in-cell simulation of Trichel pulses in pure oxygen

    International Nuclear Information System (INIS)

    Soria-Hoyo, C; Pontiga, F; Castellanos, A

    2007-01-01

    The development and propagation of Trichel pulses in oxygen have been numerically simulated using an improved fluid particle-in-cell (PIC) method. The numerical method has been optimized to accurately reproduce sequences of about 100 Trichel pulses (∼1 ms). A classical one-dimensional model of negative corona in sphere-to-plane geometry has been used to formulate the continuity equations for electrons and ions. The effects of ionization, attachment and secondary-electron emission from the cathode have all been considered. The electric field has been obtained from the solution of Poisson's equation in two dimensions. Using this model, the temporal and electrical characteristics of Trichel pulses have been investigated, in particular, the relation between applied voltage, pulse frequency and time-averaged current intensity and charge

  20. Particle-in-cell simulation of Trichel pulses in pure oxygen

    Energy Technology Data Exchange (ETDEWEB)

    Soria-Hoyo, C [Dpto. Electronica y Electromagnetismo, Universidad de Sevilla, Avda. Reina Mercedes s/n, Sevilla 41012 (Spain); Pontiga, F [Dpto. Fisica Aplicada II, Universidad de Sevilla, Avda. Reina Mercedes s/n, Sevilla 41012 (Spain); Castellanos, A [Dpto. Electronica y Electromagnetismo, Universidad de Sevilla, Avda. Reina Mercedes s/n, Sevilla 41012 (Spain)

    2007-08-07

    The development and propagation of Trichel pulses in oxygen have been numerically simulated using an improved fluid particle-in-cell (PIC) method. The numerical method has been optimized to accurately reproduce sequences of about 100 Trichel pulses ({approx}1 ms). A classical one-dimensional model of negative corona in sphere-to-plane geometry has been used to formulate the continuity equations for electrons and ions. The effects of ionization, attachment and secondary-electron emission from the cathode have all been considered. The electric field has been obtained from the solution of Poisson's equation in two dimensions. Using this model, the temporal and electrical characteristics of Trichel pulses have been investigated, in particular, the relation between applied voltage, pulse frequency and time-averaged current intensity and charge.

  1. A Generalized Weight-Based Particle-In-Cell Simulation Scheme

    International Nuclear Information System (INIS)

    Lee, W.W.; Jenkins, T.G.; Ethier, S.

    2010-01-01

    A generalized weight-based particle simulation scheme suitable for simulating magnetized plasmas, where the zeroth-order inhomogeneity is important, is presented. The scheme is an extension of the perturbative simulation schemes developed earlier for particle-in-cell (PIC) simulations. The new scheme is designed to simulate both the perturbed distribution ((delta)f) and the full distribution (full-F) within the same code. The development is based on the concept of multiscale expansion, which separates the scale lengths of the background inhomogeneity from those associated with the perturbed distributions. The potential advantage for such an arrangement is to minimize the particle noise by using (delta)f in the linear stage stage of the simulation, while retaining the flexibility of a full-F capability in the fully nonlinear stage of the development when signals associated with plasma turbulence are at a much higher level than those from the intrinsic particle noise.

  2. Plume expansion of a laser-induced plasma studied with the particle-in-cell method

    DEFF Research Database (Denmark)

    Ellegaard, O.; Nedelea, T.; Schou, Jørgen

    2002-01-01

    energy as well as electron energy. We have estimated the time constant for energy transfer between the electrons and the ions. The scaling of these processes is given by a single parameter determined by the Debye length obtained from the electron density in the plasma outside the surface. (C) 2002......The initial stage of laser-induced plasma plume expansion from a solid in vacuum and the effect of the Coulomb field have been studied. We have performed a one-dimensional numerical calculation by mapping the charge on a computational grid according to the particle-in-cell (PIC) method of Birdsall...... et al. It is assumed that the particle ablation from a surface with a fixed temperature takes place as a pulse, i.e. within a finite period of time. A number of characteristic quantities for the plasma plume are compared with similar data for expansion of neutrals as well as fluid models: Density...

  3. Collisional particle-in-cell modeling for energy transport accompanied by atomic processes in dense plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, R.; Beg, F. N. [Center for Energy Research, University of California, San Diego, California 92093 (United States); Leblanc, P.; Sentoku, Y. [Department of Physics, University of Nevada, Reno, Nevada 89557 (United States); Wei, M. S. [General Atomics, San Diego, California 92121 (United States)

    2013-07-15

    Fully relativistic collisional Particle-in-Cell (PIC) code, PICLS, has been developed to study extreme energy density conditions produced in intense laser-solid interaction. Recent extensions to PICLS, such as the implementation of dynamic ionization, binary collisions in a partially ionized plasma, and radiative losses, enhance the efficacy of simulating intense laser plasma interaction and subsequent energy transport in resistive media. Different ionization models are introduced and benchmarked against each other to check the suitability of the model. The atomic physics models are critical to determine the energy deposition and transport in dense plasmas, especially when they consist of high Z (atomic number) materials. Finally we demonstrate the electron transport simulations to show the importance of target material on fast electron dynamics.

  4. Wavelet-Based Poisson Solver for Use in Particle-in-Cell Simulations

    CERN Document Server

    Terzic, Balsa; Mihalcea, Daniel; Pogorelov, Ilya V

    2005-01-01

    We report on a successful implementation of a wavelet-based Poisson solver for use in 3D particle-in-cell simulations. One new aspect of our algorithm is its ability to treat the general (inhomogeneous) Dirichlet boundary conditions. The solver harnesses advantages afforded by the wavelet formulation, such as sparsity of operators and data sets, existence of effective preconditioners, and the ability simultaneously to remove numerical noise and further compress relevant data sets. Having tested our method as a stand-alone solver on two model problems, we merged it into IMPACT-T to obtain a fully functional serial PIC code. We present and discuss preliminary results of application of the new code to the modelling of the Fermilab/NICADD and AES/JLab photoinjectors.

  5. Development of a relativistic Particle In Cell code PARTDYN for linear accelerator beam transport

    Energy Technology Data Exchange (ETDEWEB)

    Phadte, D., E-mail: deepraj@rrcat.gov.in [LPD, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Patidar, C.B.; Pal, M.K. [MAASD, Raja Ramanna Centre for Advanced Technology, Indore (India)

    2017-04-11

    A relativistic Particle In Cell (PIC) code PARTDYN is developed for the beam dynamics simulation of z-continuous and bunched beams. The code is implemented in MATLAB using its MEX functionality which allows both ease of development as well higher performance similar to a compiled language like C. The beam dynamics calculations carried out by the code are compared with analytical results and with other well developed codes like PARMELA and BEAMPATH. The effect of finite number of simulation particles on the emittance growth of intense beams has been studied. Corrections to the RF cavity field expressions were incorporated in the code so that the fields could be calculated correctly. The deviations of the beam dynamics results between PARTDYN and BEAMPATH for a cavity driven in zero-mode have been discussed. The beam dynamics studies of the Low Energy Beam Transport (LEBT) using PARTDYN have been presented.

  6. Self-consistent electrodynamic scattering in the symmetric Bragg case

    International Nuclear Information System (INIS)

    Campos, H.S.

    1988-01-01

    We have analyzed the symmetric Bragg case, introducing a model of self consistent scattering for two elliptically polarized beams. The crystal is taken as a set of mathematical planes, each of them defined by a surface density of dipoles. We have considered the mesofield and the epifield differently from that of the Ewald's theory and, we assumed a plane of dipoles and the associated fields as a self consistent scattering unit. The exact analytical treatment when applied to any two neighbouring planes, results in a general and self consistent Bragg's equation, in terms of the amplitude and phase variations. The generalized solution for the set of N planes was obtained after introducing an absorption factor in the incident radiation, in two ways: (i) the analytical one, through a rule of field similarity, which says that the incidence occurs in both faces of the all crystal planes and also, through a matricial development with the Chebyshev polynomials; (ii) using the numerical solution we calculated, iteratively, the reflectivity, the reflection phase, the transmissivity, the transmission phase and the energy. The results are showed through reflection and transmission curves, which are characteristics as from kinematical as dynamical theories. The conservation of the energy results from the Ewald's self consistency principle is used. In the absorption case, the results show that it is not the only cause for the asymmetric form in the reflection curves. The model contains basic elements for a unified, microscope, self consistent, vectorial and exact formulation for interpretating the X ray diffraction in perfect crystals. (author)

  7. Three-dimensional particle-in-cell simulation on gain saturation effect of microchannel plate

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qiangqiang; Yuan, Zheng; Cao, Zhurong, E-mail: cao33jin@aliyun.com; Deng, Bo; Chen, Tao; Deng, Keli [Research Center of Laser Fusion, Chinese Academy of Engineering Physics, Mianyang, Sichuan 621900 (China)

    2016-07-15

    We present here the results of the simulation work, using the three-dimensional particle-in-cell method, on the performance of the lead glass microchannel plate under saturated state. We calculated the electron cascade process with different DC bias voltages under both self-consistent condition and non-self-consistent condition. The comparative results have demonstrated that the strong self-consistent field can suppress the cascade process and make the microchannel plate saturated. The simulation results were also compared to the experimental data and good agreement was obtained. The simulation results also show that the electron multiplication process in the channel is accompanied by the buildup process of positive charges in the channel wall. Though the interactions among the secondary electron cloud in the channel, the positive charges in the channel wall, and the external acceleration field can make the electron-surface collision more frequent, the collision energy will be inevitably reduced, thus the electron gain will also be reduced.

  8. Self-consistent approximations beyond the CPA: Part II

    International Nuclear Information System (INIS)

    Kaplan, T.; Gray, L.J.

    1982-01-01

    This paper concentrates on a self-consistent approximation for random alloys developed by Kaplan, Leath, Gray, and Diehl. The construction of the augmented space formalism for a binary alloy is sketched, and the notation to be used derived. Using the operator methods of the augmented space, the self-consistent approximation is derived for the average Green's function, and for evaluating the self-energy, taking into account the scattering by clusters of excitations. The particular cluster approximation desired is derived by treating the scattering by the excitations with S /SUB T/ exactly. Fourier transforms on the disorder-space clustersite labels solve the self-consistent set of equations. Expansion to short range order in the alloy is also discussed. A method to reduce the problem to a computationally tractable form is described

  9. Linear augmented plane wave method for self-consistent calculations

    International Nuclear Information System (INIS)

    Takeda, T.; Kuebler, J.

    1979-01-01

    O.K. Andersen has recently introduced a linear augmented plane wave method (LAPW) for the calculation of electronic structure that was shown to be computationally fast. A more general formulation of an LAPW method is presented here. It makes use of a freely disposable number of eigenfunctions of the radial Schroedinger equation. These eigenfunctions can be selected in a self-consistent way. The present formulation also results in a computationally fast method. It is shown that Andersen's LAPW is obtained in a special limit from the present formulation. Self-consistent test calculations for copper show the present method to be remarkably accurate. As an application, scalar-relativistic self-consistent calculations are presented for the band structure of FCC lanthanum. (author)

  10. Self-consistency and coherent effects in nonlinear resonances

    International Nuclear Information System (INIS)

    Hofmann, I.; Franchetti, G.; Qiang, J.; Ryne, R. D.

    2003-01-01

    The influence of space charge on emittance growth is studied in simulations of a coasting beam exposed to a strong octupolar perturbation in an otherwise linear lattice, and under stationary parameters. We explore the importance of self-consistency by comparing results with a non-self-consistent model, where the space charge electric field is kept 'frozen-in' to its initial values. For Gaussian distribution functions we find that the 'frozen-in' model results in a good approximation of the self-consistent model, hence coherent response is practically absent and the emittance growth is self-limiting due to space charge de-tuning. For KV or waterbag distributions, instead, strong coherent response is found, which we explain in terms of absence of Landau damping

  11. An approach to a self-consistent nuclear energy system

    International Nuclear Information System (INIS)

    Fujii-e, Yoichi; Arie, Kazuo; Endo, Hiroshi

    1992-01-01

    A nuclear energy system should provide a stable supply of energy without endangering the environment or humans. If there is fear about exhausting world energy resources, accumulating radionuclides, and nuclear reactor safety, tension is created in human society. Nuclear energy systems of the future should be able to eliminate fear from people's minds. In other words, the whole system, including the nuclear fuel cycle, should be self-consistent. This is the ultimate goal of nuclear energy. If it can be realized, public acceptance of nuclear energy will increase significantly. In a self-consistent nuclear energy system, misunderstandings between experts on nuclear energy and the public should be minimized. The way to achieve this goal is to explain using simple logic. This paper proposes specific targets for self-consistent nuclear energy systems and shows that the fast breeder reactor (FBR) lies on the route to attaining the final goal

  12. Modeling an emittance-dominated elliptical sheet beam with a 212-dimensional particle-in-cell code

    International Nuclear Information System (INIS)

    Carlsten, Bruce E.

    2005-01-01

    Modeling a 3-dimensional (3-D) elliptical beam with a 212-D particle-in-cell (PIC) code requires a reduction in the beam parameters. The 212-D PIC code can only model the center slice of the sheet beam, but that can still provide useful information about the beam transport and distribution evolution, even if the beam is emittance dominated. The reduction of beam parameters and resulting interpretation of the simulation is straightforward, but not trivial. In this paper, we describe the beam parameter reduction and emittance issues related to the initial beam distribution. As a numerical example, we use the case of a sheet beam designed for use with a planar traveling-wave amplifier for high power generator for RF ranging from 95 to 300GHz [Carlsten et al., IEEE Trans. Plasma Sci. 33 (2005) 85]. These numerical techniques also apply to modeling high-energy elliptical bunches in RF accelerators

  13. ANTHEM: a two-dimensional multicomponent self-consistent hydro-electron transport code for laser-matter interaction studies

    International Nuclear Information System (INIS)

    Mason, R.J.

    1982-01-01

    The ANTHEM code for the study of CO 2 -laser-generated transport is outlined. ANTHEM treats the background plasma as coupled Eulerian thermal and ion fluids, and the suprathermal electrons as either a third fluid or a body of evolving collisional PIC particles. The electrons scatter off the ions; the suprathermals drag against the thermal background. Self-consistent E- and B-fields are computed by the Implicit Moment Method. The current status of the code is described. Typical output from ANTHEM is discussed with special application to Augmented-Return-Current CO 2 -laser-driven targets

  14. SOCIAL COMPARISON, SELF-CONSISTENCY AND THE PRESENTATION OF SELF.

    Science.gov (United States)

    MORSE, STANLEY J.; GERGEN, KENNETH J.

    TO DISCOVER HOW A PERSON'S (P) SELF-CONCEPT IS AFFECTED BY THE CHARACTERISTICS OF ANOTHER (O) WHO SUDDENLY APPEARS IN THE SAME SOCIAL ENVIRONMENT, SEVERAL QUESTIONNAIRES, INCLUDING THE GERGEN-MORSE (1967) SELF-CONSISTENCY SCALE AND HALF THE COOPERSMITH SELF-ESTEEM INVENTORY, WERE ADMINISTERED TO 78 UNDERGRADUATE MEN WHO HAD ANSWERED AN AD FOR WORK…

  15. Final Report Fermionic Symmetries and Self consistent Shell Model

    International Nuclear Information System (INIS)

    Zamick, Larry

    2008-01-01

    In this final report in the field of theoretical nuclear physics we note important accomplishments.We were confronted with 'anomoulous' magnetic moments by the experimetalists and were able to expain them. We found unexpected partial dynamical symmetries--completely unknown before, and were able to a large extent to expain them. The importance of a self consistent shell model was emphasized.

  16. Analytical relativistic self-consistent-field calculations for atoms

    International Nuclear Information System (INIS)

    Barthelat, J.C.; Pelissier, M.; Durand, P.

    1980-01-01

    A new second-order representation of the Dirac equation is presented. This representation which is exact for a hydrogen atom is applied to approximate analytical self-consistent-field calculations for atoms. Results are given for the rare-gas atoms from helium to radon and for lead. The results compare favorably with numerical Dirac-Hartree-Fock solutions

  17. Self-consistent description of the isospin mixing

    International Nuclear Information System (INIS)

    Gabrakov, S.I.; Pyatov, N.I.; Baznat, M.I.; Salamov, D.I.

    1978-03-01

    The properties of collective 0 + states built of unlike particle-hole excitations in spherical nuclei have been investigated in a self-consistent microscopic approach. These states arise when the broken isospin symmetry of the nuclear shell model Hamiltonian is restored. The numerical calculations were performed with Woods-Saxon wave functions

  18. Electromagnetic particle-in-cell simulations of the solar wind interaction with lunar magnetic anomalies.

    Science.gov (United States)

    Deca, J; Divin, A; Lapenta, G; Lembège, B; Markidis, S; Horányi, M

    2014-04-18

    We present the first three-dimensional fully kinetic and electromagnetic simulations of the solar wind interaction with lunar crustal magnetic anomalies (LMAs). Using the implicit particle-in-cell code iPic3D, we confirm that LMAs may indeed be strong enough to stand off the solar wind from directly impacting the lunar surface forming a mini-magnetosphere, as suggested by spacecraft observations and theory. In contrast to earlier magnetohydrodynamics and hybrid simulations, the fully kinetic nature of iPic3D allows us to investigate the space charge effects and in particular the electron dynamics dominating the near-surface lunar plasma environment. We describe for the first time the interaction of a dipole model centered just below the lunar surface under plasma conditions such that only the electron population is magnetized. The fully kinetic treatment identifies electromagnetic modes that alter the magnetic field at scales determined by the electron physics. Driven by strong pressure anisotropies, the mini-magnetosphere is unstable over time, leading to only temporal shielding of the surface underneath. Future human exploration as well as lunar science in general therefore hinges on a better understanding of LMAs.

  19. Low-noise electromagnetic δf particle-in-cell simulation of electron Bernstein waves

    International Nuclear Information System (INIS)

    Xiang Nong; Cary, John R.; Barnes, Daniel C.; Carlsson, John

    2006-01-01

    The conversion of the extraordinary (X) mode to an electron Bernstein wave (EBW) is one way to get rf energy into an overdense plasma. Analysis of this is complex, as the EBW is a fully kinetic wave, and so its linear propagation is described by an intractable integro-differential equation. Nonlinear effects cannot be calculated within this rubric at all. Full particle-in-cell (PIC) simulations cannot be used for these analyses, as the noise levels for reasonable simulation parameters are much greater than the typical rf amplitudes. It is shown that the delta-f computations are effective for this analysis. In particular, the accuracy of those computations has been verified by comparison with full PIC, cold plasma theory, and small gyroradius theory. This computational method is then used to analyze mode conversion in different frequency regimes. In particular, reasonable agreement with the theoretical predictions of Ram and Schultz [Phys. Plasmas 7, 4084 (2000)] in the linear regime is found, where 100% X-B mode conversion has been obtained when the driving frequency is less than twice the electron gyrofrequency. The results show that cold-plasma theory well predicts the mode conversion efficiency, as is consistent with the phase-space picture of mode conversion. From this it can be shown that nearly 100% X-B mode conversion cannot be obtained when the frequency is higher than the electron second harmonic cyclotron frequency

  20. Novel methods in the Particle-In-Cell accelerator Code-Framework Warp

    Energy Technology Data Exchange (ETDEWEB)

    Vay, J-L [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Grote, D. P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Cohen, R. H. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Friedman, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2012-12-26

    The Particle-In-Cell (PIC) Code-Framework Warp is being developed by the Heavy Ion Fusion Science Virtual National Laboratory (HIFS-VNL) to guide the development of accelerators that can deliver beams suitable for high-energy density experiments and implosion of inertial fusion capsules. It is also applied in various areas outside the Heavy Ion Fusion program to the study and design of existing and next-generation high-energy accelerators, including the study of electron cloud effects and laser wakefield acceleration for example. This study presents an overview of Warp's capabilities, summarizing recent original numerical methods that were developed by the HIFS-VNL (including PIC with adaptive mesh refinement, a large-timestep 'drift-Lorentz' mover for arbitrarily magnetized species, a relativistic Lorentz invariant leapfrog particle pusher, simulations in Lorentz-boosted frames, an electromagnetic solver with tunable numerical dispersion and efficient stride-based digital filtering), with special emphasis on the description of the mesh refinement capability. In addition, selected examples of the applications of the methods to the abovementioned fields are given.

  1. An incompressible two-dimensional multiphase particle-in-cell model for dense particle flows

    Energy Technology Data Exchange (ETDEWEB)

    Snider, D.M. [SAIC, Albuquerque, NM (United States); O`Rourke, P.J. [Los Alamos National Lab., NM (United States); Andrews, M.J. [Texas A and M Univ., College Station, TX (United States). Dept. of Mechanical Engineering

    1997-06-01

    A two-dimensional, incompressible, multiphase particle-in-cell (MP-PIC) method is presented for dense particle flows. The numerical technique solves the governing equations of the fluid phase using a continuum model and those of the particle phase using a Lagrangian model. Difficulties associated with calculating interparticle interactions for dense particle flows with volume fractions above 5% have been eliminated by mapping particle properties to a Eulerian grid and then mapping back computed stress tensors to particle positions. This approach utilizes the best of Eulerian/Eulerian continuum models and Eulerian/Lagrangian discrete models. The solution scheme allows for distributions of types, sizes, and density of particles, with no numerical diffusion from the Lagrangian particle calculations. The computational method is implicit with respect to pressure, velocity, and volume fraction in the continuum solution thus avoiding courant limits on computational time advancement. MP-PIC simulations are compared with one-dimensional problems that have analytical solutions and with two-dimensional problems for which there are experimental data.

  2. Program Package for 3d PIC Model of Plasma Fiber

    Science.gov (United States)

    Kulhánek, Petr; Břeň, David

    2007-08-01

    A fully three dimensional Particle in Cell model of the plasma fiber had been developed. The code is written in FORTRAN 95, implementation CVF (Compaq Visual Fortran) under Microsoft Visual Studio user interface. Five particle solvers and two field solvers are included in the model. The solvers have relativistic and non-relativistic variants. The model can deal both with periodical and non-periodical boundary conditions. The mechanism of the surface turbulences generation in the plasma fiber was successfully simulated with the PIC program package.

  3. Particle-in-cell numerical simulations of a cylindrical Hall thruster with permanent magnets

    Science.gov (United States)

    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.

  4. Load-balancing techniques for a parallel electromagnetic particle-in-cell code

    Energy Technology Data Exchange (ETDEWEB)

    PLIMPTON,STEVEN J.; SEIDEL,DAVID B.; PASIK,MICHAEL F.; COATS,REBECCA S.

    2000-01-01

    QUICKSILVER is a 3-d electromagnetic particle-in-cell simulation code developed and used at Sandia to model relativistic charged particle transport. It models the time-response of electromagnetic fields and low-density-plasmas in a self-consistent manner: the fields push the plasma particles and the plasma current modifies the fields. Through an LDRD project a new parallel version of QUICKSILVER was created to enable large-scale plasma simulations to be run on massively-parallel distributed-memory supercomputers with thousands of processors, such as the Intel Tflops and DEC CPlant machines at Sandia. The new parallel code implements nearly all the features of the original serial QUICKSILVER and can be run on any platform which supports the message-passing interface (MPI) standard as well as on single-processor workstations. This report describes basic strategies useful for parallelizing and load-balancing particle-in-cell codes, outlines the parallel algorithms used in this implementation, and provides a summary of the modifications made to QUICKSILVER. It also highlights a series of benchmark simulations which have been run with the new code that illustrate its performance and parallel efficiency. These calculations have up to a billion grid cells and particles and were run on thousands of processors. This report also serves as a user manual for people wishing to run parallel QUICKSILVER.

  5. Load-balancing techniques for a parallel electromagnetic particle-in-cell code

    International Nuclear Information System (INIS)

    Plimpton, Steven J.; Seidel, David B.; Pasik, Michael F.; Coats, Rebecca S.

    2000-01-01

    QUICKSILVER is a 3-d electromagnetic particle-in-cell simulation code developed and used at Sandia to model relativistic charged particle transport. It models the time-response of electromagnetic fields and low-density-plasmas in a self-consistent manner: the fields push the plasma particles and the plasma current modifies the fields. Through an LDRD project a new parallel version of QUICKSILVER was created to enable large-scale plasma simulations to be run on massively-parallel distributed-memory supercomputers with thousands of processors, such as the Intel Tflops and DEC CPlant machines at Sandia. The new parallel code implements nearly all the features of the original serial QUICKSILVER and can be run on any platform which supports the message-passing interface (MPI) standard as well as on single-processor workstations. This report describes basic strategies useful for parallelizing and load-balancing particle-in-cell codes, outlines the parallel algorithms used in this implementation, and provides a summary of the modifications made to QUICKSILVER. It also highlights a series of benchmark simulations which have been run with the new code that illustrate its performance and parallel efficiency. These calculations have up to a billion grid cells and particles and were run on thousands of processors. This report also serves as a user manual for people wishing to run parallel QUICKSILVER

  6. Fusion PIC code performance analysis on the Cori KNL system

    Energy Technology Data Exchange (ETDEWEB)

    Koskela, Tuomas S. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Deslippe, Jack [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Friesen, Brian [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC); Raman, Karthic [INTEL Corp. (United States)

    2017-05-25

    We study the attainable performance of Particle-In-Cell codes on the Cori KNL system by analyzing a miniature particle push application based on the fusion PIC code XGC1. We start from the most basic building blocks of a PIC code and build up the complexity to identify the kernels that cost the most in performance and focus optimization efforts there. Particle push kernels operate at high AI and are not likely to be memory bandwidth or even cache bandwidth bound on KNL. Therefore, we see only minor benefits from the high bandwidth memory available on KNL, and achieving good vectorization is shown to be the most beneficial optimization path with theoretical yield of up to 8x speedup on KNL. In practice we are able to obtain up to a 4x gain from vectorization due to limitations set by the data layout and memory latency.

  7. Development of in-situ visualization tool for PIC simulation

    International Nuclear Information System (INIS)

    Ohno, Nobuaki; Ohtani, Hiroaki

    2014-01-01

    As the capability of a supercomputer is improved, the sizes of simulation and its output data also become larger and larger. Visualization is usually carried out on a researcher's PC with interactive visualization software after performing the computer simulation. However, the data size is becoming too large to do it currently. A promising answer is in-situ visualization. For this case a simulation code is coupled with the visualization code and visualization is performed with the simulation on the same supercomputer. We developed an in-situ visualization tool for particle-in-cell (PIC) simulation and it is provided as a Fortran's module. We coupled it with a PIC simulation code and tested the coupled code on Plasma Simulator supercomputer, and ensured that it works. (author)

  8. Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: exactly solvable two-site Hubbard model.

    Science.gov (United States)

    Kutepov, A L

    2015-08-12

    Self-consistent solutions of Hedin's equations (HE) for the two-site Hubbard model (HM) have been studied. They have been found for three-point vertices of increasing complexity (Γ = 1 (GW approximation), Γ1 from the first-order perturbation theory, and the exact vertex Γ(E)). Comparison is made between the cases when an additional quasiparticle (QP) approximation for Green's functions is applied during the self-consistent iterative solving of HE and when QP approximation is not applied. The results obtained with the exact vertex are directly related to the present open question-which approximation is more advantageous for future implementations, GW + DMFT or QPGW + DMFT. It is shown that in a regime of strong correlations only the originally proposed GW + DMFT scheme is able to provide reliable results. Vertex corrections based on perturbation theory (PT) systematically improve the GW results when full self-consistency is applied. The application of QP self-consistency combined with PT vertex corrections shows similar problems to the case when the exact vertex is applied combined with QP sc. An analysis of Ward Identity violation is performed for all studied in this work's approximations and its relation to the general accuracy of the schemes used is provided.

  9. Quantitative verification of ab initio self-consistent laser theory.

    Science.gov (United States)

    Ge, Li; Tandy, Robert J; Stone, A D; Türeci, Hakan E

    2008-10-13

    We generalize and test the recent "ab initio" self-consistent (AISC) time-independent semiclassical laser theory. This self-consistent formalism generates all the stationary lasing properties in the multimode regime (frequencies, thresholds, internal and external fields, output power and emission pattern) from simple inputs: the dielectric function of the passive cavity, the atomic transition frequency, and the transverse relaxation time of the lasing transition.We find that the theory gives excellent quantitative agreement with full time-dependent simulations of the Maxwell-Bloch equations after it has been generalized to drop the slowly-varying envelope approximation. The theory is infinite order in the non-linear hole-burning interaction; the widely used third order approximation is shown to fail badly.

  10. Self-consistent studies of magnetic thin film Ni (001)

    International Nuclear Information System (INIS)

    Wang, C.S.; Freeman, A.J.

    1979-01-01

    Advances in experimental methods for studying surface phenomena have provided the stimulus to develop theoretical methods capable of interpreting this wealth of new information. Of particular interest have been the relative roles of bulk and surface contributions since in several important cases agreement between experiment and bulk self-consistent (SC) calculations within the local spin density functional formalism (LSDF) is lacking. We discuss our recent extension of the (LSDF) approach to the study of thin films (slabs) and the role of surface effects on magnetic properties. Results are described for Ni (001) films using our new SC numerical basis set LCAO method. Self-consistency within the superposition of overlapping spherical atomic charge density model is obtained iteratively with the atomic configuration as the adjustable parameter. Results are presented for the electronic charge densities and local density of states. The origin and role of (magnetic) surface states is discussed by comparison with results of earlier bulk calculations

  11. Self-consistent equilibria in the pulsar magnetosphere

    International Nuclear Information System (INIS)

    Endean, V.G.

    1976-01-01

    For a 'collisionless' pulsar magnetosphere the self-consistent equilibrium particle distribution functions are functions of the constants of the motion ony. Reasons are given for concluding that to a good approximation they will be functions of the rotating frame Hamiltonian only. This is shown to result in a rigid rotation of the plasma, which therefore becomes trapped inside the velocity of light cylinder. The self-consistent field equations are derived, and a method of solving them is illustrated. The axial component of the magnetic field decays to zero at the plasma boundary. In practice, some streaming of particles into the wind zone may occur as a second-order effect. Acceleration of such particles to very high energies is expected when they approach the velocity of light cylinder, but they cannot be accelerated to very high energies near the star. (author)

  12. Self-consistent modelling of resonant tunnelling structures

    DEFF Research Database (Denmark)

    Fiig, T.; Jauho, A.P.

    1992-01-01

    We report a comprehensive study of the effects of self-consistency on the I-V-characteristics of resonant tunnelling structures. The calculational method is based on a simultaneous solution of the effective-mass Schrödinger equation and the Poisson equation, and the current is evaluated...... applied voltages and carrier densities at the emitter-barrier interface. We include the two-dimensional accumulation layer charge and the quantum well charge in our self-consistent scheme. We discuss the evaluation of the current contribution originating from the two-dimensional accumulation layer charges......, and our qualitative estimates seem consistent with recent experimental studies. The intrinsic bistability of resonant tunnelling diodes is analyzed within several different approximation schemes....

  13. Self-consistent T-matrix theory of superconductivity

    Czech Academy of Sciences Publication Activity Database

    Šopík, B.; Lipavský, Pavel; Männel, M.; Morawetz, K.; Matlock, P.

    2011-01-01

    Roč. 84, č. 9 (2011), 094529/1-094529/13 ISSN 1098-0121 R&D Projects: GA ČR GAP204/10/0212; GA ČR(CZ) GAP204/11/0015 Institutional research plan: CEZ:AV0Z10100521 Keywords : superconductivity * T-matrix * superconducting gap * restricted self-consistency Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011

  14. Canonical symplectic particle-in-cell method for long-term large-scale simulations of the Vlasov–Maxwell equations

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Hong; Liu, Jian; Xiao, Jianyuan; Zhang, Ruili; He, Yang; Wang, Yulei; Sun, Yajuan; Burby, Joshua W.; Ellison, Leland; Zhou, Yao

    2015-12-14

    Particle-in-cell (PIC) simulation is the most important numerical tool in plasma physics. However, its long-term accuracy has not been established. To overcome this difficulty, we developed a canonical symplectic PIC method for the Vlasov-Maxwell system by discretising its canonical Poisson bracket. A fast local algorithm to solve the symplectic implicit time advance is discovered without root searching or global matrix inversion, enabling applications of the proposed method to very large-scale plasma simulations with many, e.g. 10(9), degrees of freedom. The long-term accuracy and fidelity of the algorithm enables us to numerically confirm Mouhot and Villani's theory and conjecture on nonlinear Landau damping over several orders of magnitude using the PIC method, and to calculate the nonlinear evolution of the reflectivity during the mode conversion process from extraordinary waves to Bernstein waves.

  15. Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations

    DEFF Research Database (Denmark)

    Norman, Patrick; Bishop, David M.; Jensen, Hans Jørgen Aa

    2001-01-01

    Computationally tractable expressions for the evaluation of the linear response function in the multiconfigurational self-consistent field approximation were derived and implemented. The finite lifetime of the electronically excited states was considered and the linear response function was shown...... to be convergent in the whole frequency region. This was achieved through the incorporation of phenomenological damping factors that lead to complex response function values....

  16. Particle-in-cell simulations of fast magnetic field penetration into plasmas due to the Hall electric field

    International Nuclear Information System (INIS)

    Swanekamp, S.B.; Grossmann, J.M.; Fruchtman, A.; Oliver, B.V.; Ottinger, P.F.

    1996-01-01

    Particle-in-cell (PIC) simulations are used to study the penetration of magnetic field into plasmas in the electron-magnetohydrodynamic (EMHD) regime. These simulations represent the first definitive verification of EMHD with a PIC code. When ions are immobile, the PIC results reproduce many aspects of fluid treatments of the problem. However, the PIC results show a speed of penetration that is between 10% and 50% slower than predicted by one-dimensional fluid treatments. In addition, the PIC simulations show the formation of vortices in the electron flow behind the EMHD shock front. The size of these vortices is on the order of the collisionless electron skin depth and is closely coupled to the effects of electron inertia. An energy analysis shows that one-half the energy entering the plasma is stored as magnetic field energy while the other half is shared between internal plasma energy (thermal motion and electron vortices) and electron kinetic energy loss from the volume to the boundaries. The amount of internal plasma energy saturates after an initial transient phase so that late in time the rate that magnetic energy increases in the plasma is the same as the rate at which kinetic energy flows out through the boundaries. When ions are mobile it is observed that axial magnetic field penetration is followed by localized thinning in the ion density. The density thinning is produced by the large electrostatic fields that exist inside the electron vortices which act to reduce the space-charge imbalance necessary to support the vortices. This mechanism may play a role during the opening process of a plasma opening switch. copyright 1996 American Institute of Physics

  17. A self-consistent, absolute isochronal age scale for young moving groups in the solar neighbourhood

    Science.gov (United States)

    Bell, Cameron P. M.; Mamajek, Eric E.; Naylor, Tim

    2015-11-01

    We present a self-consistent, absolute isochronal age scale for young ( ≲ 200 Myr), nearby ( ≲ 100 pc) moving groups in the solar neighbourhood based on homogeneous fitting of semi-empirical pre-main-sequence model isochrones using the τ2 maximum-likelihood fitting statistic of Naylor & Jeffries in the MV, V - J colour-magnitude diagram. The final adopted ages for the groups are as follows: 149^{+51}_{-19} {Myr} for the AB Dor moving group, 24 ± 3 Myr for the β Pic moving group (BPMG), 45^{+11}_{-7} {Myr} for the Carina association, 42^{+6}_{-4} {Myr} for the Columba association, 11 ± 3 Myr for the η Cha cluster, 45 ± 4 Myr for the Tucana-Horologium moving group (Tuc-Hor), 10 ± 3 Myr for the TW Hya association and 22^{+4}_{-3} {Myr} for the 32 Ori group. At this stage we are uncomfortable assigning a final, unambiguous age to the Argus association as our membership list for the association appears to suffer from a high level of contamination, and therefore it remains unclear whether these stars represent a single population of coeval stars. Our isochronal ages for both the BPMG and Tuc-Hor are consistent with recent lithium depletion boundary (LDB) ages, which unlike isochronal ages, are relatively insensitive to the choice of low-mass evolutionary models. This consistency between the isochronal and LDB ages instils confidence that our self-consistent, absolute age scale for young, nearby moving groups is robust, and hence we suggest that these ages be adopted for future studies of these groups. Software implementing the methods described in this study is available from http://www.astro.ex.ac.uk/people/timn/tau-squared/.

  18. 2D arc-PIC code description: methods and documentation

    CERN Document Server

    Timko, Helga

    2011-01-01

    Vacuum discharges are one of the main limiting factors for future linear collider designs such as that of the Compact LInear Collider. To optimize machine efficiency, maintaining the highest feasible accelerating gradient below a certain breakdown rate is desirable; understanding breakdowns can therefore help us to achieve this goal. As a part of ongoing theoretical research on vacuum discharges at the Helsinki Institute of Physics, the build-up of plasma can be investigated through the particle-in-cell method. For this purpose, we have developed the 2D Arc-PIC code introduced here. We present an exhaustive description of the 2D Arc-PIC code in two parts. In the first part, we introduce the particle-in-cell method in general and detail the techniques used in the code. In the second part, we provide a documentation and derivation of the key equations occurring in the code. The code is original work of the author, written in 2010, and is therefore under the copyright of the author. The development of the code h...

  19. The numerical multiconfiguration self-consistent field approach for atoms

    International Nuclear Information System (INIS)

    Stiehler, Johannes

    1995-12-01

    The dissertation uses the Multiconfiguration Self-Consistent Field Approach to specify the electronic wave function of N electron atoms in a static electrical field. It presents numerical approaches to describe the wave functions and introduces new methods to compute the numerical Fock equations. Based on results computed with an implemented computer program the universal application, flexibility and high numerical precision of the presented approach is shown. RHF results and for the first time MCSCF results for polarizabilities and hyperpolarizabilities of various states of the atoms He to Kr are discussed. In addition, an application to interpret a plasma spectrum of gallium is presented. (orig.)

  20. Self-consistent potential variations in magnetic wells

    International Nuclear Information System (INIS)

    Kesner, J.; Knorr, G.; Nicholson, D.R.

    1981-01-01

    Self-consistent electrostatic potential variations are considered in a spatial region of weak magnetic field, as in the proposed tandem mirror thermal barriers (with no trapped ions). For some conditions, equivalent to ion distributions with a sufficiently high net drift speed along the magnetic field, the desired potential depressions are found. When the net drift speed is not high enough, potential depressions are found only in combination with strong electric fields on the boundaries of the system. These potential depressions are not directly related to the magnetic field depression. (author)

  1. Applicability of self-consistent mean-field theory

    International Nuclear Information System (INIS)

    Guo Lu; Sakata, Fumihiko; Zhao Enguang

    2005-01-01

    Within the constrained Hartree-Fock (CHF) theory, an analytic condition is derived to estimate whether a concept of the self-consistent mean field is realized in the level repulsive region. The derived condition states that an iterative calculation of the CHF equation does not converge when the quantum fluctuations coming from two-body residual interaction and quadrupole deformation become larger than a single-particle energy difference between two avoided crossing orbits. By means of numerical calculation, it is shown that the analytic condition works well for a realistic case

  2. The self-consistent dynamic pole tide in global oceans

    Science.gov (United States)

    Dickman, S. R.

    1985-01-01

    The dynamic pole tide is characterized in a self-consistent manner by means of introducing a single nondifferential matrix equation compatible with the Liouville equation, modelling the ocean as global and of uniform depth. The deviations of the theory from the realistic ocean, associated with the nonglobality of the latter, are also given consideration, with an inference that in realistic oceans long-period modes of resonances would be increasingly likely to exist. The analysis of the nature of the pole tide and its effects on the Chandler wobble indicate that departures of the pole tide from the equilibrium may indeed be minimal.

  3. Two-particle self-consistent approach to unconventional superconductivity

    Energy Technology Data Exchange (ETDEWEB)

    Otsuki, Junya [Department of Physics, Tohoku University, Sendai (Japan); Theoretische Physik III, Zentrum fuer Elektronische Korrelationen und Magnetismus, Universitaet Augsburg (Germany)

    2013-07-01

    A non-perturbative approach to unconventional superconductivity is developed based on the idea of the two-particle self-consistent (TPSC) theory. An exact sum-rule which the momentum-dependent pairing susceptibility satisfies is derived. Effective pairing interactions between quasiparticles are determined so that an approximate susceptibility should fulfill this sum-rule, in which fluctuations belonging to different symmetries mix at finite momentum. The mixing leads to a suppression of the d{sub x{sup 2}-y{sup 2}} pairing close to the half-filling, resulting in a maximum of T{sub c} away from half-filling.

  4. Correlations and self-consistency in pion scattering. II

    International Nuclear Information System (INIS)

    Johnson, M.B.; Keister, B.D.

    1978-01-01

    In an attempt to overcome certain difficulties of summing higher order processes in pion multiple scattering theories, a new, systematic expansion for the interaction of a pion in nuclear matter is derived within the context of the Foldy-Walecka theory, incorporating nucleon-nucleon correlations and an idea of self-consistency. The first two orders in the expansion are evaluated as a function of the nonlocality range; the expansion appears to be rapidly converging, in contrast to expansion schemes previously examined. (Auth.)

  5. A self-consistent model of an isothermal tokamak

    Science.gov (United States)

    McNamara, Steven; Lilley, Matthew

    2014-10-01

    Continued progress in liquid lithium coating technologies have made the development of a beam driven tokamak with minimal edge recycling a feasibly possibility. Such devices are characterised by improved confinement due to their inherent stability and the suppression of thermal conduction. Particle and energy confinement become intrinsically linked and the plasma thermal energy content is governed by the injected beam. A self-consistent model of a purely beam fuelled isothermal tokamak is presented, including calculations of the density profile, bulk species temperature ratios and the fusion output. Stability considerations constrain the operating parameters and regions of stable operation are identified and their suitability to potential reactor applications discussed.

  6. Self-consistent calculation of 208Pb spectrum

    International Nuclear Information System (INIS)

    Pal'chik, V.V.; Pyatov, N.I.; Fayans, S.A.

    1981-01-01

    The self-consistent model with exact accounting for one-particle continuum is applied to calculate all discrete particle-hole natural parity states with 2 208 Pb nucleus (up to the neutron emission threshold, 7.4 MeV). Contributions to the energy-weighted sum rules S(EL) of the first collective levels and total contributions of all discrete levels are evaluated. Most strongly the collectivization is manifested for octupole states. With multipolarity growth L contributions of discrete levels are sharply reduced. The results are compared with other models and the experimental data obtained in (e, e'), (p, p') reactions and other data [ru

  7. 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

  8. Mean-field theory and self-consistent dynamo modeling

    International Nuclear Information System (INIS)

    Yoshizawa, Akira; Yokoi, Nobumitsu

    2001-12-01

    Mean-field theory of dynamo is discussed with emphasis on the statistical formulation of turbulence effects on the magnetohydrodynamic equations and the construction of a self-consistent dynamo model. The dynamo mechanism is sought in the combination of the turbulent residual-helicity and cross-helicity effects. On the basis of this mechanism, discussions are made on the generation of planetary magnetic fields such as geomagnetic field and sunspots and on the occurrence of flow by magnetic fields in planetary and fusion phenomena. (author)

  9. Wavelets in self-consistent electronic structure calculations

    International Nuclear Information System (INIS)

    Wei, S.; Chou, M.Y.

    1996-01-01

    We report the first implementation of orthonormal wavelet bases in self-consistent electronic structure calculations within the local-density approximation. These local bases of different scales efficiently describe localized orbitals of interest. As an example, we studied two molecules, H 2 and O 2 , using pseudopotentials and supercells. Considerably fewer bases are needed compared with conventional plane-wave approaches, yet calculated binding properties are similar. Our implementation employs fast wavelet and Fourier transforms, avoiding evaluating any three-dimensional integral numerically. copyright 1996 The American Physical Society

  10. Self-consistent electronic-structure calculations for interface geometries

    International Nuclear Information System (INIS)

    Sowa, E.C.; Gonis, A.; MacLaren, J.M.; Zhang, X.G.

    1992-01-01

    This paper describes a technique for computing self-consistent electronic structures and total energies of planar defects, such as interfaces, which are embedded in an otherwise perfect crystal. As in the Layer Korringa-Kohn-Rostoker approach, the solid is treated as a set of coupled layers of atoms, using Bloch's theorem to take advantage of the two-dimensional periodicity of the individual layers. The layers are coupled using the techniques of the Real-Space Multiple-Scattering Theory, avoiding artificial slab or supercell boundary conditions. A total-energy calculation on a Cu crystal, which has been split apart at a (111) plane, is used to illustrate the method

  11. A self-consistent theory of the magnetic polaron

    International Nuclear Information System (INIS)

    Marvakov, D.I.; Kuzemsky, A.L.; Vlahov, J.P.

    1984-10-01

    A finite temperature self-consistent theory of magnetic polaron in the s-f model of ferromagnetic semiconductors is developed. The calculations are based on the novel approach of the thermodynamic two-time Green function methods. This approach consists in the introduction of the ''irreducible'' Green functions (IGF) and derivation of the exact Dyson equation and exact self-energy operator. It is shown that IGF method gives a unified and natural approach for a calculation of the magnetic polaron states by taking explicitly into account the damping effects and finite lifetime. (author)

  12. Tunneling in a self-consistent dynamic image potential

    International Nuclear Information System (INIS)

    Rudberg, B.G.R.; Jonson, M.

    1991-01-01

    We have calculated the self-consistent effective potential for an electron tunneling through a square barrier while interacting with surface plasmons. This potential reduces to the classical image potential in the static limit. In the opposite limit, when the ''velocity'' of the tunneling electron is large, it reduces to the unperturbed square-barrier potential. For a wide variety of parameters the dynamic effects on the transmission coefficient T=|t 2 | can, for instance, be related to the Buettiker-Landauer traversal time for tunneling, given by τ BL =ℎ|d lnt/dV|

  13. On the hydrodynamic limit of self-consistent field equations

    International Nuclear Information System (INIS)

    Pauli, H.C.

    1980-01-01

    As an approximation to the nuclear many-body problem, the hydrodynamical limit of self-consistent field equations is worked out and applied to the treatment of vibrational and rotational motion. Its validity is coupled to the value of a smallness parameter, behaving as 20Asup(-2/3) with the number of nucleons. For finite nuclei, this number is not small enough as compared to 1, and indeed one observes a discrepancy of roughly a factor of 5 between the hydrodynamic frequencies and the relevant experimental numbers. (orig.)

  14. Multiconfigurational self-consistent reaction field theory for nonequilibrium solvation

    DEFF Research Database (Denmark)

    Mikkelsen, Kurt V.; Cesar, Amary; Ågren, Hans

    1995-01-01

    electronic structure whereas the inertial polarization vector is not necessarily in equilibrium with the actual electronic structure. The electronic structure of the compound is described by a correlated electronic wave function - a multiconfigurational self-consistent field (MCSCF) wave function. This wave......, open-shell, excited, and transition states. We demonstrate the theory by computing solvatochromatic shifts in optical/UV spectra of some small molecules and electron ionization and electron detachment energies of the benzene molecule. It is shown that the dependency of the solvent induced affinity...

  15. Self-consistent viscous heating of rapidly compressed turbulence

    Science.gov (United States)

    Campos, Alejandro; Morgan, Brandon

    2017-11-01

    Given turbulence subjected to infinitely rapid deformations, linear terms representing interactions between the mean flow and the turbulence dictate the evolution of the flow, whereas non-linear terms corresponding to turbulence-turbulence interactions are safely ignored. For rapidly deformed flows where the turbulence Reynolds number is not sufficiently large, viscous effects can't be neglected and tend to play a prominent role, as shown in the study of Davidovits & Fisch (2016). For such a case, the rapid increase of viscosity in a plasma-as compared to the weaker scaling of viscosity in a fluid-leads to the sudden viscous dissipation of turbulent kinetic energy. As shown in Davidovits & Fisch, increases in temperature caused by the direct compression of the plasma drive sufficiently large values of viscosity. We report on numerical simulations of turbulence where the increase in temperature is the result of both the direct compression (an inviscid mechanism) and the self-consistent viscous transfer of energy from the turbulent scales towards the thermal energy. A comparison between implicit large-eddy simulations against well-resolved direct numerical simulations is included to asses the effect of the numerical and subgrid-scale dissipation on the self-consistent viscous This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  16. Self-consistent modeling of electron cyclotron resonance ion sources

    International Nuclear Information System (INIS)

    Girard, A.; Hitz, D.; Melin, G.; Serebrennikov, K.; Lecot, C.

    2004-01-01

    In order to predict the performances of electron cyclotron resonance ion source (ECRIS), it is necessary to perfectly model the different parts of these sources: (i) magnetic configuration; (ii) plasma characteristics; (iii) extraction system. The magnetic configuration is easily calculated via commercial codes; different codes also simulate the ion extraction, either in two dimension, or even in three dimension (to take into account the shape of the plasma at the extraction influenced by the hexapole). However the characteristics of the plasma are not always mastered. This article describes the self-consistent modeling of ECRIS: we have developed a code which takes into account the most important construction parameters: the size of the plasma (length, diameter), the mirror ratio and axial magnetic profile, whether a biased probe is installed or not. These input parameters are used to feed a self-consistent code, which calculates the characteristics of the plasma: electron density and energy, charge state distribution, plasma potential. The code is briefly described, and some of its most interesting results are presented. Comparisons are made between the calculations and the results obtained experimentally

  17. Self-consistent modeling of electron cyclotron resonance ion sources

    Science.gov (United States)

    Girard, A.; Hitz, D.; Melin, G.; Serebrennikov, K.; Lécot, C.

    2004-05-01

    In order to predict the performances of electron cyclotron resonance ion source (ECRIS), it is necessary to perfectly model the different parts of these sources: (i) magnetic configuration; (ii) plasma characteristics; (iii) extraction system. The magnetic configuration is easily calculated via commercial codes; different codes also simulate the ion extraction, either in two dimension, or even in three dimension (to take into account the shape of the plasma at the extraction influenced by the hexapole). However the characteristics of the plasma are not always mastered. This article describes the self-consistent modeling of ECRIS: we have developed a code which takes into account the most important construction parameters: the size of the plasma (length, diameter), the mirror ratio and axial magnetic profile, whether a biased probe is installed or not. These input parameters are used to feed a self-consistent code, which calculates the characteristics of the plasma: electron density and energy, charge state distribution, plasma potential. The code is briefly described, and some of its most interesting results are presented. Comparisons are made between the calculations and the results obtained experimentally.

  18. Self-consistent chaos in the beam-plasma instability

    International Nuclear Information System (INIS)

    Tennyson, J.L.; Meiss, J.D.

    1993-01-01

    The effect of self-consistency on Hamiltonian systems with a large number of degrees-of-freedom is investigated for the beam-plasma instability using the single-wave model of O'Neil, Winfrey, and Malmberg.The single-wave model is reviewed and then rederived within the Hamiltonian context, which leads naturally to canonical action- angle variables. Simulations are performed with a large (10 4 ) number of beam particles interacting with the single wave. It is observed that the system relaxes into a time asymptotic periodic state where only a few collective degrees are active; namely, a clump of trapped particles oscillating in a modulated wave, within a uniform chaotic sea with oscillating phase space boundaries. Thus self-consistency is seen to effectively reduce the number of degrees- of-freedom. A simple low degree-of-freedom model is derived that treats the clump as a single macroparticle, interacting with the wave and chaotic sea. The uniform chaotic sea is modeled by a fluid waterbag, where the waterbag boundaries correspond approximately to invariant tori. This low degree-of-freedom model is seen to compare well with the simulation

  19. Efficient self-consistency for magnetic tight binding

    Science.gov (United States)

    Soin, Preetma; Horsfield, A. P.; Nguyen-Manh, D.

    2011-06-01

    Tight binding can be extended to magnetic systems by including an exchange interaction on an atomic site that favours net spin polarisation. We have used a published model, extended to include long-ranged Coulomb interactions, to study defects in iron. We have found that achieving self-consistency using conventional techniques was either unstable or very slow. By formulating the problem of achieving charge and spin self-consistency as a search for stationary points of a Harris-Foulkes functional, extended to include spin, we have derived a much more efficient scheme based on a Newton-Raphson procedure. We demonstrate the capabilities of our method by looking at vacancies and self-interstitials in iron. Self-consistency can indeed be achieved in a more efficient and stable manner, but care needs to be taken to manage this. The algorithm is implemented in the code PLATO. Program summaryProgram title:PLATO Catalogue identifier: AEFC_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFC_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 228 747 No. of bytes in distributed program, including test data, etc.: 1 880 369 Distribution format: tar.gz Programming language: C and PERL Computer: Apple Macintosh, PC, Unix machines Operating system: Unix, Linux, Mac OS X, Windows XP Has the code been vectorised or parallelised?: Yes. Up to 256 processors tested RAM: Up to 2 Gbytes per processor Classification: 7.3 External routines: LAPACK, BLAS and optionally ScaLAPACK, BLACS, PBLAS, FFTW Catalogue identifier of previous version: AEFC_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 2616 Does the new version supersede the previous version?: Yes Nature of problem: Achieving charge and spin self-consistency in magnetic tight binding can be very

  20. Self-Consistent simulations of High-Intensity Beams and E-Clouds with WARP POSINST

    International Nuclear Information System (INIS)

    Vay, J.-L.; Friendman, A.; Grote, D.P.

    2006-01-01

    We have developed a new, comprehensive set of simulation tools aimed at modeling the interaction of intense ion beams and electron clouds (e-clouds). The set contains the 3-D accelerator PIC codeWARP and the 2-D ''slice'' ecloud code POSINST, as well as a merger of the two, augmented by new modules for impact ionization and neutral gas generation. The new capability runs on workstations or parallel supercomputers and contains advanced features such as mesh refinement, disparate adaptive time stepping, and a new ''drift-Lorentz'' particle mover for tracking charged particles in magnetic fields using large time steps. It is being applied to the modeling of ion beams (1 MeV, 180 mA, K+) for heavy ion inertial fusion and warm dense matter studies, as they interact with electron clouds in the High-Current Experiment (HCX). In earlier papers, we described the capabilities and presented recent simulation results with detailed comparisons against the HCX experiment, as well as their application (in a different regime) to the modeling of e-clouds in the Large Hadron Collider (LHC). We concentrate here on the description of the implementation of the ''quasi-static'' mode of operation, for comparison with other codes, and introduce a new consideration on the estimate of computing time between the quasi-static and the fully self-consistent modes

  1. Simulations of tokamak disruptions including self-consistent temperature evolution

    International Nuclear Information System (INIS)

    Bondeson, A.

    1986-01-01

    Three-dimensional simulations of tokamaks have been carried out, including self-consistent temperature evolution with a highly anisotropic thermal conductivity. The simulations extend over the transport time-scale and address the question of how disruptive current profiles arise at low-q or high-density operation. Sharply defined disruptive events are triggered by the m/n=2/1 resistive tearing mode, which is mainly affected by local current gradients near the q=2 surface. If the global current gradient between q=2 and q=1 is sufficiently steep, the m=2 mode starts a shock which accelerates towards the q=1 surface, leaving stochastic fields, a flattened temperature profile and turbulent plasma behind it. For slightly weaker global current gradients, a shock may form, but it will dissipate before reaching q=1 and may lead to repetitive minidisruptions which flatten the temperature profile in a region inside the q=2 surface. (author)

  2. A self-consistent spin-diffusion model for micromagnetics

    KAUST Repository

    Abert, Claas; Ruggeri, Michele; Bruckner, Florian; Vogler, Christoph; Manchon, Aurelien; Praetorius, Dirk; Suess, Dieter

    2016-01-01

    We propose a three-dimensional micromagnetic model that dynamically solves the Landau-Lifshitz-Gilbert equation coupled to the full spin-diffusion equation. In contrast to previous methods, we solve for the magnetization dynamics and the electric potential in a self-consistent fashion. This treatment allows for an accurate description of magnetization dependent resistance changes. Moreover, the presented algorithm describes both spin accumulation due to smooth magnetization transitions and due to material interfaces as in multilayer structures. The model and its finite-element implementation are validated by current driven motion of a magnetic vortex structure. In a second experiment, the resistivity of a magnetic multilayer structure in dependence of the tilting angle of the magnetization in the different layers is investigated. Both examples show good agreement with reference simulations and experiments respectively.

  3. Self-consistent determination of quasiparticle properties in nuclear matter

    International Nuclear Information System (INIS)

    Oset, E.; Palanques-Mestre, A.

    1981-01-01

    The self-energy of nuclear matter is calculated by directing the attention to the energy and momentum dependent pieces which determine the quasiparticle properties. A microscopic approach is followed which starts from the boson exchange picture for the NN interaction, then the π-and p-mesons are shown to play a major role in the nucleon renormalization. The calculation is done self-consistently and the effective mass and pole strength determined as a function of the nuclear density and momentum. Particular emphasis is put on the non-static character of the interaction and its consequences. Finally a comparison is made with other calculations and with experimental results. The consequences of the nucleon renormalization in pion condensation are also examined with the result that the critical density is pushed up appreciably. (orig.)

  4. Self-Consistent Dynamical Model of the Broad Line Region

    Energy Technology Data Exchange (ETDEWEB)

    Czerny, Bozena [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Li, Yan-Rong [Key Laboratory for Particle Astrophysics, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing (China); Sredzinska, Justyna; Hryniewicz, Krzysztof [Copernicus Astronomical Center, Polish Academy of Sciences, Warsaw (Poland); Panda, Swayam [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Copernicus Astronomical Center, Polish Academy of Sciences, Warsaw (Poland); Wildy, Conor [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Karas, Vladimir, E-mail: bcz@cft.edu.pl [Astronomical Institute, Czech Academy of Sciences, Prague (Czech Republic)

    2017-06-22

    We develop a self-consistent description of the Broad Line Region based on the concept of a failed wind powered by radiation pressure acting on a dusty accretion disk atmosphere in Keplerian motion. The material raised high above the disk is illuminated, dust evaporates, and the matter falls back toward the disk. This material is the source of emission lines. The model predicts the inner and outer radius of the region, the cloud dynamics under the dust radiation pressure and, subsequently, the gravitational field of the central black hole, which results in asymmetry between the rise and fall. Knowledge of the dynamics allows us to predict the shapes of the emission lines as functions of the basic parameters of an active nucleus: black hole mass, accretion rate, black hole spin (or accretion efficiency) and the viewing angle with respect to the symmetry axis. Here we show preliminary results based on analytical approximations to the cloud motion.

  5. Self-consistent modeling of amorphous silicon devices

    International Nuclear Information System (INIS)

    Hack, M.

    1987-01-01

    The authors developed a computer model to describe the steady-state behaviour of a range of amorphous silicon devices. It is based on the complete set of transport equations and takes into account the important role played by the continuous distribution of localized states in the mobility gap of amorphous silicon. Using one set of parameters they have been able to self-consistently simulate the current-voltage characteristics of p-i-n (or n-i-p) solar cells under illumination, the dark behaviour of field-effect transistors, p-i-n diodes and n-i-n diodes in both the ohmic and space charge limited regimes. This model also describes the steady-state photoconductivity of amorphous silicon, in particular, its dependence on temperature, doping and illumination intensity

  6. Self-consistent expansion for the molecular beam epitaxy equation.

    Science.gov (United States)

    Katzav, Eytan

    2002-03-01

    Motivated by a controversy over the correct results derived from the dynamic renormalization group (DRG) analysis of the nonlinear molecular beam epitaxy (MBE) equation, a self-consistent expansion for the nonlinear MBE theory is considered. The scaling exponents are obtained for spatially correlated noise of the general form D(r-r('),t-t('))=2D(0)[r-->-r(')](2rho-d)delta(t-t(')). I find a lower critical dimension d(c)(rho)=4+2rho, above which the linear MBE solution appears. Below the lower critical dimension a rho-dependent strong-coupling solution is found. These results help to resolve the controversy over the correct exponents that describe nonlinear MBE, using a reliable method that proved itself in the past by giving reasonable results for the strong-coupling regime of the Kardar-Parisi-Zhang system (for d>1), where DRG failed to do so.

  7. Self-consistent Langmuir waves in resonantly driven thermal plasmas

    Science.gov (United States)

    Lindberg, R. R.; Charman, A. E.; Wurtele, J. S.

    2007-12-01

    The longitudinal dynamics of a resonantly driven Langmuir wave are analyzed in the limit that the growth of the electrostatic wave is slow compared to the bounce frequency. Using simple physical arguments, the nonlinear distribution function is shown to be nearly invariant in the canonical particle action, provided both a spatially uniform term and higher-order spatial harmonics are included along with the fundamental in the longitudinal electric field. Requirements of self-consistency with the electrostatic potential yield the basic properties of the nonlinear distribution function, including a frequency shift that agrees closely with driven, electrostatic particle simulations over a range of temperatures. This extends earlier work on nonlinear Langmuir waves by Morales and O'Neil [G. J. Morales and T. M. O'Neil, Phys. Rev. Lett. 28, 417 (1972)] and Dewar [R. L. Dewar, Phys. Plasmas 15, 712 (1972)], and could form the basis of a reduced kinetic treatment of plasma dynamics for accelerator applications or Raman backscatter.

  8. Self-consistent Langmuir waves in resonantly driven thermal plasmas

    International Nuclear Information System (INIS)

    Lindberg, R. R.; Charman, A. E.; Wurtele, J. S.

    2007-01-01

    The longitudinal dynamics of a resonantly driven Langmuir wave are analyzed in the limit that the growth of the electrostatic wave is slow compared to the bounce frequency. Using simple physical arguments, the nonlinear distribution function is shown to be nearly invariant in the canonical particle action, provided both a spatially uniform term and higher-order spatial harmonics are included along with the fundamental in the longitudinal electric field. Requirements of self-consistency with the electrostatic potential yield the basic properties of the nonlinear distribution function, including a frequency shift that agrees closely with driven, electrostatic particle simulations over a range of temperatures. This extends earlier work on nonlinear Langmuir waves by Morales and O'Neil [G. J. Morales and T. M. O'Neil, Phys. Rev. Lett. 28, 417 (1972)] and Dewar [R. L. Dewar, Phys. Plasmas 15, 712 (1972)], and could form the basis of a reduced kinetic treatment of plasma dynamics for accelerator applications or Raman backscatter

  9. Self-consistent, relativistic, ferromagnetic band structure of gadolinium

    International Nuclear Information System (INIS)

    Harmon, B.N.; Schirber, J.; Koelling, D.D.

    1977-01-01

    An initial self-consistent calculation of the ground state magnetic band structure of gadolinium is described. A linearized APW method was used which included all single particle relativistic effects except spin-orbit coupling. The spin polarized potential was obtained in the muffin-tin form using the local spin density approximation for exchange and correlation. The most striking and unorthodox aspect of the results is the position of the 4f spin-down ''bands'' which are required to float just on top of the Fermi level in order to obtain convergence. If the 4f states (l = 3 resonance) are removed from the occupied region of the conduction bands the magnetic moment is approximately .75 μ/sub B//atom; however, as the 4f spin-down states are allowed to find their own position they hybridize with the conduction bands at the Fermi level and the moment becomes smaller. Means of improving the calculation are discussed

  10. Self-consistent mean-field models for nuclear structure

    International Nuclear Information System (INIS)

    Bender, Michael; Heenen, Paul-Henri; Reinhard, Paul-Gerhard

    2003-01-01

    The authors review the present status of self-consistent mean-field (SCMF) models for describing nuclear structure and low-energy dynamics. These models are presented as effective energy-density functionals. The three most widely used variants of SCMF's based on a Skyrme energy functional, a Gogny force, and a relativistic mean-field Lagrangian are considered side by side. The crucial role of the treatment of pairing correlations is pointed out in each case. The authors discuss other related nuclear structure models and present several extensions beyond the mean-field model which are currently used. Phenomenological adjustment of the model parameters is discussed in detail. The performance quality of the SCMF model is demonstrated for a broad range of typical applications

  11. Self-consistent simulation of the CSR effect

    International Nuclear Information System (INIS)

    Li, R.; Bohn, C.L.; Bisogano, J.J.

    1998-01-01

    When a microbunch with high charge traverses a curved trajectory, the curvature-induced bunch self-interaction, by way of coherent synchrotron radiation (CSR) and space-charge forces, may cause serious emittance degradation. In this paper, the authors present a self-consistent simulation for the study of the impact of CSR on beam optics. The dynamics of the bunch under the influence of the CSR forces is simulated using macroparticles, where the CSR force in turn depends on the history of bunch dynamics in accordance with causality. The simulation is benchmarked with analytical results obtained for a rigid-line bunch. Here they present the algorithm used in the simulation, along with the simulation results obtained for bending systems in the Jefferson Lab (JLab) free-electron-laser (FEL) lattice

  12. A self-consistent spin-diffusion model for micromagnetics

    KAUST Repository

    Abert, Claas

    2016-12-17

    We propose a three-dimensional micromagnetic model that dynamically solves the Landau-Lifshitz-Gilbert equation coupled to the full spin-diffusion equation. In contrast to previous methods, we solve for the magnetization dynamics and the electric potential in a self-consistent fashion. This treatment allows for an accurate description of magnetization dependent resistance changes. Moreover, the presented algorithm describes both spin accumulation due to smooth magnetization transitions and due to material interfaces as in multilayer structures. The model and its finite-element implementation are validated by current driven motion of a magnetic vortex structure. In a second experiment, the resistivity of a magnetic multilayer structure in dependence of the tilting angle of the magnetization in the different layers is investigated. Both examples show good agreement with reference simulations and experiments respectively.

  13. Self-Consistent Dynamical Model of the Broad Line Region

    Directory of Open Access Journals (Sweden)

    Bozena Czerny

    2017-06-01

    Full Text Available We develop a self-consistent description of the Broad Line Region based on the concept of a failed wind powered by radiation pressure acting on a dusty accretion disk atmosphere in Keplerian motion. The material raised high above the disk is illuminated, dust evaporates, and the matter falls back toward the disk. This material is the source of emission lines. The model predicts the inner and outer radius of the region, the cloud dynamics under the dust radiation pressure and, subsequently, the gravitational field of the central black hole, which results in asymmetry between the rise and fall. Knowledge of the dynamics allows us to predict the shapes of the emission lines as functions of the basic parameters of an active nucleus: black hole mass, accretion rate, black hole spin (or accretion efficiency and the viewing angle with respect to the symmetry axis. Here we show preliminary results based on analytical approximations to the cloud motion.

  14. A self-consistent nuclear energy supply system

    International Nuclear Information System (INIS)

    Fujii-e, Y.; Morita, T.; Kawakami, H.; Arie, K.; Suzuki, M.; Iida, M.; Yamazaki, H.

    1992-01-01

    A self-consistent nuclear energy supply system (SCNESS) is investigated for a Fast Reactor. SCNESS is proposed as a future stable energy supplier with no harmful influence on humans or environment for the ultimate goal of nuclear energy development. SCNESS should be inherently safe, be able to breed fissionable material, and transmute long-lived radioactive nuclides (i.e., minor actinides and long-lived fission products). The relationship between these characteristics and the spatial assignment of excess neutrons (v-1) for each characteristic are analyzed. The analysis shows that excess neutrons play an intrinsic role in realizing SCNESS. The reactor concept of SCNESS is investigated by considering utilization of excess neutrons. Results show that a small-size axially double-layered annular core with metal fuel is a choice candidate for SCNESS. SCNESS is concluded feasible. (author). 4 refs., 9 figs

  15. Fully self-consistent GW calculations for molecules

    DEFF Research Database (Denmark)

    Rostgaard, Carsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2010-01-01

    We calculate single-particle excitation energies for a series of 34 molecules using fully self-consistent GW, one-shot G0W0, Hartree-Fock (HF), and hybrid density-functional theory (DFT). All calculations are performed within the projector-augmented wave method using a basis set of Wannier...... functions augmented by numerical atomic orbitals. The GW self-energy is calculated on the real frequency axis including its full frequency dependence and off-diagonal matrix elements. The mean absolute error of the ionization potential (IP) with respect to experiment is found to be 4.4, 2.6, 0.8, 0.4, and 0...

  16. Self-consistent equilibria in cylindrical reversed-field pinch

    International Nuclear Information System (INIS)

    Lo Surdo, C.; Paccagnella, R.; Guo, S.

    1995-03-01

    The object of this work is to study the self-consistent magnetofluidstatic equilibria of a 2-region (plasma + gas) reversed-field pinch (RFP) in cylindrical approximation (namely, with vanishing inverse aspect ratio). Differently from what happens in a tokamak, in a RFP a significant part of the plasma current is driven by a dynamo electric field (DEF), in its turn mainly due to plasma turbulence. So, it is worked out a reasonable mathematical model of the above self-consistent equilibria under the following main points it has been: a) to the lowest order, and according to a standard ansatz, the turbulent DEF say ε t , is expressed as a homogeneous transform of the magnetic field B of degree 1, ε t =(α) (B), with α≡a given 2-nd rank tensor, homogeneous of degree 0 in B and generally depending on the plasma state; b) ε t does not explicitly appear in the plasma energy balance, as it were produced by a Maxwell demon able of extract the corresponding Joule power from the plasma. In particular, it is showed that, if both α and the resistivity tensor η are isotropic and constant, the magnetic field is force-free with abnormality equal to αη 0 /η, in the limit of vanishing β; that is, the well-known J.B. Taylor'result is recovered, in this particular conditions, starting from ideas quite different from the usual ones (minimization of total magnetic energy under constrained total elicity). Finally, the general problem is solved numerically under circular (besides cylindrical) symmetry, for simplicity neglecting the existence of gas region (i.e., assuming the plasma in direct contact with the external wall)

  17. Modeling self-consistent multi-class dynamic traffic flow

    Science.gov (United States)

    Cho, Hsun-Jung; Lo, Shih-Ching

    2002-09-01

    In this study, we present a systematic self-consistent multiclass multilane traffic model derived from the vehicular Boltzmann equation and the traffic dispersion model. The multilane domain is considered as a two-dimensional space and the interaction among vehicles in the domain is described by a dispersion model. The reason we consider a multilane domain as a two-dimensional space is that the driving behavior of road users may not be restricted by lanes, especially motorcyclists. The dispersion model, which is a nonlinear Poisson equation, is derived from the car-following theory and the equilibrium assumption. Under the concept that all kinds of users share the finite section, the density is distributed on a road by the dispersion model. In addition, the dynamic evolution of the traffic flow is determined by the systematic gas-kinetic model derived from the Boltzmann equation. Multiplying Boltzmann equation by the zeroth, first- and second-order moment functions, integrating both side of the equation and using chain rules, we can derive continuity, motion and variance equation, respectively. However, the second-order moment function, which is the square of the individual velocity, is employed by previous researches does not have physical meaning in traffic flow. Although the second-order expansion results in the velocity variance equation, additional terms may be generated. The velocity variance equation we propose is derived from multiplying Boltzmann equation by the individual velocity variance. It modifies the previous model and presents a new gas-kinetic traffic flow model. By coupling the gas-kinetic model and the dispersion model, a self-consistent system is presented.

  18. Charge-conserving FEM-PIC schemes on general grids

    International Nuclear Information System (INIS)

    Campos Pinto, M.; Jund, S.; Salmon, S.; Sonnendruecker, E.

    2014-01-01

    Particle-In-Cell (PIC) solvers are a major tool for the understanding of the complex behavior of a plasma or a particle beam in many situations. An important issue for electromagnetic PIC solvers, where the fields are computed using Maxwell's equations, is the problem of discrete charge conservation. In this article, we aim at proposing a general mathematical formulation for charge-conserving finite-element Maxwell solvers coupled with particle schemes. In particular, we identify the finite-element continuity equations that must be satisfied by the discrete current sources for several classes of time-domain Vlasov-Maxwell simulations to preserve the Gauss law at each time step, and propose a generic algorithm for computing such consistent sources. Since our results cover a wide range of schemes (namely curl-conforming finite element methods of arbitrary degree, general meshes in two or three dimensions, several classes of time discretization schemes, particles with arbitrary shape factors and piecewise polynomial trajectories of arbitrary degree), we believe that they provide a useful roadmap in the design of high-order charge-conserving FEM-PIC numerical schemes. (authors)

  19. On the elimination of numerical Cerenkov radiation in PIC simulations

    International Nuclear Information System (INIS)

    Greenwood, Andrew D.; Cartwright, Keith L.; Luginsland, John W.; Baca, Ernest A.

    2004-01-01

    Particle-in-cell (PIC) simulations are a useful tool in modeling plasma in physical devices. The Yee finite difference time domain (FDTD) method is commonly used in PIC simulations to model the electromagnetic fields. However, in the Yee FDTD method, poorly resolved waves at frequencies near the cut off frequency of the grid travel slower than the physical speed of light. These slowly traveling, poorly resolved waves are not a problem in many simulations because the physics of interest are at much lower frequencies. However, when high energy particles are present, the particles may travel faster than the numerical speed of their own radiation, leading to non-physical, numerical Cerenkov radiation. Due to non-linear interaction between the particles and the fields, the numerical Cerenkov radiation couples into the frequency band of physical interest and corrupts the PIC simulation. There are two methods of mitigating the effects of the numerical Cerenkov radiation. The computational stencil used to approximate the curl operator can be altered to improve the high frequency physics, or a filtering scheme can be introduced to attenuate the waves that cause the numerical Cerenkov radiation. Altering the computational stencil is more physically accurate but is difficult to implement while maintaining charge conservation in the code. Thus, filtering is more commonly used. Two previously published filters by Godfrey and Friedman are analyzed and compared to ideally desired filter properties

  20. A relativistic self-consistent model for studying enhancement of space charge limited field emission due to counter-streaming ions

    International Nuclear Information System (INIS)

    Lin, M. C.; Lu, P. S.; Chang, P. C.; Ragan-Kelley, B.; Verboncoeur, J. P.

    2014-01-01

    Recently, field emission has attracted increasing attention despite the practical limitation that field emitters operate below the Child-Langmuir space charge limit. By introducing counter-streaming ion flow to neutralize the electron charge density, the space charge limited field emission (SCLFE) current can be dramatically enhanced. In this work, we have developed a relativistic self-consistent model for studying the enhancement of SCLFE by a counter-streaming ion current. The maximum enhancement is found when the ion effect is saturated, as shown analytically. The solutions in non-relativistic, intermediate, and ultra-relativistic regimes are obtained and verified with 1-D particle-in-cell simulations. This self-consistent model is general and can also serve as a benchmark or comparison for verification of simulation codes, as well as extension to higher dimensions

  1. Particle In Cell Codes on Highly Parallel Architectures

    Science.gov (United States)

    Tableman, Adam

    2014-10-01

    We describe strategies and examples of Particle-In-Cell Codes running on Nvidia GPU and Intel Phi architectures. This includes basic implementations in skeletons codes and full-scale development versions (encompassing 1D, 2D, and 3D codes) in Osiris. Both the similarities and differences between Intel's and Nvidia's hardware will be examined. Work supported by grants NSF ACI 1339893, DOE DE SC 000849, DOE DE SC 0008316, DOE DE NA 0001833, and DOE DE FC02 04ER 54780.

  2. A Particle-In-Cell approach to particle flux shaping with a surface mask

    Directory of Open Access Journals (Sweden)

    G. Kawamura

    2017-08-01

    Full Text Available The Particle-In-Cell simulation code PICS has been developed to study plasma in front of a surface with two types of masks, step-type and roof-type. Parameter scans with regard to magnetic field angle, electron density, and mask height were carried out to understand their influence on ion particle flux distribution on a surface. A roof-type mask with a small mask height yields short decay length in the flux distribution which is consistent with that estimated experimentally. A roof-type mask with a large height yields very long decay length and the flux value does not depend on a mask height or an electron density, but rather on a mask length and a biasing voltage of the surface. Mask height also changes the flux distribution apart from the mask because of the shading effect of the mask. Electron density changes the distribution near the mask edge according to the Debye length. Dependence of distribution on parameters are complicated especially for a roof-type mask, and simulation study with various parameters are useful to understand the physical reasons of dependence and also is useful as a tool for experiment studies.

  3. Study on Characteristics of Constricted DC Plasma Using Particle-In-Cell Simulator

    International Nuclear Information System (INIS)

    Jo, Jong Gap; Park, Yeong Shin; Hwang, Yong Seok

    2010-01-01

    In dc glow discharge, when anode size is smaller than cathode, very small and bright plasma ball occurs in front of anode. This plasma is called constricted dc plasma and characterized by a high plasma density in positive glow, so called plasma ball, compared to the conventional dc plasma. For the reason, this plasma is utilized to ion or electron beam sources since the beam currents are enhanced by the dense anode glow. However, correlations between characteristics of the plasma (plasma density, electron temperature and space potential) and discharge conditions (anode size, discharge voltage, discharge current, pressure) have been a little investigated definitely clear in previous study because of the trouble of a diagnosis. The plasma ball which is the most essential part of the constricted plasma is too small to diagnose precisely without disturbing plasma. Therefore, we tried to analyze the constricted plasma through computer simulation with Particle-In-Cell (PIC) code. In this study, simulation result of constricted dc plasma as well as conventional dc glow discharge will be addressed and compared with each others

  4. A parallel 3D particle-in-cell code with dynamic load balancing

    International Nuclear Information System (INIS)

    Wolfheimer, Felix; Gjonaj, Erion; Weiland, Thomas

    2006-01-01

    A parallel 3D electrostatic Particle-In-Cell (PIC) code including an algorithm for modelling Space Charge Limited (SCL) emission [E. Gjonaj, T. Weiland, 3D-modeling of space-charge-limited electron emission. A charge conserving algorithm, Proceedings of the 11th Biennial IEEE Conference on Electromagnetic Field Computation, 2004] is presented. A domain decomposition technique based on orthogonal recursive bisection is used to parallelize the computation on a distributed memory environment of clustered workstations. For problems with a highly nonuniform and time dependent distribution of particles, e.g., bunch dynamics, a dynamic load balancing between the processes is needed to preserve the parallel performance. The algorithm for the detection of a load imbalance and the redistribution of the tasks among the processes is based on a weight function criterion, where the weight of a cell measures the computational load associated with it. The algorithm is studied with two examples. In the first example, multiple electron bunches as occurring in the S-DALINAC [A. Richter, Operational experience at the S-DALINAC, Proceedings of the Fifth European Particle Accelerator Conference, 1996] accelerator are simulated in the absence of space charge fields. In the second example, the SCL emission and electron trajectories in an electron gun are simulated

  5. A parallel 3D particle-in-cell code with dynamic load balancing

    Energy Technology Data Exchange (ETDEWEB)

    Wolfheimer, Felix [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr.8, 64283 Darmstadt (Germany)]. E-mail: wolfheimer@temf.de; Gjonaj, Erion [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr.8, 64283 Darmstadt (Germany); Weiland, Thomas [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr.8, 64283 Darmstadt (Germany)

    2006-03-01

    A parallel 3D electrostatic Particle-In-Cell (PIC) code including an algorithm for modelling Space Charge Limited (SCL) emission [E. Gjonaj, T. Weiland, 3D-modeling of space-charge-limited electron emission. A charge conserving algorithm, Proceedings of the 11th Biennial IEEE Conference on Electromagnetic Field Computation, 2004] is presented. A domain decomposition technique based on orthogonal recursive bisection is used to parallelize the computation on a distributed memory environment of clustered workstations. For problems with a highly nonuniform and time dependent distribution of particles, e.g., bunch dynamics, a dynamic load balancing between the processes is needed to preserve the parallel performance. The algorithm for the detection of a load imbalance and the redistribution of the tasks among the processes is based on a weight function criterion, where the weight of a cell measures the computational load associated with it. The algorithm is studied with two examples. In the first example, multiple electron bunches as occurring in the S-DALINAC [A. Richter, Operational experience at the S-DALINAC, Proceedings of the Fifth European Particle Accelerator Conference, 1996] accelerator are simulated in the absence of space charge fields. In the second example, the SCL emission and electron trajectories in an electron gun are simulated.

  6. First principles molecular dynamics without self-consistent field optimization

    International Nuclear Information System (INIS)

    Souvatzis, Petros; Niklasson, Anders M. N.

    2014-01-01

    We present a first principles molecular dynamics approach that is based on time-reversible extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The optimization-free dynamics keeps the computational cost to a minimum and typically provides molecular trajectories that closely follow the exact Born-Oppenheimer potential energy surface. Only one single diagonalization and Hamiltonian (or Fockian) construction are required in each integration time step. The proposed dynamics is derived for a general free-energy potential surface valid at finite electronic temperatures within hybrid density functional theory. Even in the event of irregular functional behavior that may cause a dynamical instability, the optimization-free limit represents a natural starting guess for force calculations that may require a more elaborate iterative electronic ground state optimization. Our optimization-free dynamics thus represents a flexible theoretical framework for a broad and general class of ab initio molecular dynamics simulations

  7. A new mixed self-consistent field procedure

    Science.gov (United States)

    Alvarez-Ibarra, A.; Köster, A. M.

    2015-10-01

    A new approach for the calculation of three-centre electronic repulsion integrals (ERIs) is developed, implemented and benchmarked in the framework of auxiliary density functional theory (ADFT). The so-called mixed self-consistent field (mixed SCF) divides the computationally costly ERIs in two sets: far-field and near-field. Far-field ERIs are calculated using the newly developed double asymptotic expansion as in the direct SCF scheme. Near-field ERIs are calculated only once prior to the SCF procedure and stored in memory, as in the conventional SCF scheme. Hence the name, mixed SCF. The implementation is particularly powerful when used in parallel architectures, since all RAM available are used for near-field ERI storage. In addition, the efficient distribution algorithm performs minimal intercommunication operations between processors, avoiding a potential bottleneck. One-, two- and three-dimensional systems are used for benchmarking, showing substantial time reduction in the ERI calculation for all of them. A Born-Oppenheimer molecular dynamics calculation for the Na+55 cluster is also shown in order to demonstrate the speed-up for small systems achievable with the mixed SCF. Dedicated to Sourav Pal on the occasion of his 60th birthday.

  8. Self-consistent approach for neutral community models with speciation

    Science.gov (United States)

    Haegeman, Bart; Etienne, Rampal S.

    2010-03-01

    Hubbell’s neutral model provides a rich theoretical framework to study ecological communities. By incorporating both ecological and evolutionary time scales, it allows us to investigate how communities are shaped by speciation processes. The speciation model in the basic neutral model is particularly simple, describing speciation as a point-mutation event in a birth of a single individual. The stationary species abundance distribution of the basic model, which can be solved exactly, fits empirical data of distributions of species’ abundances surprisingly well. More realistic speciation models have been proposed such as the random-fission model in which new species appear by splitting up existing species. However, no analytical solution is available for these models, impeding quantitative comparison with data. Here, we present a self-consistent approximation method for neutral community models with various speciation modes, including random fission. We derive explicit formulas for the stationary species abundance distribution, which agree very well with simulations. We expect that our approximation method will be useful to study other speciation processes in neutral community models as well.

  9. A self-consistent upward leader propagation model

    International Nuclear Information System (INIS)

    Becerra, Marley; Cooray, Vernon

    2006-01-01

    The knowledge of the initiation and propagation of an upward moving connecting leader in the presence of a downward moving lightning stepped leader is a must in the determination of the lateral attraction distance of a lightning flash by any grounded structure. Even though different models that simulate this phenomenon are available in the literature, they do not take into account the latest developments in the physics of leader discharges. The leader model proposed here simulates the advancement of positive upward leaders by appealing to the presently understood physics of that process. The model properly simulates the upward continuous progression of the positive connecting leaders from its inception to the final connection with the downward stepped leader (final jump). Thus, the main physical properties of upward leaders, namely the charge per unit length, the injected current, the channel gradient and the leader velocity are self-consistently obtained. The obtained results are compared with an altitude triggered lightning experiment and there is good agreement between the model predictions and the measured leader current and the experimentally inferred spatial and temporal location of the final jump. It is also found that the usual assumption of constant charge per unit length, based on laboratory experiments, is not valid for lightning upward connecting leaders

  10. Self-Consistent Study of Conjugated Aromatic Molecular Transistors

    International Nuclear Information System (INIS)

    Jing, Wang; Yun-Ye, Liang; Hao, Chen; Peng, Wang; Note, R.; Mizuseki, H.; Kawazoe, Y.

    2010-01-01

    We study the current through conjugated aromatic molecular transistors modulated by a transverse field. The self-consistent calculation is realized with density function theory through the standard quantum chemistry software Gaussian03 and the non-equilibrium Green's function formalism. The calculated I – V curves controlled by the transverse field present the characteristics of different organic molecular transistors, the transverse field effect of which is improved by the substitutions of nitrogen atoms or fluorine atoms. On the other hand, the asymmetry of molecular configurations to the axis connecting two sulfur atoms is in favor of realizing the transverse field modulation. Suitably designed conjugated aromatic molecular transistors possess different I – V characteristics, some of them are similar to those of metal-oxide-semiconductor field-effect transistors (MOSFET). Some of the calculated molecular devices may work as elements in graphene electronics. Our results present the richness and flexibility of molecular transistors, which describe the colorful prospect of next generation devices. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  11. PIC microcomputer guide for beginner

    International Nuclear Information System (INIS)

    Shin, Chulho

    2001-03-01

    This book comprised of four parts. The first part deals with computer one chip, voltage current, resistance, electronic components, logical element, TTL and CMOS, memory and I/O and MDS. The second part is about PIC16C84 which describes its memory structure, registers and PIC16C84 command. The third part deals with LED control program, jet car LED, quiz buzzer program, LED spectrum, digital dice, two digital dices and time bomb. The last part introduces PIC16C71 and temperature controller.

  12. An EDDY/particle-in-cell simulation of erosion of plasma facing walls bombarded by a collisional plasma

    International Nuclear Information System (INIS)

    Inai, Kensuke; Ohya, Kaoru

    2011-01-01

    To investigate the erosion of a plasma-facing wall intersecting an oblique magnetic field, we performed a kinetic particle-in-cell (PIC) simulation of magnetized plasma, in which collision processes between charged and neutral particles were taken into account. Sheath formation and local physical quantities, such as the incident angle and energy distributions of plasma ions at the wall, were examined at a plasma density of 10 18 m -3 , a temperature of 10 eV, and a magnetic field strength of 5 T. The erosion rate of a carbon wall was calculated using the ion-solid interaction code EDDY. At a high neutral density (>10 20 m -3 ), the impact energy of the ions dropped below the threshold for physical sputtering, so that the sputtering yield was drastically decreased and wall erosion was strongly suppressed. Sputter erosion was also suppressed when the angle of the magnetic field with respect to the surface normal was sufficiently large. (author)

  13. The three-dimensional particle-in-cell simulation analysis of cavity of high power subterahertz pulsed gyrotron

    International Nuclear Information System (INIS)

    Ito, Koyu; Jiang, Weihua

    2013-01-01

    High power sub-terahertz pulsed gyrotrons for Collective Thomson Scattering (CTS) diagnostics of fusion plasmas are being developed. The typical target parameters are: output power of 100-200 kW, operation frequency of 300 GHz, and pulsed length > 10 us. In order to support experimental development, numerical simulations were carried out by using Particle-In-Cell (PIC) code MAGIC. The oscillation mode of the electromagnetic radiation was selected as TE_1_5_,_2, for which the beam parameters and cavity dimensions were determined accordingly. The simulation results have showed maximum power of 144 kW at oscillation frequency of 292.80 GHz, with oscillation efficiency of 22.15%. (author)

  14. Particle-in-cell analysis of beam-wave interaction in gyrotron cavity with tapered magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A., E-mail: anil.gyrotron@gmail.com [Gyrotron Lab., Microwave Tube Area, Central Electronics Engineering Research Inst. (CEERI, CSIR), Pilani, Rajasthan (India); Banasthali Univ., Dept. of Physics, Banasthali, Rajasthan (India); Khatun, H.; Kumar, N.; Singh, U.; Sinha, A.K. [Gyrotron Lab., Microwave Tube Area, Central Electronics Engineering Research Inst. (CEERI, CSIR), Pilani, Rajasthan (India); Vyas, V. [Banasthali Univ., Dept. of Physics, Banasthali, Rajasthan (India)

    2010-11-15

    A commercially available electromagnetic simulator -- MAGIC, a particle-in-cell (PIC) code -- has been used to carry out a comparative study of the beam-wave interaction under uniform and tapered magnetic field profiles of a 42 GHz, 200kW gyrotron. The magnetic field profile across the resonant cavity varies by ±6.5% with a peak value of 1.615 T. The MAGIC simulation shows the desire performance of the gyrotron under both magnetic field conditions with an operating mode TE{sub 03} and a pitch factor of 1.26. The analysis of the simulated results show that stability in the power growth was reached more quickly and achieved higher output power in the case of a tapered magnetic field. (author)

  15. Nonlinear and self-consistent treatment of ECRH

    Energy Technology Data Exchange (ETDEWEB)

    Tsironis, C.; Vlahos, L.

    2005-07-01

    A self-consistent formulation for the nonlinear interaction of electromagnetic waves with relativistic magnetized electrons is applied for the description of the ECRH. In general, electron-cyclotron absorption is the result of resonances between the cyclotron harmonics and the Doppler-shifted waver frequency. The resonant interaction results to an intense wave-particle energy exchange and an electron acceleration, and for that reason it is widely applied in fusion experiments for plasma heating and current drive. The linear theory, for the wave absorption, as well as the quasilinear theory for the electron distribution function, are the most frequently-used tools for the study of wave-particle interactions. However, in many cases the validity of these theories is violated, namely cases where nonlinear effects, like, e. g. particle trapping in the wave field, are dominant in the particle phase-space. Our model consists of electrons streaming and gyrating in a tokamak plasma slab, which is finite in the directions perpendicular to the main magnetic field. The particles interact with an electromagnetic electron-cyclotron wave of the ordinary (O-) or the extraordinary (X-) mode. A set of nonlinear and relativistic equations is derived, which take into account the effects of the charged particle motions on the wave. These consist of the equations of motion for the plasma electrons in the slab, as well as the wave equation in terms of the vector potential. The effect of the electron motions on the temporal evolution of the wave is reflected in the current density source term. (Author)

  16. Nonlinear and self-consistent treatment of ECRH

    International Nuclear Information System (INIS)

    Tsironis, C.; Vlahos, L.

    2005-01-01

    A self-consistent formulation for the nonlinear interaction of electromagnetic waves with relativistic magnetized electrons is applied for the description of the ECRH. In general, electron-cyclotron absorption is the result of resonances between the cyclotron harmonics and the Doppler-shifted waver frequency. The resonant interaction results to an intense wave-particle energy exchange and an electron acceleration, and for that reason it is widely applied in fusion experiments for plasma heating and current drive. The linear theory, for the wave absorption, as well as the quasilinear theory for the electron distribution function, are the most frequently-used tools for the study of wave-particle interactions. However, in many cases the validity of these theories is violated, namely cases where nonlinear effects, like, e. g. particle trapping in the wave field, are dominant in the particle phase-space. Our model consists of electrons streaming and gyrating in a tokamak plasma slab, which is finite in the directions perpendicular to the main magnetic field. The particles interact with an electromagnetic electron-cyclotron wave of the ordinary (O-) or the extraordinary (X-) mode. A set of nonlinear and relativistic equations is derived, which take into account the effects of the charged particle motions on the wave. These consist of the equations of motion for the plasma electrons in the slab, as well as the wave equation in terms of the vector potential. The effect of the electron motions on the temporal evolution of the wave is reflected in the current density source term. (Author)

  17. Fast ignition: Dependence of the ignition energy on source and target parameters for particle-in-cell-modelled energy and angular distributions of the fast electrons

    Energy Technology Data Exchange (ETDEWEB)

    Bellei, C.; Divol, L.; Kemp, A. J.; Key, M. H.; Larson, D. J.; Strozzi, D. J.; Marinak, M. M.; Tabak, M.; Patel, P. K. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States)

    2013-05-15

    The energy and angular distributions of the fast electrons predicted by particle-in-cell (PIC) simulations differ from those historically assumed in ignition designs of the fast ignition scheme. Using a particular 3D PIC calculation, we show how the ignition energy varies as a function of source-fuel distance, source size, and density of the pre-compressed fuel. The large divergence of the electron beam implies that the ignition energy scales with density more weakly than the ρ{sup −2} scaling for an idealized beam [S. Atzeni, Phys. Plasmas 6, 3316 (1999)], for any realistic source that is at some distance from the dense deuterium-tritium fuel. Due to the strong dependence of ignition energy with source-fuel distance, the use of magnetic or electric fields seems essential for the purpose of decreasing the ignition energy.

  18. Self-consistent Modeling of Elastic Anisotropy in Shale

    Science.gov (United States)

    Kanitpanyacharoen, W.; Wenk, H.; Matthies, S.; Vasin, R.

    2012-12-01

    Elastic anisotropy in clay-rich sedimentary rocks has increasingly received attention because of significance for prospecting of petroleum deposits, as well as seals in the context of nuclear waste and CO2 sequestration. The orientation of component minerals and pores/fractures is a critical factor that influences elastic anisotropy. In this study, we investigate lattice and shape preferred orientation (LPO and SPO) of three shales from the North Sea in UK, the Qusaiba Formation in Saudi Arabia, and the Officer Basin in Australia (referred to as N1, Qu3, and L1905, respectively) to calculate elastic properties and compare them with experimental results. Synchrotron hard X-ray diffraction and microtomography experiments were performed to quantify LPO, weight proportions, and three-dimensional SPO of constituent minerals and pores. Our preliminary results show that the degree of LPO and total amount of clays are highest in Qu3 (3.3-6.5 m.r.d and 74vol%), moderately high in N1 (2.4-5.6 m.r.d. and 70vol%), and lowest in L1905 (2.3-2.5 m.r.d. and 42vol%). In addition, porosity in Qu3 is as low as 2% while it is up to 6% in L1605 and 8% in N1, respectively. Based on this information and single crystal elastic properties of mineral components, we apply a self-consistent averaging method to calculate macroscopic elastic properties and corresponding seismic velocities for different shales. The elastic model is then compared with measured acoustic velocities on the same samples. The P-wave velocities measured from Qu3 (4.1-5.3 km/s, 26.3%Ani.) are faster than those obtained from L1905 (3.9-4.7 km/s, 18.6%Ani.) and N1 (3.6-4.3 km/s, 17.7%Ani.). By making adjustments for pore structure (aspect ratio) and single crystal elastic properties of clay minerals, a good agreement between our calculation and the ultrasonic measurement is obtained.

  19. External circuit integration with electromagnetic particle in cell modeling of plasma focus devices

    International Nuclear Information System (INIS)

    Seng, Y. S.; Lee, P.; Rawat, R. S.

    2015-01-01

    The pinch performance of a plasma focus (PF) device is sensitive to the physical conditions of the breakdown phase. It is therefore essential to model and study the initial phase in order to optimize device performance. An external circuit is self consistently coupled to the electromagnetic particle in cell code to model the breakdown and initial lift phase of the United Nations University/International Centre for Theoretical Physics (UNU-ICTP) plasma focus device. Gas breakdown during the breakdown phase is simulated successfully, following a drop in the applied voltage across the device and a concurrent substantial rise in the circuit current. As a result, the plasma becomes magnetized, with the growing value of the magnetic field over time leading to the gradual lift off of the well formed current sheath into the axial acceleration phase. This lifting off, with simultaneous outward sheath motion along the anode and vertical cathode, and the strong magnetic fields in the current sheath region, was demonstrated in this work, and hence validates our method of coupling the external circuit to PF devices. Our method produces voltage waveforms that are qualitatively similar to the observed experimental voltage profiles of the UNU-ICTP device. Values of the mean electron energy before and after voltage breakdown turned out to be different, with the values after breakdown being much lower. In both cases, the electron energy density function turned out to be non-Maxwellian

  20. 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

  1. 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

  2. Efficient particle-in-cell simulation of auroral plasma phenomena using a CUDA enabled graphics processing unit

    Science.gov (United States)

    Sewell, Stephen

    This thesis introduces a software framework that effectively utilizes low-cost commercially available Graphic Processing Units (GPUs) to simulate complex scientific plasma phenomena that are modeled using the Particle-In-Cell (PIC) paradigm. The software framework that was developed conforms to the Compute Unified Device Architecture (CUDA), a standard for general purpose graphic processing that was introduced by NVIDIA Corporation. This framework has been verified for correctness and applied to advance the state of understanding of the electromagnetic aspects of the development of the Aurora Borealis and Aurora Australis. For each phase of the PIC methodology, this research has identified one or more methods to exploit the problem's natural parallelism and effectively map it for execution on the graphic processing unit and its host processor. The sources of overhead that can reduce the effectiveness of parallelization for each of these methods have also been identified. One of the novel aspects of this research was the utilization of particle sorting during the grid interpolation phase. The final representation resulted in simulations that executed about 38 times faster than simulations that were run on a single-core general-purpose processing system. The scalability of this framework to larger problem sizes and future generation systems has also been investigated.

  3. Analysis of the beam halo in negative ion sources by using 3D3V PIC code

    Energy Technology Data Exchange (ETDEWEB)

    Miyamoto, K., E-mail: kmiyamot@naruto-u.ac.jp [Naruto University of Education, 748 Nakashima, Takashima, Naruto-cho, Naruto-shi, Tokushima 772-8502 (Japan); Nishioka, S.; Goto, I.; Hatayama, A. [Faculty of Science and Technology, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama 223-8522 (Japan); Hanada, M.; Kojima, A.; Hiratsuka, J. [Japan Atomic Energy Agency, 801-1 Mukouyama, Naka 319-0913 (Japan)

    2016-02-15

    The physical mechanism of the formation of the negative ion beam halo and the heat loads of the multi-stage acceleration grids are investigated with the 3D PIC (particle in cell) simulation. The following physical mechanism of the beam halo formation is verified: The beam core and the halo consist of the negative ions extracted from the center and the periphery of the meniscus, respectively. This difference of negative ion extraction location results in a geometrical aberration. Furthermore, it is shown that the heat loads on the first acceleration grid and the second acceleration grid are quantitatively improved compared with those for the 2D PIC simulation result.

  4. Self-consistent ECCD calculations with bootstrap current

    International Nuclear Information System (INIS)

    Decker, J.; Bers, A.; Ram, A. K; Peysson, Y.

    2003-01-01

    To achieve high performance, steady-state operation in tokamaks, it is increasingly important to find the appropriate means for modifying and sustaining the pressure and magnetic shear profiles in the plasma. In such advanced scenarios, especially in the vicinity of internal transport barrier, RF induced currents have to be calculated self-consistently with the bootstrap current, thus taking into account possible synergistic effects resulting from the momentum space distortion of the electron distribution function f e . Since RF waves can cause the distribution of electrons to become non-Maxwellian, the associated changes in parallel diffusion of momentum between trapped and passing particles can be expected to modify the bootstrap current fraction; conversely, the bootstrap current distribution function can enhance the current driven by RF waves. For this purpose, a new, fast and fully implicit solver has been recently developed to carry out computations including new and detailed evaluations of the interactions between bootstrap current (BC) and Electron Cyclotron current drive (ECCD). Moreover, Ohkawa current drive (OKCD) appears to be an efficient method for driving current when the fraction of trapped particles is large. OKCD in the presence of BC is also investigated. Here, results are illustrated around projected tokamak parameters in high performance scenarios of AlcatorC-MOD. It is shown that by increasing n // , the EC wave penetration into the bulk of the electron distribution is greater, and since the resonance extends up to high p // values, this situation is the usual ECCD based on the Fisch-Boozer mechanism concerning passing particles. However, because of the close vicinity of the trapped boundary at r/a=0.7, this process is counterbalanced by the Ohkawa effect, possibly leading to a negative net current. Therefore, by injecting the EC wave in the opposite toroidal direction (n // RF by OKCD may be 70% larger than that of ECCD, with a choice of EC

  5. A gridding method for object-oriented PIC codes

    International Nuclear Information System (INIS)

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

    1993-01-01

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

  6. Low frequency, electrodynamic simulation of kinetic plasmas with the DArwin Direct Implicit Particle-In-Cell (DADIPIC) method

    International Nuclear Information System (INIS)

    Gibbons, M.R.

    1995-06-01

    This dissertation describes a new algorithm for simulating low frequency, kinetic phenomena in plasmas. DArwin Direct Implicit Particle-in-Cell (DADIPIC), as its name implies, is a combination of the Darwin and direct implicit methods. One of the difficulties in simulating plasmas lies in the enormous disparity between the fundamental scale lengths of a plasma and the scale lengths of the phenomena of interest. The objective is to create models which can ignore the fundamental constraints without eliminating relevant plasma properties. Over the past twenty years several PIC methods have been investigated for overcoming the constraints on explicit electrodynamic PIC. These models eliminate selected high frequency plasma phenomena while retaining kinetic phenomena at low frequency. This dissertation shows that the combination of Darwin and Direct Implicit allows them to operate better than they have been shown to operate in the past. Through the Darwin method the hyperbolic Maxwell's equations are reformulated into a set of elliptic equations. Propagating light waves do not exist in the formulation so the Courant constraint on the time step is eliminated. The Direct Implicit method is applied only to the electrostatic field with the result that electrostatic plasma oscillations do not have to be resolved for stability. With the elimination of these constraints spatial and temporal discretization can be much larger than that possible with explicit, electrodynamic PIC. The code functions in a two dimensional Cartesian region and has been implemented with all components of the particle velocities, the E-field, and the B-field. Internal structures, conductors or dielectrics, may be placed in the simulation region, can be set at desired potentials, and driven with specified currents

  7. [PICS: pharmaceutical inspection cooperation scheme].

    Science.gov (United States)

    Morénas, J

    2009-01-01

    The pharmaceutical inspection cooperation scheme (PICS) is a structure containing 34 participating authorities located worldwide (October 2008). It has been created in 1995 on the basis of the pharmaceutical inspection convention (PIC) settled by the European free trade association (EFTA) in1970. This scheme has different goals as to be an international recognised body in the field of good manufacturing practices (GMP), for training inspectors (by the way of an annual seminar and experts circles related notably to active pharmaceutical ingredients [API], quality risk management, computerized systems, useful for the writing of inspection's aide-memoires). PICS is also leading to high standards for GMP inspectorates (through regular crossed audits) and being a room for exchanges on technical matters between inspectors but also between inspectors and pharmaceutical industry.

  8. Particle-in-cell vs straight-line airflow Gaussian calculations of concentration and deposition of airborne emissions out to 70 km for two sites of differing meteorological and topographical character

    International Nuclear Information System (INIS)

    Lange, R.; Dickerson, M.A.; Peterson, K.R.; Sherman, C.A.; Sullivan, T.J.

    1976-01-01

    Two numerical models for the calculation of air concentration and ground deposition of airborne effluent releases are compared. The Particle-in-Cell (PIC) model and the Straight-Line Airflow Gaussian model were used for the simulation. Two sites were selected for comparison: the Hudson River Valley, New York, and the area around the Savannah River Plant, South Carolina. Input for the models was synthesized from meteorological data gathered in previous studies by various investigators. It was found that the PIC model more closely simulated the three-dimensional effects of the meteorology and topography. Overall, the Gaussian model calculated higher concentrations under stable conditions with better agreement between the two methods during neutral to unstable conditions. In addition, because of its consideration of exposure from the returning plume after flow reversal, the PIC model calculated air concentrations over larger areas than did the Gaussian model

  9. PIC Modeling of Argon Plasma Flow in MNX

    Science.gov (United States)

    Cohen, Samuel; Sefkow, Adam

    2007-11-01

    A linear helicon-heated plasma device - the Magnetic Nozzle Experiment (MNX) at the Princeton Plasma Physics Laboratory - is used for studies of the formation of strong electrostatic double layers near mechanical and magnetic apertures and the acceleration of plasma ions into supersonic directed beams. In order to characterize the role of the aperture and its involvement with ion acceleration, detailed particle-in-cell simulations are employed to study the effects of the surrounding boundary geometry on the plasma dynamics near the aperture region, within which the transition from a collisional to collisionless regime occurs. The presence of a small superthermal electron population is examined, and the model includes a background neutral population which can be ionized by energetic electrons. By self-consistently evaluating the temporal evolution of the plasma in the vicinity of the aperture, the formation mechanism of the double layer is investigated.

  10. Particle-In-Cell Simulations of the Solar Wind Interaction with Lunar Crustal Magnetic Anomalies: Magnetic Cusp Regions

    Science.gov (United States)

    Poppe, A. R.; Halekas, J. S.; Delory, G. T.; Farrell, W. M.

    2012-01-01

    As the solar wind is incident upon the lunar surface, it will occasionally encounter lunar crustal remanent magnetic fields. These magnetic fields are small-scale, highly non-dipolar, have strengths up to hundreds of nanotesla, and typically interact with the solar wind in a kinetic fashion. Simulations, theoretical analyses, and spacecraft observations have shown that crustal fields can reflect solar wind protons via a combination of magnetic and electrostatic reflection; however, analyses of surface properties have suggested that protons may still access the lunar surface in the cusp regions of crustal magnetic fields. In this first report from a planned series of studies, we use a 1 1/2-dimensional, electrostatic particle-in-cell code to model the self-consistent interaction between the solar wind, the cusp regions of lunar crustal remanent magnetic fields, and the lunar surface. We describe the self-consistent electrostatic environment within crustal cusp regions and discuss the implications of this work for the role that crustal fields may play regulating space weathering of the lunar surface via proton bombardment.

  11. Self-consistent field variational cellular method as applied to the band structure calculation of sodium

    International Nuclear Information System (INIS)

    Lino, A.T.; Takahashi, E.K.; Leite, J.R.; Ferraz, A.C.

    1988-01-01

    The band structure of metallic sodium is calculated, using for the first time the self-consistent field variational cellular method. In order to implement the self-consistency in the variational cellular theory, the crystal electronic charge density was calculated within the muffin-tin approximation. The comparison between our results and those derived from other calculations leads to the conclusion that the proposed self-consistent version of the variational cellular method is fast and accurate. (author) [pt

  12. SD card projects using the PIC microcontroller

    CERN Document Server

    Ibrahim, Dogan

    2010-01-01

    PIC Microcontrollers are a favorite in industry and with hobbyists. These microcontrollers are versatile, simple, and low cost making them perfect for many different applications. The 8-bit PIC is widely used in consumer electronic goods, office automation, and personal projects. Author, Dogan Ibrahim, author of several PIC books has now written a book using the PIC18 family of microcontrollers to create projects with SD cards. This book is ideal for those practicing engineers, advanced students, and PIC enthusiasts that want to incorporate SD Cards into their devices. SD cards are che

  13. Particle-in-cell simulations of the lasertron

    International Nuclear Information System (INIS)

    Jones, M.E.; Peter, W.K.

    1985-01-01

    The lasertron is a device (either rf or dc) for producing intense, very short, pulsed electron beams (tens of picoseconds). In the dc lasertron, a laser is pulsed repetitively onto a photoemissive cathode. In general, the current is not space-charge limited and follows the laser intensity. The electron pulse is then accelerated out of the device by a constant voltage. By using the laser the need for a subharmonic buncher is eliminated. In the rf lasertron, the diode becomes an rf cavity. This improves the breakdown characteristics of the device, allowing higher voltages to be applied and hence higher currents to be obtained. The calculations are aimed at producing a 10 nC electron beam with an emittance of less than 40π mm-mrad for use in free-electron laser experiments at Los Alamos. Other applications of the lasertron include efficient microwave or rf generation. A class of electrode shapes has been obtained which in the absence of space charge produces no emittance growth. These shapes have been studied with the particle-in-cell simulation model ISIS, and the electrodes which produce minimum emittance including the effect of space charge have been determined. Unique emittance problems associated with the time dependence of the beam pulse are studied and conditions for reducing these effects are discussed. 5 refs., 5 figs

  14. PIC Detector for Piano Chords

    Directory of Open Access Journals (Sweden)

    Barbancho AnaM

    2010-01-01

    Full Text Available In this paper, a piano chords detector based on parallel interference cancellation (PIC is presented. The proposed system makes use of the novel idea of modeling a segment of music as a third generation mobile communications signal, specifically, as a CDMA (Code Division Multiple Access signal. The proposed model considers each piano note as a CDMA user in which the spreading code is replaced by a representative note pattern. The lack of orthogonality between the note patterns will make necessary to design a specific thresholding matrix to decide whether the PIC outputs correspond to the actual notes composing the chord or not. An additional stage that performs an octave test and a fifth test has been included that improves the error rate in the detection of these intervals that are specially difficult to detect. The proposed system attains very good results in both the detection of the notes that compose a chord and the estimation of the polyphony number.

  15. A self-consistent semiclassical sum rule approach to the average properties of giant resonances

    International Nuclear Information System (INIS)

    Li Guoqiang; Xu Gongou

    1990-01-01

    The average energies of isovector giant resonances and the widths of isoscalar giant resonances are evaluated with the help of a self-consistent semiclassical Sum rule approach. The comparison of the present results with the experimental ones justifies the self-consistent semiclassical sum rule approach to the average properties of giant resonances

  16. Gyrokinetic particle-in-cell global simulations of ion-temperature-gradient and collisionless-trapped-electron-mode turbulence in tokamaks

    International Nuclear Information System (INIS)

    Jolliet, S.

    2009-02-01

    -Maxwell system is solved in the electrostatic and collisionless limit with the Particle-In-Cell (PIC) ORB5 code in global tokamak geometry. This Monte-Carlo approach suffers from statistical noise which unavoidably degrades the quality of the simulation. Consequently, the first part of this work has been devoted to the optimization of the code with a view to reduce the numerical noise. The code has been rewritten in a new coordinate system which takes advantage of the anisotropy of turbulence, which is mostly aligned with the magnetic field lines. The overall result of the optimization is that for a given accuracy, the CPU time has been decreased by a factor two thousand, the total memory has been decreased by a factor ten and the numerical noise has been reduced by a factor two hundred. In addition, the scaling of the code with respect to plasma size is presently optimal, suggesting that ORB5 could compute heat transport for future fusion devices such as ITER. The second part of this thesis presents the validation of the code with numerical convergence tests, linear (including dispersion relations) and nonlinear benchmarks. Furthermore, the code has been applied to important issues in gyrokinetic theory. It is shown for the first time that a 5D global delta-f PIC code can achieve a thermodynamic steady state on the condition that some dissipation is present. This is a fundamental result as the main criticism against delta-f PIC codes is their inability to deal with long time simulations. Next, the role of the parallel nonlinearity is studied and it is demonstrated in this work that this term has no real influence on turbulence, provided the numerical noise is sufficiently low. This result should put an end to the controversy that recently occurred, in which gyrokinetic simulations using different numerical approaches yielded contradictory results. Finally, thanks to the optimization of the code, the gyrokinetic model has been extended to include the kinetic response of trapped

  17. Particle-in-cell Simulation of Dipolarization Front Associated Whistlers

    Science.gov (United States)

    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.

  18. Coupled Dyson-Schwinger equations and effects of self-consistency

    International Nuclear Information System (INIS)

    Wu, S.S.; Zhang, H.X.; Yao, Y.J.

    2001-01-01

    Using the σ-ω model as an effective tool, the effects of self-consistency are studied in some detail. A coupled set of Dyson-Schwinger equations for the renormalized baryon and meson propagators in the σ-ω model is solved self-consistently according to the dressed Hartree-Fock scheme, where the hadron propagators in both the baryon and meson self-energies are required to also satisfy this coupled set of equations. It is found that the self-consistency affects the baryon spectral function noticeably, if only the interaction with σ mesons is considered. However, there is a cancellation between the effects due to the σ and ω mesons and the additional contribution of ω mesons makes the above effect insignificant. In both the σ and σ-ω cases the effects of self-consistency on meson spectral function are perceptible, but they can nevertheless be taken account of without a self-consistent calculation. Our study indicates that to include the meson propagators in the self-consistency requirement is unnecessary and one can stop at an early step of an iteration procedure to obtain a good approximation to the fully self-consistent results of all the hadron propagators in the model, if an appropriate initial input is chosen. Vertex corrections and their effects on ghost poles are also studied

  19. The Darwin direct implicit particle-in-cell (DADIPIC) method for simulation of low frequency plasma phenomena

    International Nuclear Information System (INIS)

    Gibbons, M.R.; Hewett, D.W.

    1995-01-01

    We describe a new algorithm for simulating low frequency, kinetic phenomena in plasma. Darwin direct implicit particle-in-cell (DADIPIC), as its name implies, is a combination of the Darwin and direct implicit methods. Through the Darwin method the hyperbolic Maxwell's equations are reformulated into a set of elliptic equations. Propagating light waves do not exist in the formulation so the Courant constraint on the time step is eliminated. The direct implicit method is applied only to the electrostatic field with the result that electrostatic plasma oscillations do not have to be resolved for stability. With the elimination of these constraints spatial and temporal discretization can be much larger than that possible with explicit, electrodynamic PIC. We discuss the algorithms for pushing the particles and solving the fields in 2D cartesian geometry. We also detail boundary conditions for conductors and dielectrics. Finally, we present two test cases, electron cyclotron waves and collisionless heating in inductively coupled plasmas. For these test cases DADIPIC shows agreement with analytic kinetic theory and good energy conservation characteristics. 33 refs., 7 figs., 2 tabs

  20. The effects of particle recycling on the divertor plasma: A particle-in-cell with Monte Carlo collision simulation

    Science.gov (United States)

    Chang, Mingyu; Sang, Chaofeng; Sun, Zhenyue; Hu, Wanpeng; Wang, Dezhen

    2018-05-01

    A Particle-In-Cell (PIC) with Monte Carlo Collision (MCC) model is applied to study the effects of particle recycling on divertor plasma in the present work. The simulation domain is the scrape-off layer of the tokamak in one-dimension along the magnetic field line. At the divertor plate, the reflected deuterium atoms (D) and thermally released deuterium molecules (D2) are considered. The collisions between the plasma particles (e and D+) and recycled neutral particles (D and D2) are described by the MCC method. It is found that the recycled neutral particles have a great impact on divertor plasma. The effects of different collisions on the plasma are simulated and discussed. Moreover, the impacts of target materials on the plasma are simulated by comparing the divertor with Carbon (C) and Tungsten (W) targets. The simulation results show that the energy and momentum losses of the C target are larger than those of the W target in the divertor region even without considering the impurity particles, whereas the W target has a more remarkable influence on the core plasma.

  1. BOA, Beam Optics Analyzer A Particle-In-Cell Code

    International Nuclear Information System (INIS)

    Bui, Thuc

    2007-01-01

    The program was tasked with implementing time dependent analysis of charges particles into an existing finite element code with adaptive meshing, called Beam Optics Analyzer (BOA). BOA was initially funded by a DOE Phase II program to use the finite element method with adaptive meshing to track particles in unstructured meshes. It uses modern programming techniques, state-of-the-art data structures, so that new methods, features and capabilities are easily added and maintained. This Phase II program was funded to implement plasma simulations in BOA and extend its capabilities to model thermal electrons, secondary emissions, self magnetic field and implement a more comprehensive post-processing and feature-rich GUI. The program was successful in implementing thermal electrons, secondary emissions, and self magnetic field calculations. The BOA GUI was also upgraded significantly, and CCR is receiving interest from the microwave tube and semiconductor equipment industry for the code. Implementation of PIC analysis was partially successful. Computational resource requirements for modeling more than 2000 particles begin to exceed the capability of most readily available computers. Modern plasma analysis typically requires modeling of approximately 2 million particles or more. The problem is that tracking many particles in an unstructured mesh that is adapting becomes inefficient. In particular memory requirements become excessive. This probably makes particle tracking in unstructured meshes currently unfeasible with commonly available computer resources. Consequently, Calabazas Creek Research, Inc. is exploring hybrid codes where the electromagnetic fields are solved on the unstructured, adaptive mesh while particles are tracked on a fixed mesh. Efficient interpolation routines should be able to transfer information between nodes of the two meshes. If successfully developed, this could provide high accuracy and reasonable computational efficiency.

  2. Recent status of FCI: PIC simulation of coupled-cavity structure

    International Nuclear Information System (INIS)

    Shintake, Tsumoru

    1996-01-01

    New version of FCI (Field Charge Interaction)-code simulates beam dynamics of an electron beam running in a coupled-cavity structure, such as a multi-cell output structure in a klystron amplifier, a coupled cavity TWT amplifier, a bunching structure in an electron injector and also an rf-gun with multi-cell accelerating cavity. The particle-in-cell simulation takes into account the space charge field, the beam loading effect and energy exchange with an external circuit in a self-consistent manner. (author)

  3. Self-consistent tight-binding model of B and N doping in graphene

    DEFF Research Database (Denmark)

    Pedersen, Thomas Garm; Pedersen, Jesper Goor

    2013-01-01

    . The impurity potential depends sensitively on the impurity occupancy, leading to a self-consistency requirement. We solve this problem using the impurity Green's function and determine the self-consistent local density of states at the impurity site and, thereby, identify acceptor and donor energy resonances.......Boron and nitrogen substitutional impurities in graphene are analyzed using a self-consistent tight-binding approach. An analytical result for the impurity Green's function is derived taking broken electron-hole symmetry into account and validated by comparison to numerical diagonalization...

  4. Elastic constants of the hard disc system in the self-consistent free volume approximation

    International Nuclear Information System (INIS)

    Wojciechowski, K.W.

    1990-09-01

    Elastic moduli of the two dimensional hard disc crystal are determined exactly within the Kirkwood self-consistent free volume approximation and compared with the Monte Carlo simulation results. (author). 22 refs, 1 fig., 1 tab

  5. Self-consistent theory of a harmonic gyroklystron with a minimum Q cavity

    International Nuclear Information System (INIS)

    Tran, T.M.; Kreischer, K.E.; Temkin, R.J.

    1986-01-01

    In this paper, the energy extraction stage of the gyroklystron [in Advances in Electronics and Electron Physics, edited by C. Marton (Academic, New York, 1979), Vol. 1, pp. 1--54], with a minimum Q cavity is investigated by using a self-consistent radio-frequency (rf) field model. In the low-field, low-current limit, expressions for the self-consistent field and the resulting energy extraction efficiency are derived analytically for an arbitrary cyclotron harmonic number. To our knowledge, these are the first analytic results for the self-consistent field structure and efficiency of a gyrotron device. The large signal regime analysis is carried out by numerically integrating the coupled self-consistent equations. Several examples in this regime are presented

  6. Self-consistent hybrid functionals for solids: a fully-automated implementation

    Science.gov (United States)

    Erba, A.

    2017-08-01

    A fully-automated algorithm for the determination of the system-specific optimal fraction of exact exchange in self-consistent hybrid functionals of the density-functional-theory is illustrated, as implemented into the public Crystal program. The exchange fraction of this new class of functionals is self-consistently updated proportionally to the inverse of the dielectric response of the system within an iterative procedure (Skone et al 2014 Phys. Rev. B 89, 195112). Each iteration of the present scheme, in turn, implies convergence of a self-consistent-field (SCF) and a coupled-perturbed-Hartree-Fock/Kohn-Sham (CPHF/KS) procedure. The present implementation, beside improving the user-friendliness of self-consistent hybrids, exploits the unperturbed and electric-field perturbed density matrices from previous iterations as guesses for subsequent SCF and CPHF/KS iterations, which is documented to reduce the overall computational cost of the whole process by a factor of 2.

  7. Self-consistent approach to the eletronic problem in disordered solids

    International Nuclear Information System (INIS)

    Taguena-Martinez, J.; Barrio, R.A.; Martinez, E.; Yndurain, F.

    1984-01-01

    It is developed a simple formalism which allows us to perform a self consistent non-parametrized calculation in a non-periodic system, by finding out the thermodynamically averaged Green's function of a cluster Bethe lattice system. (Author) [pt

  8. E × B electron drift instability in Hall thrusters: Particle-in-cell simulations vs. theory

    Science.gov (United States)

    Boeuf, J. P.; Garrigues, L.

    2018-06-01

    The E × B Electron Drift Instability (E × B EDI), also called Electron Cyclotron Drift Instability, has been observed in recent particle simulations of Hall thrusters and is a possible candidate to explain anomalous electron transport across the magnetic field in these devices. This instability is characterized by the development of an azimuthal wave with wavelength in the mm range and velocity on the order of the ion acoustic velocity, which enhances electron transport across the magnetic field. In this paper, we study the development and convection of the E × B EDI in the acceleration and near plume regions of a Hall thruster using a simplified 2D axial-azimuthal Particle-In-Cell simulation. The simulation is collisionless and the ionization profile is not-self-consistent but rather is given as an input parameter of the model. The aim is to study the development and properties of the instability for different values of the ionization rate (i.e., of the total ion production rate or current) and to compare the results with the theory. An important result is that the wavelength of the simulated azimuthal wave scales as the electron Debye length and that its frequency is on the order of the ion plasma frequency. This is consistent with the theory predicting destruction of electron cyclotron resonance of the E × B EDI in the non-linear regime resulting in the transition to an ion acoustic instability. The simulations also show that for plasma densities smaller than under nominal conditions of Hall thrusters the field fluctuations induced by the E × B EDI are no longer sufficient to significantly enhance electron transport across the magnetic field, and transit time instabilities develop in the axial direction. The conditions and results of the simulations are described in detail in this paper and they can serve as benchmarks for comparisons between different simulation codes. Such benchmarks would be very useful to study the role of numerical noise (numerical

  9. Renormalization of self-consistent approximation schemes at finite temperature. II. Applications to the sunset diagram

    International Nuclear Information System (INIS)

    Hees, Hendrik van; Knoll, Joern

    2002-01-01

    The theoretical concepts for the renormalization of self-consistent Dyson resummations, devised in the first paper of this series, are applied to first example cases of φ 4 theory. In addition to the tadpole (Hartree) approximation, as a novel part the numerical solutions are presented, which include the sunset self-energy diagram into the self-consistent scheme based on the Φ-derivable approximation or the two-particle irreducible effective action concept

  10. Mean fields and self consistent normal ordering of lattice spin and gauge field theories

    International Nuclear Information System (INIS)

    Ruehl, W.

    1986-01-01

    Classical Heisenberg spin models on lattices possess mean field theories that are well defined real field theories on finite lattices. These mean field theories can be self consistently normal ordered. This leads to a considerable improvement over standard mean field theory. This concept is carried over to lattice gauge theories. We construct first an appropriate real mean field theory. The equations determining the Gaussian kernel necessary for self-consistent normal ordering of this mean field theory are derived. (orig.)

  11. Self-consistent one-gluon exchange in soliton bag models

    International Nuclear Information System (INIS)

    Dodd, L.R.; Adelaide Univ.; Williams, A.G.

    1988-01-01

    The treatment of soliton bag models as two-point boundary value problems is extended to include self-consistent one-gluon exchange interactions. The colour-magnetic contribution to the nucleon-delta mass splitting is calculated self-consistently in the mean-field, one-gluon-exchange approximation for the Friedberg-Lee and Nielsen-Patkos models. Small glueball mass parameters (m GB ∝ 500 MeV) are favoured. Comparisons with previous calculations are made. (orig.)

  12. Renormalization of self-consistent approximation schemes at finite temperature II: applications to the sunset diagram

    International Nuclear Information System (INIS)

    Hees, H. van; Knoll, J.

    2001-01-01

    The theoretical concepts for the renormalization of self-consistent Dyson resummations, deviced in the first paper of this series, are applied to first example cases for the φ 4 -theory. Besides the tadpole (Hartree) approximation as a novel part the numerical solutions are presented which includes the sunset self-energy diagram into the self-consistent scheme based on the Φ-derivable approximation or 2PI effective action concept. (orig.)

  13. Generation of static solutions of the self-consistent system of Einstein-Maxwell equations

    International Nuclear Information System (INIS)

    Anchikov, A.M.; Daishev, R.A.

    1988-01-01

    A theorem is proved, according to which to each solution of the Einstein equations with an arbitrary momentum-energy tensor in the right hand side there corresponds a static solution of the self-consistent system of Einstein-Maxwell equations. As a consequence of this theorem, a method is established of generating static solutions of the self-consistent system of Einstein-Maxwell equations with a charged grain as a source of vacuum solutions of the Einstein equations

  14. A high-order particle-in-cell method for low density plasma flow and the simulation of gyrotron resonator devices

    International Nuclear Information System (INIS)

    Stock, Andreas

    2013-01-01

    Within this thesis a parallelized, transient, three-dimensional, high-order discontinuous Galerkin Particle-in-Cell solver is developed and used to simulate the resonant cavity of a gyrotron. The high-order discontinuous Galerkin approach - a Finite-Element type method - provides a fast and efficient algorithm to numerically solve Maxwell's equations used within this thesis. Besides its outstanding dissipation and dispersion properties, the discontinuous Galerkin approach easily allows for using unstructured grids, as required to simulate complex-shaped engineering devices. The discontinuous Galerkin approach approximates a wavelength with significantly less degrees of freedom compared to other methods, e.g. Finite Difference methods. Furthermore, the parallelization capabilities of the discontinuous Galerkin framework are excellent due to the very local dependencies between the elements. These properties are essential for the efficient numerical treatment of the Vlasov-Maxwell system with the Particle-in-Cell method. This system describes the self-consistent interaction of charged particles and the electromagnetic field. As central application within this thesis gyrotron resonators are simulated with the discontinuous Galerkin Particle-in-Cell method on high-performance-computers. The gyrotron is a high-power millimeter wave source, used for the electron cyclotron resonance heating of magnetically confined fusion plasma, e.g. in the Wendelstein 7-X experimental fusion-reactor. Compared to state-of-the-art simulation tools used for the design of gyrotron resonators the Particle-in-Cell method does not use any significant physically simplifications w.r.t. the modelling of the particle-field-interaction, the geometry and the wave-spectrum. Hence, it is the method of choice for validation of current simulation tools being restricted by these simplifications. So far, the Particle-in-Cell method was restricted to be used for demonstration calculations only, because

  15. A high-order particle-in-cell method for low density plasma flow and the simulation of gyrotron resonator devices

    Energy Technology Data Exchange (ETDEWEB)

    Stock, Andreas

    2013-04-26

    Within this thesis a parallelized, transient, three-dimensional, high-order discontinuous Galerkin Particle-in-Cell solver is developed and used to simulate the resonant cavity of a gyrotron. The high-order discontinuous Galerkin approach - a Finite-Element type method - provides a fast and efficient algorithm to numerically solve Maxwell's equations used within this thesis. Besides its outstanding dissipation and dispersion properties, the discontinuous Galerkin approach easily allows for using unstructured grids, as required to simulate complex-shaped engineering devices. The discontinuous Galerkin approach approximates a wavelength with significantly less degrees of freedom compared to other methods, e.g. Finite Difference methods. Furthermore, the parallelization capabilities of the discontinuous Galerkin framework are excellent due to the very local dependencies between the elements. These properties are essential for the efficient numerical treatment of the Vlasov-Maxwell system with the Particle-in-Cell method. This system describes the self-consistent interaction of charged particles and the electromagnetic field. As central application within this thesis gyrotron resonators are simulated with the discontinuous Galerkin Particle-in-Cell method on high-performance-computers. The gyrotron is a high-power millimeter wave source, used for the electron cyclotron resonance heating of magnetically confined fusion plasma, e.g. in the Wendelstein 7-X experimental fusion-reactor. Compared to state-of-the-art simulation tools used for the design of gyrotron resonators the Particle-in-Cell method does not use any significant physically simplifications w.r.t. the modelling of the particle-field-interaction, the geometry and the wave-spectrum. Hence, it is the method of choice for validation of current simulation tools being restricted by these simplifications. So far, the Particle-in-Cell method was restricted to be used for demonstration calculations only, because

  16. A fully-implicit Particle-In-Cell Monte Carlo Collision code for the simulation of inductively coupled plasmas

    Science.gov (United States)

    Mattei, S.; Nishida, K.; Onai, M.; Lettry, J.; Tran, M. Q.; Hatayama, A.

    2017-12-01

    We present a fully-implicit electromagnetic Particle-In-Cell Monte Carlo collision code, called NINJA, written for the simulation of inductively coupled plasmas. NINJA employs a kinetic enslaved Jacobian-Free Newton Krylov method to solve self-consistently the interaction between the electromagnetic field generated by the radio-frequency coil and the plasma response. The simulated plasma includes a kinetic description of charged and neutral species as well as the collision processes between them. The algorithm allows simulations with cell sizes much larger than the Debye length and time steps in excess of the Courant-Friedrichs-Lewy condition whilst preserving the conservation of the total energy. The code is applied to the simulation of the plasma discharge of the Linac4 H- ion source at CERN. Simulation results of plasma density, temperature and EEDF are discussed and compared with optical emission spectroscopy measurements. A systematic study of the energy conservation as a function of the numerical parameters is presented.

  17. Low-noise Collision Operators for Particle-in-cell Simulations

    International Nuclear Information System (INIS)

    Lewandowski, J.L.V.

    2005-01-01

    A new method to implement low-noise collision operators in particle-in-cell simulations is presented. The method is based on the fact that relevant collision operators can be included naturally in the Lagrangian formulation that exemplifies the particle-in-cell simulation method. Numerical simulations show that the momentum and energy conservation properties of the simulated plasma associated with the low-noise collision operator are improved as compared with standard collision algorithms based on random numbers

  18. A deformable particle-in-cell method for advective transport in geodynamic modeling

    Science.gov (United States)

    Samuel, Henri

    2018-06-01

    This paper presents an improvement of the particle-in-cell method commonly used in geodynamic modeling for solving pure advection of sharply varying fields. Standard particle-in-cell approaches use particle kernels to transfer the information carried by the Lagrangian particles to/from the Eulerian grid. These kernels are generally one-dimensional and non-evolutive, which leads to the development of under- and over-sampling of the spatial domain by the particles. This reduces the accuracy of the solution, and may require the use of a prohibitive amount of particles in order to maintain the solution accuracy to an acceptable level. The new proposed approach relies on the use of deformable kernels that account for the strain history in the vicinity of particles. It results in a significant improvement of the spatial sampling by the particles, leading to a much higher accuracy of the numerical solution, for a reasonable computational extra cost. Various 2D tests were conducted to compare the performances of the deformable particle-in-cell method with the particle-in-cell approach. These consistently show that at comparable accuracy, the deformable particle-in-cell method was found to be four to six times more efficient than standard particle-in-cell approaches. The method could be adapted to 3D space and generalized to cases including motionless transport.

  19. MultiSIMNRA: A computational tool for self-consistent ion beam analysis using SIMNRA

    International Nuclear Information System (INIS)

    Silva, T.F.; Rodrigues, C.L.; Mayer, M.; Moro, M.V.; Trindade, G.F.; Aguirre, F.R.; Added, N.; Rizzutto, M.A.; Tabacniks, M.H.

    2016-01-01

    Highlights: • MultiSIMNRA enables the self-consistent analysis of multiple ion beam techniques. • Self-consistent analysis enables unequivocal and reliable modeling of the sample. • Four different computational algorithms available for model optimizations. • Definition of constraints enables to include prior knowledge into the analysis. - Abstract: SIMNRA is widely adopted by the scientific community of ion beam analysis for the simulation and interpretation of nuclear scattering techniques for material characterization. Taking advantage of its recognized reliability and quality of the simulations, we developed a computer program that uses multiple parallel sessions of SIMNRA to perform self-consistent analysis of data obtained by different ion beam techniques or in different experimental conditions of a given sample. In this paper, we present a result using MultiSIMNRA for a self-consistent multi-elemental analysis of a thin film produced by magnetron sputtering. The results demonstrate the potentialities of the self-consistent analysis and its feasibility using MultiSIMNRA.

  20. Integrable motion of curves in self-consistent potentials: Relation to spin systems and soliton equations

    Energy Technology Data Exchange (ETDEWEB)

    Myrzakulov, R.; Mamyrbekova, G.K.; Nugmanova, G.N.; Yesmakhanova, K.R. [Eurasian International Center for Theoretical Physics and Department of General and Theoretical Physics, Eurasian National University, Astana 010008 (Kazakhstan); Lakshmanan, M., E-mail: lakshman@cnld.bdu.ac.in [Centre for Nonlinear Dynamics, School of Physics, Bharathidasan University, Tiruchirapalli 620 024 (India)

    2014-06-13

    Motion of curves and surfaces in R{sup 3} lead to nonlinear evolution equations which are often integrable. They are also intimately connected to the dynamics of spin chains in the continuum limit and integrable soliton systems through geometric and gauge symmetric connections/equivalence. Here we point out the fact that a more general situation in which the curves evolve in the presence of additional self-consistent vector potentials can lead to interesting generalized spin systems with self-consistent potentials or soliton equations with self-consistent potentials. We obtain the general form of the evolution equations of underlying curves and report specific examples of generalized spin chains and soliton equations. These include principal chiral model and various Myrzakulov spin equations in (1+1) dimensions and their geometrically equivalent generalized nonlinear Schrödinger (NLS) family of equations, including Hirota–Maxwell–Bloch equations, all in the presence of self-consistent potential fields. The associated gauge equivalent Lax pairs are also presented to confirm their integrability. - Highlights: • Geometry of continuum spin chain with self-consistent potentials explored. • Mapping on moving space curves in R{sup 3} in the presence of potential fields carried out. • Equivalent generalized nonlinear Schrödinger (NLS) family of equations identified. • Integrability of identified nonlinear systems proved by deducing appropriate Lax pairs.

  1. Doubly self-consistent field theory of grafted polymers under simple shear in steady state

    International Nuclear Information System (INIS)

    Suo, Tongchuan; Whitmore, Mark D.

    2014-01-01

    We present a generalization of the numerical self-consistent mean-field theory of polymers to the case of grafted polymers under simple shear. The general theoretical framework is presented, and then applied to three different chain models: rods, Gaussian chains, and finitely extensible nonlinear elastic (FENE) chains. The approach is self-consistent at two levels. First, for any flow field, the polymer density profile and effective potential are calculated self-consistently in a manner similar to the usual self-consistent field theory of polymers, except that the calculation is inherently two-dimensional even for a laterally homogeneous system. Second, through the use of a modified Brinkman equation, the flow field and the polymer profile are made self-consistent with respect to each other. For all chain models, we find that reasonable levels of shear cause the chains to tilt, but it has very little effect on the overall thickness of the polymer layer, causing a small decrease for rods, and an increase of no more than a few percent for the Gaussian and FENE chains. Using the FENE model, we also probe the individual bond lengths, bond correlations, and bond angles along the chains, the effects of the shear on them, and the solvent and bonded stress profiles. We find that the approximations needed within the theory for the Brinkman equation affect the bonded stress, but none of the other quantities

  2. 2D PIC simulations for an EN discharge with magnetized electrons and unmagnetized ions

    Science.gov (United States)

    Lieberman, Michael A.; Kawamura, Emi; Lichtenberg, Allan J.

    2009-10-01

    We conducted 2D particle-in-cell (PIC) simulations for an electronegative (EN) discharge with magnetized electrons and unmagnetized ions, and compared the results to a previously developed 1D (radial) analytical model of an EN plasma with strongly magnetized electrons and weakly magnetized ions [1]. In both cases, there is a static uniform applied magnetic field in the axial direction. The 1D radial model mimics the wall losses of the particles in the axial direction by introducing a bulk loss frequency term νL. A special (desired) solution was found in which only positive and negative ions but no electrons escaped radially. The 2D PIC results show good agreement with the 1D model over a range of parameters and indicate that the analytical form of νL employed in [1] is reasonably accurate. However, for the PIC simulations, there is always a finite flux of electrons to the radial wall which is about 10 to 30% of the negative ion flux.[4pt] [1] G. Leray, P. Chabert, A.J. Lichtenberg and M.A. Lieberman, J. Phys. D, accepted for publication 2009.

  3. The numerical multiconfiguration self-consistent field approach for atoms; Der numerische Multiconfiguration Self-Consistent Field-Ansatz fuer Atome

    Energy Technology Data Exchange (ETDEWEB)

    Stiehler, Johannes

    1995-12-15

    The dissertation uses the Multiconfiguration Self-Consistent Field Approach to specify the electronic wave function of N electron atoms in a static electrical field. It presents numerical approaches to describe the wave functions and introduces new methods to compute the numerical Fock equations. Based on results computed with an implemented computer program the universal application, flexibility and high numerical precision of the presented approach is shown. RHF results and for the first time MCSCF results for polarizabilities and hyperpolarizabilities of various states of the atoms He to Kr are discussed. In addition, an application to interpret a plasma spectrum of gallium is presented. (orig.)

  4. The influence of thermodynamic self-consistency on the phase behaviour of symmetric binary mixtures

    CERN Document Server

    Scholl-Paschinger, E; Kahl, G

    2004-01-01

    We have investigated the phase behaviour of a symmetric binary mixture with particles interacting via hard-core Yukawa potentials. To calculate the thermodynamic properties we have used the mean spherical approximation (MSA), a conventional liquid state theory, and the closely related self-consistent Ornstein-Zernike approximation which is defined via an MSA-type closure relation, requiring, in addition, thermodynamic self-consistency between the compressibility and the energy-route. We investigate on a quantitative level the effect of the self-consistency requirement on the phase diagram and on the critical behaviour and confirm the existence of three archetypes of phase diagram, which originate from the competition between the first order liquid/vapour transition and the second order demixing transition.

  5. Multiplicative renormalizability and self-consistent treatments of the Schwinger-Dyson equations

    International Nuclear Information System (INIS)

    Brown, N.; Dorey, N.

    1989-11-01

    Many approximations to the Schwinger-Dyson equations place constraints on the renormalization constants of a theory. The requirement that the solutions to the equations be multiplicatively renormalizable also places constraints on these constants. Demanding that these two sets of constraints be compatible is an important test of the self-consistency of the approximations made. We illustrate this idea by considering the equation for the fermion propagator in massless quenched quantum electrodynamics, (QED), checking the consistency of various approximations. In particular, we show that the much used 'ladder' approximation is self-consistent, provided that the coupling constant is renormalized in a particular way. We also propose another approximation which satisfies this self-consistency test, but requires that the coupling be unrenormalized, as should be the case in the full quenched approximation. This new approximation admits an exact solution, which also satisfies the renormalization group equation for the quenched approximation. (author)

  6. Two new integrable couplings of the soliton hierarchies with self-consistent sources

    International Nuclear Information System (INIS)

    Tie-Cheng, Xia

    2010-01-01

    A kind of integrable coupling of soliton equations hierarchy with self-consistent sources associated with s-tilde l(4) has been presented (Yu F J and Li L 2009 Appl. Math. Comput. 207 171; Yu F J 2008 Phys. Lett. A 372 6613). Based on this method, we construct two integrable couplings of the soliton hierarchy with self-consistent sources by using the loop algebra s-tilde l(4). In this paper, we also point out that there are some errors in these references and we have corrected these errors and set up new formula. The method can be generalized to other soliton hierarchy with self-consistent sources. (general)

  7. Renormalization in self-consistent approximation schemes at finite temperature I: theory

    International Nuclear Information System (INIS)

    Hees, H. van; Knoll, J.

    2001-07-01

    Within finite temperature field theory, we show that truncated non-perturbative self-consistent Dyson resummation schemes can be renormalized with local counter-terms defined at the vacuum level. The requirements are that the underlying theory is renormalizable and that the self-consistent scheme follows Baym's Φ-derivable concept. The scheme generates both, the renormalized self-consistent equations of motion and the closed equations for the infinite set of counter terms. At the same time the corresponding 2PI-generating functional and the thermodynamic potential can be renormalized, in consistency with the equations of motion. This guarantees the standard Φ-derivable properties like thermodynamic consistency and exact conservation laws also for the renormalized approximation scheme to hold. The proof uses the techniques of BPHZ-renormalization to cope with the explicit and the hidden overlapping vacuum divergences. (orig.)

  8. Thermodynamically self-consistent integral equations and the structure of liquid metals

    International Nuclear Information System (INIS)

    Pastore, G.; Kahl, G.

    1987-01-01

    We discuss the application of the new thermodynamically self-consistent integral equations for the determination of the structural properties of liquid metals. We present a detailed comparison of the structure (S(q) and g(r)) for models of liquid alkali metals as obtained from two thermodynamically self-consistent integral equations and some published exact computer simulation results; the range of states extends from the triple point to the expanded metal. The theories which only impose thermodynamic self-consistency without any fitting of external data show an excellent agreement with the simulation results, thus demonstrating that this new type of integral equation is definitely superior to the conventional ones (hypernetted chain, Percus-Yevick, mean spherical approximation, etc). (author)

  9. Resolution of the Vlasov-Maxwell system by PIC discontinuous Galerkin method on GPU with OpenCL

    Directory of Open Access Journals (Sweden)

    Crestetto Anaïs

    2013-01-01

    Full Text Available We present an implementation of a Vlasov-Maxwell solver for multicore processors. The Vlasov equation describes the evolution of charged particles in an electromagnetic field, solution of the Maxwell equations. The Vlasov equation is solved by a Particle-In-Cell method (PIC, while the Maxwell system is computed by a Discontinuous Galerkin method. We use the OpenCL framework, which allows our code to run on multicore processors or recent Graphic Processing Units (GPU. We present several numerical applications to two-dimensional test cases.

  10. Self-consistent adjoint analysis for topology optimization of electromagnetic waves

    Science.gov (United States)

    Deng, Yongbo; Korvink, Jan G.

    2018-05-01

    In topology optimization of electromagnetic waves, the Gâteaux differentiability of the conjugate operator to the complex field variable results in the complexity of the adjoint sensitivity, which evolves the original real-valued design variable to be complex during the iterative solution procedure. Therefore, the self-inconsistency of the adjoint sensitivity is presented. To enforce the self-consistency, the real part operator has been used to extract the real part of the sensitivity to keep the real-value property of the design variable. However, this enforced self-consistency can cause the problem that the derived structural topology has unreasonable dependence on the phase of the incident wave. To solve this problem, this article focuses on the self-consistent adjoint analysis of the topology optimization problems for electromagnetic waves. This self-consistent adjoint analysis is implemented by splitting the complex variables of the wave equations into the corresponding real parts and imaginary parts, sequentially substituting the split complex variables into the wave equations with deriving the coupled equations equivalent to the original wave equations, where the infinite free space is truncated by the perfectly matched layers. Then, the topology optimization problems of electromagnetic waves are transformed into the forms defined on real functional spaces instead of complex functional spaces; the adjoint analysis of the topology optimization problems is implemented on real functional spaces with removing the variational of the conjugate operator; the self-consistent adjoint sensitivity is derived, and the phase-dependence problem is avoided for the derived structural topology. Several numerical examples are implemented to demonstrate the robustness of the derived self-consistent adjoint analysis.

  11. Self-consistent RPA based on a many-body vacuum

    International Nuclear Information System (INIS)

    Jemaï, M.; Schuck, P.

    2011-01-01

    Self-Consistent RPA is extended in a way so that it is compatible with a variational ansatz for the ground-state wave function as a fermionic many-body vacuum. Employing the usual equation-of-motion technique, we arrive at extended RPA equations of the Self-Consistent RPA structure. In principle the Pauli principle is, therefore, fully respected. However, the correlation functions entering the RPA matrix can only be obtained from a systematic expansion in powers of some combinations of RPA amplitudes. We demonstrate for a model case that this expansion may converge rapidly.

  12. Self-consistent Bayesian analysis of space-time symmetry studies

    International Nuclear Information System (INIS)

    Davis, E.D.

    1996-01-01

    We introduce a Bayesian method for the analysis of epithermal neutron transmission data on space-time symmetries in which unique assignment of the prior is achieved by maximisation of the cross entropy and the imposition of a self-consistency criterion. Unlike the maximum likelihood method used in previous analyses of parity-violation data, our method is freed of an ad hoc cutoff parameter. Monte Carlo studies indicate that our self-consistent Bayesian analysis is superior to the maximum likelihood method when applied to the small data samples typical of symmetry studies. (orig.)

  13. Self-consistent descriptions of vector mesons in hot matter reexamined

    International Nuclear Information System (INIS)

    Riek, Felix; Knoll, Joern

    2010-01-01

    Technical concepts are presented that improve the self-consistent treatment of vector mesons in a hot and dense medium. First applications concern an interacting gas of pions and ρ mesons. As an extension of earlier studies, we thereby include random-phase-approximation-type vertex corrections and further use dispersion relations to calculate the real part of the vector-meson self-energy. An improved projection method preserves the four transversality of the vector-meson polarization tensor throughout the self-consistent calculations, thereby keeping the scheme void of kinematical singularities.

  14. Vibrational multiconfiguration self-consistent field theory: implementation and test calculations.

    Science.gov (United States)

    Heislbetz, Sandra; Rauhut, Guntram

    2010-03-28

    A state-specific vibrational multiconfiguration self-consistent field (VMCSCF) approach based on a multimode expansion of the potential energy surface is presented for the accurate calculation of anharmonic vibrational spectra. As a special case of this general approach vibrational complete active space self-consistent field calculations will be discussed. The latter method shows better convergence than the general VMCSCF approach and must be considered the preferred choice within the multiconfigurational framework. Benchmark calculations are provided for a small set of test molecules.

  15. Generation of static solutions of self-consistent system of Einstein-Maxwell equations

    International Nuclear Information System (INIS)

    Anchikov, A.M.; Daishev, R.A.

    1988-01-01

    The theorem, according to which the static solution of the self-consistent system of the Einstein-Maxwell equations is assigned to energy static solution of the Einstein equations with the arbitrary energy-momentum tensor in the right part, is proved. As a consequence of this theorem, the way of the generation of the static solutions of the self-consistent system of the Einstein-Maxwell equations with charged dust as a source of the vacuum solutions of the Einstein equations is shown

  16. Self-consistent cluster theory for systems with off-diagonal disorder

    International Nuclear Information System (INIS)

    Kaplan, T.; Leath, P.L.; Gray, L.J.; Diehl, H.W.

    1980-01-01

    A self-consistent cluster theory for elementary excitations in systems with diagonal, off-diagonal, and environmental disorder is presented. The theory is developed in augmented space where the configurational average over the disorder is replaced by a ground-state matrix element in a translationally invariant system. The analyticity of the resulting approximate Green's function is proved. Numerical results for the self-consistent single-site and pair approximations are presented for the vibrational and electronic properties of disordered linear chains with diagonal, off-diagonal, and environmental disorder

  17. Self-consistent study of local and nonlocal magnetoresistance in a YIG/Pt bilayer

    Science.gov (United States)

    Wang, Xi-guang; Zhou, Zhen-wei; Nie, Yao-zhuang; Xia, Qing-lin; Guo, Guang-hua

    2018-03-01

    We present a self-consistent study of the local spin Hall magnetoresistance (SMR) and nonlocal magnon-mediated magnetoresistance (MMR) in a heavy-metal/magnetic-insulator heterostructure at finite temperature. We find that the thermal fluctuation of magnetization significantly affects the SMR. It appears unidirectional with respect to the direction of electrical current (or magnetization). The unidirectionality of SMR originates from the asymmetry of creation or annihilation of thermal magnons induced by the spin Hall torque. Also, a self-consistent model can well describe the features of MMR.

  18. Multi-component nuclear energy system to meet requirement of self-consistency

    International Nuclear Information System (INIS)

    Saito, Masaki; Artisyuk, Vladimir; Shmelev, Anotolii; Korovin, Yorii

    2000-01-01

    Environmental harmonization of nuclear energy technology is considered as an absolutely necessary condition in its future successful development for peaceful use. Establishment of Self-Consistent Nuclear Energy System, that simultaneously meets four requirements - energy production, fuel production, burning of radionuclides and safety, strongly relies on the neutron excess generation. Implementation of external non-fission based neutron sources into fission energy system would open the possibility of approaching Multicomponent Self-Consistent Nuclear Energy System with unlimited fuel resources, zero radioactivity release and high protection against uncontrolled proliferation of nuclear materials. (author)

  19. The self-consistent calculation of the edge states in bilayer quantum Hall bar

    International Nuclear Information System (INIS)

    Kavruk, A E; Orzturk, T; Orzturk, A; Atav, U; Yuksel, H

    2011-01-01

    In this study, we present the spatial distributions of the edge channels for each layer in bilayer quantum Hall bar geometry for a wide range of applied magnetic fields. For this purpose, we employ a self-consistent Thomas-Fermi-Poisson approach to obtain the electron density distributions and related screened potential distributions. In order to have a more realistic description of the system we solve three dimensional Poisson equation numerically in each iteration step to obtain self consistency in the Thomas-Fermi-Poisson approach instead of employing a 'frozen gate' approximation.

  20. Self-consistent Green’s-function technique for surfaces and interfaces

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1991-01-01

    We have implemented an efficient self-consistent Green’s-function technique for calculating ground-state properties of surfaces and interfaces, based on the linear-muffin-tin-orbitals method within the tight-binding representation. In this approach the interlayer interaction is extremely short...... ranged, and only a few layers close to the interface need be treated self-consistently via a Dyson equation. For semi-infinite jellium, the technique gives work functions and surface energies that are in excellent agreement with earlier calculations. For the bcc(110) surface of the alkali metals, we find...

  1. Particle-in-cell simulations of asymmetric guide-field reconnection: quadrupolar structure of Hall magnetic field

    Science.gov (United States)

    Schmitz, R. G.; Alves, M. V.; Barbosa, M. V. G.

    2017-12-01

    One of the most important processes that occurs in Earth's magnetosphere is known as magnetic reconnection (MR). This process can be symmetric or asymmetric, depending basically on the plasma density and magnetic field in both sides of the current sheet. A good example of symmetric reconnection in terrestrial magnetosphere occurs in the magnetotail, where these quantities are similar on the north and south lobes. In the dayside magnetopause MR is asymmetric, since the plasma regimes and magnetic fields of magnetosheath and magnetosphere are quite different. Symmetric reconnection has some unique signatures. For example, the formation of a quadrupolar structure of Hall magnetic field and a bipolar Hall electric field that points to the center of the current sheet. The different particle motions in the presence of asymmetries change these signatures, causing the quadrupolar pattern to be distorted and forming a bipolar structure. Also, the bipolar Hall electric field is modified and gives rise to a single peak pointing toward the magnetosheat, considering an example of magnetopause reconnection. The presence of a guide-field can also distort the quadrupolar pattern, by giving a shear angle across the current sheet and altering the symmetric patterns, according to previous simulations and observations. Recently, a quadrupolar structure was observed in an asymmetric guide-field MR event using MMS (Magnetospheric Multiscale) mission data [Peng et al., JGR, 2017]. This event shows clearly that the density asymmetry and the guide-field were not sufficient to form signatures of asymmetric reconnection. Using the particle-in-cell code iPIC3D [Markidis et al, Mathematics and Computers in Simulation, 2010] with the MMS data from this event used to define input parameters, we found a quadrupolar structure of Hall magnetic field and a bipolar pattern of Hall electric field in ion scales, showing that our results are in an excellent agreement with the MMS observations. To our

  2. PIC simulation of the electron-ion collision effects on suprathermal electrons

    International Nuclear Information System (INIS)

    Wu Yanqing; Han Shensheng

    2000-01-01

    The generation and transportation of suprathermal electrons are important to both traditional ICF scheme and 'Fast Ignition' scheme. The author discusses the effects of electron-ion collision on the generation and transportation of the suprathermal electrons by parametric instability. It indicates that the weak electron-ion term in the PIC simulation results in the enhancement of the collisional absorption and increase of the hot electron temperature and reduction in the maximum electrostatic field amplitude while wave breaking. Therefore the energy and distribution of the suprathermal electrons are changed. They are distributed more close to the phase velocity of the electrostatic wave than the case without electron-ion collision term. The electron-ion collision enhances the self-consistent field and impedes the suprathermal electron transportation. These factors also reduce the suprathermal electron energy. In addition, the authors discuss the effect of initial condition on PIC simulation to ensure that the results are correct

  3. Spectral properties and associated plasma energization by magnetosonic waves in the Earth's magnetosphere: Particle-in-cell simulations

    Science.gov (United States)

    Sun, Jicheng; Gao, Xinliang; Lu, Quanming; Chen, Lunjin; Liu, Xu; Wang, Xueyi; Tao, Xin; Wang, Shui

    2017-05-01

    In this paper, we perform a 1-D particle-in-cell (PIC) simulation model consisting of three species, cold electrons, cold ions, and energetic ion ring, to investigate spectral structures of magnetosonic waves excited by ring distribution protons in the Earth's magnetosphere, and dynamics of charged particles during the excitation of magnetosonic waves. As the wave normal angle decreases, the spectral range of excited magnetosonic waves becomes broader with upper frequency limit extending beyond the lower hybrid resonant frequency, and the discrete spectra tends to merge into a continuous one. This dependence on wave normal angle is consistent with the linear theory. The effects of magnetosonic waves on the background cold plasma populations also vary with wave normal angle. For exactly perpendicular magnetosonic waves (parallel wave number k|| = 0), there is no energization in the parallel direction for both background cold protons and electrons due to the negligible fluctuating electric field component in the parallel direction. In contrast, the perpendicular energization of background plasmas is rather significant, where cold protons follow unmagnetized motion while cold electrons follow drift motion due to wave electric fields. For magnetosonic waves with a finite k||, there exists a nonnegligible parallel fluctuating electric field, leading to a significant and rapid energization in the parallel direction for cold electrons. These cold electrons can also be efficiently energized in the perpendicular direction due to the interaction with the magnetosonic wave fields in the perpendicular direction. However, cold protons can be only heated in the perpendicular direction, which is likely caused by the higher-order resonances with magnetosonic waves. The potential impacts of magnetosonic waves on the energization of the background cold plasmas in the Earth's inner magnetosphere are also discussed in this paper.

  4. Integrated Work Management: PIC, Course 31884

    Energy Technology Data Exchange (ETDEWEB)

    Simpson, Lewis Edward [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-09-08

    The person-in-charge (PIC) plays a key role in the integrated work management (IWM) process at Los Alamos National Laboratory (LANL, or the Laboratory) because the PIC is assigned responsibility and authority by the responsible line manager (RLM) for the overall validation, coordination, release, execution, and closeout of a work activity in accordance with IWM. This course, Integrated Work Management: PIC (Course 31884), describes the PIC’s IWM roles and responsibilities. This course also discusses IWM requirements that the PIC must meet. For a general overview of the IWM process, see self-study Course 31881, Integrated Work Management: Overview. For instruction on the preparer’s role, see self-study Course 31883, Integrated Work Management: Preparer.

  5. Self-consistent Ginzburg-Landau theory for transport currents in superconductors

    DEFF Research Database (Denmark)

    Ögren, Magnus; Sørensen, Mads Peter; Pedersen, Niels Falsig

    2012-01-01

    We elaborate on boundary conditions for Ginzburg-Landau (GL) theory in the case of external currents. We implement a self-consistent theory within the finite element method (FEM) and present numerical results for a two-dimensional rectangular geometry. We emphasize that our approach can in princi...... in principle also be used for general geometries in three-dimensional superconductors....

  6. Enriching Elementary Quantum Mechanics with the Computer: Self-Consistent Field Problems in One Dimension

    Science.gov (United States)

    Bolemon, Jay S.; Etzold, David J.

    1974-01-01

    Discusses the use of a small computer to solve self-consistent field problems of one-dimensional systems of two or more interacting particles in an elementary quantum mechanics course. Indicates that the calculation can serve as a useful introduction to the iterative technique. (CC)

  7. Total energy calculation of perovskite, BaTiO3, by self-consistent

    Indian Academy of Sciences (India)

    Unknown

    rgy, lattice constant, density of states, band structure etc using self-consistent tight binding method. ... share the paraelectric simple-cubic perovskite structure .... of neighbouring ions. In order to find the ground state, we solve the variation problem, minimizing Etot with respect to the coefficients, .*,λµ ic. The final equation is.

  8. Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment.

    Science.gov (United States)

    Dresselhaus, Thomas; Neugebauer, Johannes; Knecht, Stefan; Keller, Sebastian; Ma, Yingjin; Reiher, Markus

    2015-01-28

    We present the first implementation of a density matrix renormalization group algorithm embedded in an environment described by density functional theory. The frozen density embedding scheme is used with a freeze-and-thaw strategy for a self-consistent polarization of the orbital-optimized wavefunction and the environmental densities with respect to each other.

  9. Approximate self-consistent potentials for density-functional-theory exchange-correlation functionals

    International Nuclear Information System (INIS)

    Cafiero, Mauricio; Gonzalez, Carlos

    2005-01-01

    We show that potentials for exchange-correlation functionals within the Kohn-Sham density-functional-theory framework may be written as potentials for simpler functionals multiplied by a factor close to unity, and in a self-consistent field calculation, these effective potentials find the correct self-consistent solutions. This simple theory is demonstrated with self-consistent exchange-only calculations of the atomization energies of some small molecules using the Perdew-Kurth-Zupan-Blaha (PKZB) meta-generalized-gradient-approximation (meta-GGA) exchange functional. The atomization energies obtained with our method agree with or surpass previous meta-GGA calculations performed in a non-self-consistent manner. The results of this work suggest the utility of this simple theory to approximate exchange-correlation potentials corresponding to energy functionals too complicated to generate closed forms for their potentials. We hope that this method will encourage the development of complex functionals which have correct boundary conditions and are free of self-interaction errors without the worry that the functionals are too complex to differentiate to obtain potentials

  10. Self-consistent-field calculations of proteinlike incorporations in polyelectrolyte complex micelles

    NARCIS (Netherlands)

    Lindhoud, S.; Cohen Stuart, M.A.; Norde, W.; Leermakers, F.A.M.

    2009-01-01

    Self-consistent field theory is applied to model the structure and stability of polyelectrolyte complex micelles with incorporated protein (molten globule) molecules in the core. The electrostatic interactions that drive the micelle formation are mimicked by nearest-neighbor interactions using

  11. Conservation laws and self-consistent sources for a super-CKdV equation hierarchy

    International Nuclear Information System (INIS)

    Li Li

    2011-01-01

    From the super-matrix Lie algebras, we consider a super-extension of the CKdV equation hierarchy in the present Letter, and propose the super-CKdV hierarchy with self-consistent sources. Furthermore, we establish the infinitely many conservation laws for the integrable super-CKdV hierarchy.

  12. Integrating the Toda Lattice with Self-Consistent Source via Inverse Scattering Method

    International Nuclear Information System (INIS)

    Urazboev, Gayrat

    2012-01-01

    In this work, there is shown that the solutions of Toda lattice with self-consistent source can be found by the inverse scattering method for the discrete Sturm-Liuville operator. For the considered problem the one-soliton solution is obtained.

  13. Self-consistent approximation for muffin-tin models of random substitutional alloys with environmental disorder

    International Nuclear Information System (INIS)

    Kaplan, T.; Gray, L.J.

    1984-01-01

    The self-consistent approximation of Kaplan, Leath, Gray, and Diehl is applied to models for substitutional random alloys with muffin-tin potentials. The particular advantage of this approximation is that, in addition to including cluster scattering, the muffin-tin potentials in the alloy can depend on the occupation of the surrounding sites (i.e., environmental disorder is included)

  14. Nonstatic, self-consistent πN t matrix in nuclear matter

    International Nuclear Information System (INIS)

    Van Orden, J.W.

    1984-01-01

    In a recent paper, a calculation of the self-consistent πN t matrix in nuclear matter was presented. In this calculation the driving term of the self-consistent equation was chosen to be a static approximation to the free πN t matrix. In the present work, the earlier calculation is extended by using a nonstatic, fully-off-shell free πN t matrix as a starting point. Right-hand pole and cut contributions to the P-wave πN amplitudes are derived using a Low expansion and include effects due to recoil of the interacting πN system as well as the transformation from the πN c.m. frame to the nuclear rest frame. The self-consistent t-matrix equation is rewritten as two integral equations which modify the pole and cut contributions to the t matrix separately. The self-consistent πN t matrix is calculated in nuclear matter and a nonlocal optical potential is constructed from it. The resonant contribution to the optical potential is found to be broadened by 20% to 50% depending on pion momentum and is shifted upward in energy by approximately 10 MeV in comparison to the first-order optical potential. Modifications to the nucleon pole contribution are found to be negligible

  15. The accuracy of the time-dependent self-consistent-field approximation for inelastic collisions

    DEFF Research Database (Denmark)

    Henriksen, Niels Engholm; Billing, Gert D.; Hansen, Flemming Yssing

    1992-01-01

    We study the accuracy of the time-dependent self-consistent-field approximation for collinear inelastic collisions between an atom and a diatomic molecule. Individual state-to-state transition probabilities, total energy transfer. and the global description of the wavefunction is considered...

  16. A new self-consistent model for thermodynamics of binary solutions

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Shan, Y. V.; Fischer, F. D.

    2015-01-01

    Roč. 108, NOV (2015), s. 27-30 ISSN 1359-6462 R&D Projects: GA ČR(CZ) GA14-24252S Institutional support: RVO:68081723 Keywords : Thermodynamics * Analytical methods * CALPHAD * Phase diagram * Self-consistent model Subject RIV: BJ - Thermodynamics Impact factor: 3.305, year: 2015

  17. Spontaneous symmetry breaking and self-consistent equations for the free-energy

    International Nuclear Information System (INIS)

    Lovesey, S.W.

    1980-03-01

    A variational procedure for the free-energy is used to derive self-consistent equations that allow for spontaneous symmetry breaking. For an N-component phi 4 -model the equations are identical to those obtained by summing all loops to order 1/N. (author)

  18. Persistence length of wormlike micelles composed of ionic surfactants: self-consistent-field predictions

    NARCIS (Netherlands)

    Lauw, Y.; Leermakers, F.A.M.; Cohen Stuart, M.A.

    2007-01-01

    The persistence length of a wormlike micelle composed of ionic surfactants CnEmXk in an aqueous solvent is predicted by means of the self-consistent-field theory where CnEm is the conventional nonionic surfactant and X-k is an additional sequence of k weakly charged (pH-dependent) segments. By

  19. Screening effects in a polyelectrolyte brush: self-consistent-field theory

    NARCIS (Netherlands)

    Zhulina, E.B.; Klein Wolterink, J.; Borisov, O.V.

    2000-01-01

    We have developed an analytical self-consistent-field (SCF) theory describing conformations of weakly charged polyelectrolyte chains tethered to the solid-liquid interface and immersed in a solution of low molecular weight salt. Depending on the density of grafting of the polyelectrolytes to the

  20. Pressure variation of the valence band width in Ge: A self-consistent GW study

    DEFF Research Database (Denmark)

    Modak, Paritosh; Svane, Axel; Christensen, Niels Egede

    2009-01-01

    . In the present work we report results of quasiparticle self-consistent GW  (QSGW) band calculations for diamond- as well as β-tin-type Ge under pressure. For both phases we find that the band width increases with pressure. For β-tin Ge this agrees with experiment and density-functional theory, but for diamond Ge...

  1. Structure of disordered alloys - II: self-consistent CCPA calculations for III-V semiconducting alloys

    International Nuclear Information System (INIS)

    Mookerjee, A.; Chaudhry, V.

    1980-09-01

    Using the chemical pseudopotential approach of Anderson and Bullett we have generated from first principles pseudo-Hamiltonians for heteropolar alloys. The one-electron density of states has been generated for Gasub(x)Insub(1-x)As using a self-consistent cluster CPA introduced earlier by one of us. Off-diagonal disorder has also been incorporated. (author)

  2. Self-consistent calculation of steady-state creep and growth in textured zirconium

    International Nuclear Information System (INIS)

    Tome, C.N.; So, C.B.; Woo, C.H.

    1993-01-01

    Irradiation creep and growth in zirconium alloys result in anisotropic dimensional changes relative to the crystallographic axis in each individual grain. Several methods have been attempted to model such dimensional changes, taking into account the development of intergranular stresses. In this paper, we compare the predictions of several such models, namely the upper-bound, the lower-bound, the isotropic K* self-consistent (analytical) and the fully self-consistent (numerical) models. For given single-crystal creep compliances and growth factors, the polycrystal compliances predicted by the upper- and lower-bound models are unreliable. The predictions of the two self-consistent approaches are usually similar. The analytical isotropic K* approach is simple to implement and can be used to estimate the creep and growth rates of the polycrystal in many cases. The numerical fully self-consistent approach should be used when an accurate prediction of polycrystal creep is required, particularly for the important case of a closed-end internally pressurized tube. In most cases, the variations in grain shape introduce only minor corrections to the behaviour of polycrystalline materials. (author)

  3. Self-consistent field theory of protein adsorption in a non-Gaussian polyelectrolyte brush

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Leermakers, F.A.M.; Stuart, M.A.C.

    2006-01-01

    To describe adsorption of globular protein molecules in a polyelectrolyte brush we use the strong-stretching approximation of the Edwards self-consistent field equation, combined with corrections for a non-Gaussian brush. To describe chemical potentials in this mixture of (globular) species of

  4. Bicontinuous Phases in Diblock Copolymer/Homopolymer Blends: Simulation and Self-Consistent Field Theory

    KAUST Repository

    Martínez-Veracoechea, Francisco J.; Escobedo, Fernando A.

    2009-01-01

    A combination of particle-based simulations and self-consistent field theory (SCFT) is used to study the stabilization of multiple ordered bicontinuous phases in blends of a diblock copolymer (DBC) and a homopolymer. The double-diamond phase (DD

  5. Renormalization of self-consistent Schwinger-Dyson equations at finite temperature

    International Nuclear Information System (INIS)

    Hees, H. van; Knoll, J.

    2002-01-01

    We show that Dyson resummation schemes based on Baym's Φ-derivable approximations can be renormalized with counter term structures solely defined on the vacuum level. First applications to the self-consistent solution of the sunset self-energy in φ 4 -theory are presented. (orig.)

  6. Self-consistency condition and high-density virial theorem in relativistic many-particle systems

    International Nuclear Information System (INIS)

    Kalman, G.; Canuto, V.; Datta, B.

    1976-01-01

    In order for the thermodynamic and kinetic definitions of the chemical potential and the pressure to lead to identical results a nontrivial self-consistency criterion has to be satisfied. This, in turn, leads to a virial-like theorem in the high-density limit

  7. Covariant density functional theory for decay of deformed proton emitters: A self-consistent approach

    Directory of Open Access Journals (Sweden)

    L.S. Ferreira

    2016-02-01

    Full Text Available Proton radioactivity from deformed nuclei is described for the first time by a self-consistent calculation based on covariant relativistic density functionals derived from meson exchange and point coupling models. The calculation provides an important new test to these interactions at the limits of stability, since the mixing of different angular momenta in the single particle wave functions is probed.

  8. Conservation laws and self-consistent sources for a super-CKdV equation hierarchy

    Energy Technology Data Exchange (ETDEWEB)

    Li Li, E-mail: li07099@163.co [College of Maths and Systematic Science, Shenyang Normal University, Shenyang 110034 (China)

    2011-03-14

    From the super-matrix Lie algebras, we consider a super-extension of the CKdV equation hierarchy in the present Letter, and propose the super-CKdV hierarchy with self-consistent sources. Furthermore, we establish the infinitely many conservation laws for the integrable super-CKdV hierarchy.

  9. Self-consistency constraints on turbulent magnetic transport and relaxation in collisionless plasma

    International Nuclear Information System (INIS)

    Terry, P.W.; Diamond, P.H.; Hahm, T.S.

    1985-10-01

    Novel constraints on collisionless relaxation and transport in drift-Alfven turbulence are reported. These constraints arise due to the consideration of mode coupling and incoherent fluctuations and the proper application of self-consistency conditions. The result that electrostatic fluctuations alone regulate transport in drift-Alfven turbulence follows directly. Quasilinear transport predictions are discussed in light of these constraints

  10. Programming 16-Bit PIC Microcontrollers in C Learning to Fly the PIC 24

    CERN Document Server

    Di Jasio, Lucio

    2011-01-01

    New in the second edition: * MPLAB X support and MPLAB C for the PIC24F v3 and later libraries * I2C™ interface * 100% assembly free solutions * Improved video, PAL/NTSC * Improved audio, RIFF files decoding * PIC24F GA1, GA2, GB1 and GB2 support   Most readers will associate Microchip's name with the ubiquitous 8-bit PIC microcontrollers but it is the new 16-bit PIC24F family that is truly stealing the scene. Orders of magnitude increases of performance, memory size and the rich peripheral set make programming these devices in C a must. This new guide by Microchip insid

  11. Rise time of proton cut-off energy in 2D and 3D PIC simulations

    Science.gov (United States)

    Babaei, J.; Gizzi, L. A.; Londrillo, P.; Mirzanejad, S.; Rovelli, T.; Sinigardi, S.; Turchetti, G.

    2017-04-01

    The Target Normal Sheath Acceleration regime for proton acceleration by laser pulses is experimentally consolidated and fairly well understood. However, uncertainties remain in the analysis of particle-in-cell simulation results. The energy spectrum is exponential with a cut-off, but the maximum energy depends on the simulation time, following different laws in two and three dimensional (2D, 3D) PIC simulations so that the determination of an asymptotic value has some arbitrariness. We propose two empirical laws for the rise time of the cut-off energy in 2D and 3D PIC simulations, suggested by a model in which the proton acceleration is due to a surface charge distribution on the target rear side. The kinetic energy of the protons that we obtain follows two distinct laws, which appear to be nicely satisfied by PIC simulations, for a model target given by a uniform foil plus a contaminant layer that is hydrogen-rich. The laws depend on two parameters: the scaling time, at which the energy starts to rise, and the asymptotic cut-off energy. The values of the cut-off energy, obtained by fitting 2D and 3D simulations for the same target and laser pulse configuration, are comparable. This suggests that parametric scans can be performed with 2D simulations since 3D ones are computationally very expensive, delegating their role only to a correspondence check. In this paper, the simulations are carried out with the PIC code ALaDyn by changing the target thickness L and the incidence angle α, with a fixed a0 = 3. A monotonic dependence, on L for normal incidence and on α for fixed L, is found, as in the experimental results for high temporal contrast pulses.

  12. Particle-in-Cell Laser-Plasma Simulation on Xeon Phi Coprocessors

    OpenAIRE

    Surmin, I. A.; Bastrakov, S. I.; Efimenko, E. S.; Gonoskov, A. A.; Korzhimanov, A. V.; Meyerov, I. B.

    2015-01-01

    This paper concerns development of a high-performance implementation of the Particle-in-Cell method for plasma simulation on Intel Xeon Phi coprocessors. We discuss suitability of the method for Xeon Phi architecture and present our experience of porting and optimization of the existing parallel Particle-in-Cell code PICADOR. Direct porting with no code modification gives performance on Xeon Phi close to 8-core CPU on a benchmark problem with 50 particles per cell. We demonstrate step-by-step...

  13. Multi-dimensional PIC-simulations of parametric instabilities for shock-ignition conditions

    Directory of Open Access Journals (Sweden)

    Riconda C.

    2013-11-01

    Full Text Available Laser-plasma interaction is investigated for conditions relevant for the shock-ignition (SI scheme of inertial confinement fusion using two-dimensional particle-in-cell (PIC simulations of an intense laser beam propagating in a hot, large-scale, non-uniform plasma. The temporal evolution and interdependence of Raman- (SRS, and Brillouin- (SBS, side/backscattering as well as Two-Plasmon-Decay (TPD are studied. TPD is developing in concomitance with SRS creating a broad spectrum of plasma waves near the quarter-critical density. They are rapidly saturated due to plasma cavitation within a few picoseconds. The hot electron spectrum created by SRS and TPD is relatively soft, limited to energies below one hundred keV.

  14. Self-consistent beam halo studies ampersand halo diagnostic development in a continuous linear focusing channel

    International Nuclear Information System (INIS)

    Jameson, R.A.

    1994-01-01

    Beam halos are formed via self-consistent motion of the beam particles. Interactions of single particles with time-varying density distributions of other particles are a major source of halo. Aspects of these interactions are studied for an initially equilibrium distribution in a radial, linear, continuous focusing system. When there is a mismatch, it is shown that in the self-consistent system, there is a threshold in space-charge and mismatch, above which a halo is formed that extends to ∼1.5 times the initial maximum mismatch radius. Tools are sought for characterizing the halo dynamics. Testing the particles against the width of the mismatch driving resonance is useful for finding a conservative estimate of the threshold. The exit, entering and transition times, and the time evolution of the halo, are also explored using this technique. Extension to higher dimensions is briefly discussed

  15. Self-consistent perturbation expansion for Bose-Einstein condensates satisfying Goldstone's theorem and conservation laws

    International Nuclear Information System (INIS)

    Kita, Takafumi

    2009-01-01

    Quantum-field-theoretic descriptions of interacting condensed bosons have suffered from the lack of self-consistent approximation schemes satisfying Goldstone's theorem and dynamical conservation laws simultaneously. We present a procedure to construct such approximations systematically by using either an exact relation for the interaction energy or the Hugenholtz-Pines relation to express the thermodynamic potential in a Luttinger-Ward form. Inspection of the self-consistent perturbation expansion up to the third order with respect to the interaction shows that the two relations yield a unique identical result at each order, reproducing the conserving-gapless mean-field theory [T. Kita, J. Phys. Soc. Jpn. 74, 1891 (2005)] as the lowest-order approximation. The uniqueness implies that the series becomes exact when infinite terms are retained. We also derive useful expressions for the entropy and superfluid density in terms of Green's function and a set of real-time dynamical equations to describe thermalization of the condensate.

  16. Macroscopic self-consistent model for external-reflection near-field microscopy

    International Nuclear Information System (INIS)

    Berntsen, S.; Bozhevolnaya, E.; Bozhevolnyi, S.

    1993-01-01

    The self-consistent macroscopic approach based on the Maxwell equations in two-dimensional geometry is developed to describe tip-surface interaction in external-reflection near-field microscopy. The problem is reduced to a single one-dimensional integral equation in terms of the Fourier components of the field at the plane of the sample surface. This equation is extended to take into account a pointlike scatterer placed on the sample surface. The power of light propagating toward the detector as the fiber mode is expressed by using the self-consistent field at the tip surface. Numerical results for trapezium-shaped tips are presented. The authors show that the sharper tip and the more confined fiber mode result in better resolution of the near-field microscope. Moreover, it is found that the tip-surface distance should not be too small so that better resolution is ensured. 14 refs., 10 figs

  17. Self-consistent theory of hadron-nucleus scattering. Application to pion physics

    International Nuclear Information System (INIS)

    Johnson, M.B.

    1980-01-01

    The requirement of using self-consistent amplitudes to evaluate microscopically the scattering of strongly interacting particles from nuclei is developed. Application of the idea to a simple model of pion-nucleus scattering is made. Numerical results indicate that the expansion of the optical potential converges when evaluated in terms of fully self-consistent quantities. A comparison of the results to a recent determination of the spreading interaction in the phenomenological isobar-hole model shows that the theory accounts for the sign and magnitude of the real and imaginary part of the spreading interaction with no adjusted parameters. The self-consistnt theory has a strong density dependence, and the consequences of this for pion-nucleus scattering are discussed. 18 figures, 1 table

  18. Relativistic four-component multiconfigurational self-consistent-field theory for molecules

    DEFF Research Database (Denmark)

    Jensen, Hans Jørgen Aa; Dyall, Kenneth G.; Saue, Trond

    1996-01-01

    A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses on the differe......A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses...... the memory used by the largest nonrelativistic calculation in the equivalent basis, due to the complex arithmetic. The feasibility of the calculations is then determined more by the disk space for storage of integrals and N-particle expansion vectors....

  19. Self-consistent model calculations of the ordered S-matrix and the cylinder correction

    International Nuclear Information System (INIS)

    Millan, J.

    1977-11-01

    The multiperipheral ordered bootstrap of Rosenzweig and Veneziano is studied by using dual triple Regge couplings exhibiting the required threshold behavior. In the interval -0.5 less than or equal to t less than or equal to 0.8 GeV 2 self-consistent reggeon couplings and propagators are obtained for values of Regge slopes and intercepts consistent with the physical values for the leading natural-parity Regge trajectories. Cylinder effects on planar pole positions and couplings are calculated. By use of an unsymmetrical planar π--rho reggeon loop model, self-consistent solutions are obtained for the unnatural-parity mesons in the interval -0.5 less than or equal to t less than or equal to 0.6 GeV 2 . The effects of other Regge poles being neglected, the model gives a value of the π--eta splitting consistent with experiment. 24 figures, 1 table, 25 references

  20. Self-consistent theory of finite Fermi systems and radii of nuclei

    International Nuclear Information System (INIS)

    Saperstein, E. E.; Tolokonnikov, S. V.

    2011-01-01

    Present-day self-consistent approaches in nuclear theory were analyzed from the point of view of describing distributions of nuclear densities. The generalized method of the energy density functional due to Fayans and his coauthors (this is the most successful version of the self-consistent theory of finite Fermi systems) was the first among the approaches under comparison. The second was the most successful version of the Skyrme-Hartree-Fock method with the HFB-17 functional due to Goriely and his coauthors. Charge radii of spherical nuclei were analyzed in detail. Several isotopic chains of deformed nuclei were also considered. Charge-density distributions ρ ch (r) were calculated for several spherical nuclei. They were compared with model-independent data extracted from an analysis of elastic electron scattering on nuclei.

  1. Communication: A difference density picture for the self-consistent field ansatz

    Energy Technology Data Exchange (ETDEWEB)

    Parrish, Robert M.; Liu, Fang; Martínez, Todd J., E-mail: toddjmartinez@gmail.com [Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305 (United States); SLAC National Accelerator Laboratory, Menlo Park, California 94025 (United States)

    2016-04-07

    We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this “difference self-consistent field (dSCF)” picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TERACHEM SCF implementation.

  2. Communication: A difference density picture for the self-consistent field ansatz

    International Nuclear Information System (INIS)

    Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

    2016-01-01

    We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this “difference self-consistent field (dSCF)” picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TERACHEM SCF implementation.

  3. Communication: A difference density picture for the self-consistent field ansatz

    Science.gov (United States)

    Parrish, Robert M.; Liu, Fang; Martínez, Todd J.

    2016-04-01

    We formulate self-consistent field (SCF) theory in terms of an interaction picture where the working variable is the difference density matrix between the true system and a corresponding superposition of atomic densities. As the difference density matrix directly represents the electronic deformations inherent in chemical bonding, this "difference self-consistent field (dSCF)" picture provides a number of significant conceptual and computational advantages. We show that this allows for a stable and efficient dSCF iterative procedure with wholly single-precision Coulomb and exchange matrix builds. We also show that the dSCF iterative procedure can be performed with aggressive screening of the pair space. These approximations are tested and found to be accurate for systems with up to 1860 atoms and >10 000 basis functions, providing for immediate overall speedups of up to 70% in the heavily optimized TeraChem SCF implementation.

  4. Gate-controlled current and inelastic electron tunneling spectrum of benzene: a self-consistent study.

    Science.gov (United States)

    Liang, Y Y; Chen, H; Mizuseki, H; Kawazoe, Y

    2011-04-14

    We use density functional theory based nonequilibrium Green's function to self-consistently study the current through the 1,4-benzenedithiol (BDT). The elastic and inelastic tunneling properties through this Au-BDT-Au molecular junction are simulated, respectively. For the elastic tunneling case, it is found that the current through the tilted molecule can be modulated effectively by the external gate field, which is perpendicular to the phenyl ring. The gate voltage amplification comes from the modulation of the interaction between the electrodes and the molecules in the junctions. For the inelastic case, the electron tunneling scattered by the molecular vibrational modes is considered within the self-consistent Born approximation scheme, and the inelastic electron tunneling spectrum is calculated.

  5. Self-consistent field theory based molecular dynamics with linear system-size scaling

    Energy Technology Data Exchange (ETDEWEB)

    Richters, Dorothee [Institute of Mathematics and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 9, D-55128 Mainz (Germany); Kühne, Thomas D., E-mail: kuehne@uni-mainz.de [Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz (Germany); Technical and Macromolecular Chemistry, University of Paderborn, Warburger Str. 100, D-33098 Paderborn (Germany)

    2014-04-07

    We present an improved field-theoretic approach to the grand-canonical potential suitable for linear scaling molecular dynamics simulations using forces from self-consistent electronic structure calculations. It is based on an exact decomposition of the grand canonical potential for independent fermions and does neither rely on the ability to localize the orbitals nor that the Hamilton operator is well-conditioned. Hence, this scheme enables highly accurate all-electron linear scaling calculations even for metallic systems. The inherent energy drift of Born-Oppenheimer molecular dynamics simulations, arising from an incomplete convergence of the self-consistent field cycle, is circumvented by means of a properly modified Langevin equation. The predictive power of the present approach is illustrated using the example of liquid methane under extreme conditions.

  6. Self-consistent simulation studies of periodically focused intense charged-particle beams

    International Nuclear Information System (INIS)

    Chen, C.; Jameson, R.A.

    1995-01-01

    A self-consistent two-dimensional model is used to investigate intense charged-particle beam propagation through a periodic solenoidal focusing channel, particularly in the regime in which there is a mismatch between the beam and the focusing channel. The present self-consistent studies confirm that mismatched beams exhibit nonlinear resonances and chaotic behavior in the envelope evolution, as predicted by an earlier envelope analysis [C. Chen and R. C. Davidson, Phys. Rev. Lett. 72, 2195 (1994)]. Transient effects due to emittance growth are studied, and halo formation is investigated. The halo size is estimated. The halo characteristics for a periodic focusing channel are found to be qualitatively the same as those for a uniform focusing channel. A threshold condition is obtained numerically for halo formation in mismatched beams in a uniform focusing channel, which indicates that relative envelope mismatch must be kept well below 20% to prevent space-charge-dominated beams from developing halos

  7. Self-consistent hole motion and spin excitations in a quantum antiferromagnet

    International Nuclear Information System (INIS)

    Su, Z.B.; Yu, L.; Li, Y.M.; Lai, W.Y.

    1989-12-01

    A new quantum Bogoliubov-de Gennes (BdeG) formalism is developed to study the self-consistent motion of holes and spin excitations in a quantum antiferromagnet within the generalized t-J model. On the one hand, the effects of local distortion of spin configurations and the renormalization of the hole motion due to virtual excitations of the distorted spin background are treated on an equal footing to obtain the hole wave function and its spectrum, as well as the effective mass for a propagating hole. On the other hand, the change of the spin excitation spectrum and the spin correlations due to the presence of dynamical holes are studied within the same adiabatic approximation. The stability of the hole states with respect to such changes justifies the self-consistency of the proposed formalism. (author). 25 refs, 6 figs, 1 tab

  8. Self-consistent quasi-particle RPA for the description of superfluid Fermi systems

    CERN Document Server

    Rahbi, A; Chanfray, G; Schuck, P

    2002-01-01

    Self-Consistent Quasi-Particle RPA (SCQRPA) is for the first time applied to a more level pairing case. Various filling situation and values for the coupling constant are considered. Very encouraging results in comparison with the exact solution of the model are obtaining. The nature of the low lying mode in SCQRPA is identified. The strong reduction of the number fluctuation in SCQRPA vs BCS is pointed out. The transition from superfluidity to the normal fluid case is carefully investigated.

  9. Self-consistent electric field effect on electron transport of ECH plasmas

    International Nuclear Information System (INIS)

    Chan, V.S.; Murakami, S.

    1999-02-01

    An algorithm is proposed which treats the ECH generated potential in a self-consistent way, by extending the Monte-Carlo Fokker-Planck method used by Murakami [S. Murakami et al., Proc. 17th IAEA Fusion Energy Conference, Yokohama, 1998 (International Atomic Energy Agency, Vienna, in press), paper CN-69/TH2/1]. The additional physics is expected to influence the transport of both thermal and suprathermal electrons in a helical toroidal system. (author)

  10. Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport

    OpenAIRE

    Estève , D. ,; Sarazin , Y.; Garbet , X.; Grandgirard , V.; Breton , S. ,; Donnel , P. ,; Asahi , Y. ,; Bourdelle , C.; Dif-Pradalier , G; Ehrlacher , C.; Emeriau , C.; Ghendrih , Ph; Gillot , C.; Latu , G.; Passeron , C.

    2018-01-01

    International audience; Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code [V. Grandgirard et al., Comp. Phys. Commun. 207, 35 (2016)]. A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime likely relevant for tungsten, the standard expression of the neoclassical impurity flux is shown t...

  11. Self-consistent electronic structure of a model stage-1 graphite acceptor intercalate

    International Nuclear Information System (INIS)

    Campagnoli, G.; Tosatti, E.

    1981-04-01

    A simple but self-consistent LCAO scheme is used to study the π-electronic structure of an idealized stage-1 ordered graphite acceptor intercalate, modeled approximately on C 8 AsF 5 . The resulting non-uniform charge population within the carbon plane, band structure, optical and energy loss properties are discussed and compared with available spectroscopic evidence. The calculated total energy is used to estimate migration energy barriers, and the intercalate vibration mode frequency. (author)

  12. Calculating beta decay in the deformed self-consistent quasiparticle random phase approximation

    Energy Technology Data Exchange (ETDEWEB)

    Engel, Jonathan, E-mail: engelj@physics.unc.edu [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255 (United States); Mustonen, M. T., E-mail: mika.mustonen@yale.edu [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255 (United States); Center for Theoretical Physics, Sloane Physics Laboratory, Yale University, New Haven, CT 06052 (United States)

    2016-06-21

    We discuss a recent global calculation of beta-decay rates in the self-consistent Skyrme quasiparticle random phase approximation (QRPA), with axially symmetric nuclear deformation treated explicitly. The calculation makes makes use of the finite-amplitude method, first proposed by Nakatsukasa and collaborators, to reduce computation time. The results are comparable in quality to those of several other global QRPA calculations. The QRPA may have reached the limit of its accuracy.

  13. Link between self-consistent pressure profiles and electron internal transport barriers in tokamaks

    Energy Technology Data Exchange (ETDEWEB)

    Razumova, K A [Nuclear Fusion Institute, RRC ' Kurchatov Institute' , 123182 Moscow (Russian Federation); Andreev, V F [Nuclear Fusion Institute, RRC ' Kurchatov Institute' , 123182 Moscow (Russian Federation); Donne, A J H [FOM-Institute for Plasma Physics Rijnhuizen, Association EURATOM-FOM, partner in the Trilateral Euregio Cluster, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Hogeweij, G M D [FOM-Institute for Plasma Physics Rijnhuizen, Association EURATOM-FOM, partner in the Trilateral Euregio Cluster, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Lysenko, S E [Nuclear Fusion Institute, RRC ' Kurchatov Institute' , 123182 Moscow (Russian Federation); Shelukhin, D A [Nuclear Fusion Institute, RRC ' Kurchatov Institute' , 123182 Moscow (Russian Federation); Spakman, G W [FOM-Institute for Plasma Physics Rijnhuizen, Association EURATOM-FOM, partner in the Trilateral Euregio Cluster, PO Box 1207, 3430 BE Nieuwegein (Netherlands); Vershkov, V A [Nuclear Fusion Institute, RRC ' Kurchatov Institute' , 123182 Moscow (Russian Federation); Zhuravlev, V A [Nuclear Fusion Institute, RRC ' Kurchatov Institute' , 123182 Moscow (Russian Federation)

    2006-09-15

    Tokamak plasmas have a tendency to self-organization: the plasma pressure profiles obtained in different operational regimes and even in various tokamaks may be represented by a single typical curve, called the self-consistent pressure profile. About a decade ago local zones with enhanced confinement were discovered in tokamak plasmas. These zones are referred to as internal transport barriers (ITBs) and they can act on the electron and/or ion fluid. Here the pressure gradients can largely exceed the gradients dictated by profile consistency. So the existence of ITBs seems to be in contradiction with the self-consistent pressure profiles (this is also often referred to as profile resilience or profile stiffness). In this paper we will discuss the interplay between profile consistency and ITBs. A summary of the cumulative information obtained from T-10, RTP and TEXTOR is given, and a coherent explanation of the main features of the observed phenomena is suggested. Both phenomena, the self-consistent profile and ITB, are connected with the density of rational magnetic surfaces, where the turbulent cells are situated. The distance between these cells determines the level of their interaction, and therefore the level of the turbulent transport. This process regulates the plasma pressure profile. If the distance is wide, the turbulent flux may be diminished and the ITB may be formed. In regions with rarefied surfaces the steeper pressure gradients are possible without instantaneously inducing pressure driven instabilities, which force the profiles back to their self-consistent shapes. Also it can be expected that the ITB region is wider for lower dq/d{rho} (more rarefied surfaces)

  14. Self consistent MHD modeling of the solar wind from coronal holes with distinct geometries

    Science.gov (United States)

    Stewart, G. A.; Bravo, S.

    1995-01-01

    Utilizing an iterative scheme, a self-consistent axisymmetric MHD model for the solar wind has been developed. We use this model to evaluate the properties of the solar wind issuing from the open polar coronal hole regions of the Sun, during solar minimum. We explore the variation of solar wind parameters across the extent of the hole and we investigate how these variations are affected by the geometry of the hole and the strength of the field at the coronal base.

  15. Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport

    Science.gov (United States)

    Estève, D.; Sarazin, Y.; Garbet, X.; Grandgirard, V.; Breton, S.; Donnel, P.; Asahi, Y.; Bourdelle, C.; Dif-Pradalier, G.; Ehrlacher, C.; Emeriau, C.; Ghendrih, Ph.; Gillot, C.; Latu, G.; Passeron, C.

    2018-03-01

    Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code (Grandgirard et al 2016 Comput. Phys. Commun. 207 35). A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime that is probably relevant for tungsten, the standard expression for the neoclassical impurity flux is shown to be recovered from gyrokinetics with the employed collision operator. Purely neoclassical simulations of deuterium plasma with trace impurities of helium, carbon and tungsten lead to impurity diffusion coefficients, inward pinch velocities due to density peaking, and thermo-diffusion terms which quantitatively agree with neoclassical predictions and NEO simulations (Belli et al 2012 Plasma Phys. Control. Fusion 54 015015). The thermal screening factor appears to be less than predicted analytically in the Pfirsch-Schlüter regime, which can be detrimental to fusion performance. Finally, self-consistent nonlinear simulations have revealed that the tungsten impurity flux is not the sum of turbulent and neoclassical fluxes computed separately, as is usually assumed. The synergy partly results from the turbulence-driven in-out poloidal asymmetry of tungsten density. This result suggests the need for self-consistent simulations of impurity transport, i.e. including both turbulence and neoclassical physics, in view of quantitative predictions for ITER.

  16. Calculation of the self-consistent current distribution and coupling of an RF antenna array

    International Nuclear Information System (INIS)

    Ballico, M.; Puri, S.

    1993-10-01

    A self-consistent calculation of the antenna current distribution and fields in an axisymmetric cylindrical geometry for the ICRH antenna-plasma coupling problem is presented. Several features distinguish this calculation from other codes presently available. 1. Variational form: The formulation of the self consistent antenna current problem in a variational form allows good convergence and stability of the algorithm. 2. Multiple straps: Allows modelling of (a) the current distribution across the width of the strap (by dividing it up into sub straps) (b) side limiters and septum (c) antenna cross-coupling. 3. Analytic calculation of the antenna field and calculation of the antenna self-consistent current distribution, (given the surface impedance matrix) gives rapid calculation. 4. Framed for parallel computation on several different parallel architectures (as well as serial) gives a large speed improvement to the user. Results are presented for both Alfven wave heating and current drive antenna arrays, showing the optimal coupling to be achieved for toroidal mode numbers 8< n<10 for typical ASDEX upgrade plasmas. Simulations of the ASDEX upgrade antenna show the importance of the current distribution across the antenna and of image currents flowing in the side limiters, and an analysis of a proposed asymmetric ITER antenna is presented. (orig.)

  17. Self-consistent atmosphere modeling with cloud formation for low-mass stars and exoplanets

    Science.gov (United States)

    Juncher, Diana; Jørgensen, Uffe G.; Helling, Christiane

    2017-12-01

    Context. Low-mass stars and extrasolar planets have ultra-cool atmospheres where a rich chemistry occurs and clouds form. The increasing amount of spectroscopic observations for extrasolar planets requires self-consistent model atmosphere simulations to consistently include the formation processes that determine cloud formation and their feedback onto the atmosphere. Aims: Our aim is to complement the MARCS model atmosphere suit with simulations applicable to low-mass stars and exoplanets in preparation of E-ELT, JWST, PLATO and other upcoming facilities. Methods: The MARCS code calculates stellar atmosphere models, providing self-consistent solutions of the radiative transfer and the atmospheric structure and chemistry. We combine MARCS with a kinetic model that describes cloud formation in ultra-cool atmospheres (seed formation, growth/evaporation, gravitational settling, convective mixing, element depletion). Results: We present a small grid of self-consistently calculated atmosphere models for Teff = 2000-3000 K with solar initial abundances and log (g) = 4.5. Cloud formation in stellar and sub-stellar atmospheres appears for Teff day-night energy transport and no temperature inversion.

  18. Quasiparticle self-consistent GW method for the spectral properties of complex materials.

    Science.gov (United States)

    Bruneval, Fabien; Gatti, Matteo

    2014-01-01

    The GW approximation to the formally exact many-body perturbation theory has been applied successfully to materials for several decades. Since the practical calculations are extremely cumbersome, the GW self-energy is most commonly evaluated using a first-order perturbative approach: This is the so-called G 0 W 0 scheme. However, the G 0 W 0 approximation depends heavily on the mean-field theory that is employed as a basis for the perturbation theory. Recently, a procedure to reach a kind of self-consistency within the GW framework has been proposed. The quasiparticle self-consistent GW (QSGW) approximation retains some positive aspects of a self-consistent approach, but circumvents the intricacies of the complete GW theory, which is inconveniently based on a non-Hermitian and dynamical self-energy. This new scheme allows one to surmount most of the flaws of the usual G 0 W 0 at a moderate calculation cost and at a reasonable implementation burden. In particular, the issues of small band gap semiconductors, of large band gap insulators, and of some transition metal oxides are then cured. The QSGW method broadens the range of materials for which the spectral properties can be predicted with confidence.

  19. Two-particle irreducible effective actions versus resummation: Analytic properties and self-consistency

    Directory of Open Access Journals (Sweden)

    Michael Brown

    2015-11-01

    Full Text Available Approximations based on two-particle irreducible (2PI effective actions (also known as Φ-derivable, Cornwall–Jackiw–Tomboulis or Luttinger–Ward functionals depending on context have been widely used in condensed matter and non-equilibrium quantum/statistical field theory because this formalism gives a robust, self-consistent, non-perturbative and systematically improvable approach which avoids problems with secular time evolution. The strengths of 2PI approximations are often described in terms of a selective resummation of Feynman diagrams to infinite order. However, the Feynman diagram series is asymptotic and summation is at best a dangerous procedure. Here we show that, at least in the context of a toy model where exact results are available, the true strength of 2PI approximations derives from their self-consistency rather than any resummation. This self-consistency allows truncated 2PI approximations to capture the branch points of physical amplitudes where adjustments of coupling constants can trigger an instability of the vacuum. This, in effect, turns Dyson's argument for the failure of perturbation theory on its head. As a result we find that 2PI approximations perform better than Padé approximation and are competitive with Borel–Padé resummation. Finally, we introduce a hybrid 2PI–Padé method.

  20. Simulations of Tokamak Edge Turbulence Including Self-Consistent Zonal Flows

    Science.gov (United States)

    Cohen, Bruce; Umansky, Maxim

    2013-10-01

    Progress on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge is summarized in this mini-conference talk. A more detailed report on this work is presented in a poster at this conference. This work extends our previous work to include self-consistent zonal flows and their effects. The previous work addressed the simulation of L-mode tokamak edge turbulence using the turbulence code BOUT. The calculations used realistic single-null geometry and plasma parameters of the DIII-D tokamak and produced fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.

  1. Simulations of Turbulence in Tokamak Edge and Effects of Self-Consistent Zonal Flows

    Science.gov (United States)

    Cohen, Bruce; Umansky, Maxim

    2013-10-01

    Progress is reported on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge. This extends previous work to include self-consistent zonal flows and their effects. The previous work addressed simulation of L-mode tokamak edge turbulence using the turbulence code BOUT that solves Braginskii-based plasma fluid equations in tokamak edge domain. The calculations use realistic single-null geometry and plasma parameters of the DIII-D tokamak and produce fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.

  2. Exciton spectrum of surface-corrugated quantum wells: the adiabatic self-consistent approach

    International Nuclear Information System (INIS)

    Atenco A, N.; Perez R, F.; Makarov, N.M.

    2005-01-01

    A theory for calculating the relaxation frequency ν and the shift δ ω of exciton resonances in quantum wells with finite potential barriers and adiabatic surface disorder is developed. The adiabaticity implies that the correlation length R C for the well width fluctuations is much larger than the exciton radius a 0 (R C >> a 0 ). Our theory is based on the self-consistent Green's function method, and therefore takes into account the inherent action of the exciton scattering on itself. The self-consistent approach is shown to describe quantitatively the sharp exciton resonance. It also gives the qualitatively correct resonance picture for the transition to the classical limit, as well as within the domain of the classical limit itself. We present and analyze results for h h-exciton in a GaAs quantum well with Al 0.3 Ga 0.7 As barriers. It is established that the self-consistency and finite height of potential barriers significantly influence on the line-shape of exciton resonances, and make the values of ν and δ ω be quite realistic. In particular, the relaxation frequency ν for the ground-state resonance has a broad, almost symmetric maximum near the resonance frequency ω 0 , while the surface-induced resonance shift δ ω vanishes near ω 0 , and has different signs on the sides of the exciton resonance. (Author) 43 refs., 4 figs

  3. A portable approach for PIC on emerging architectures

    Science.gov (United States)

    Decyk, Viktor

    2016-03-01

    A portable approach for designing Particle-in-Cell (PIC) algorithms on emerging exascale computers, is based on the recognition that 3 distinct programming paradigms are needed. They are: low level vector (SIMD) processing, middle level shared memory parallel programing, and high level distributed memory programming. In addition, there is a memory hierarchy associated with each level. Such algorithms can be initially developed using vectorizing compilers, OpenMP, and MPI. This is the approach recommended by Intel for the Phi processor. These algorithms can then be translated and possibly specialized to other programming models and languages, as needed. For example, the vector processing and shared memory programming might be done with CUDA instead of vectorizing compilers and OpenMP, but generally the algorithm itself is not greatly changed. The UCLA PICKSC web site at http://www.idre.ucla.edu/ contains example open source skeleton codes (mini-apps) illustrating each of these three programming models, individually and in combination. Fortran2003 now supports abstract data types, and design patterns can be used to support a variety of implementations within the same code base. Fortran2003 also supports interoperability with C so that implementations in C languages are also easy to use. Finally, main codes can be translated into dynamic environments such as Python, while still taking advantage of high performing compiled languages. Parallel languages are still evolving with interesting developments in co-Array Fortran, UPC, and OpenACC, among others, and these can also be supported within the same software architecture. Work supported by NSF and DOE Grants.

  4. Solar radio emissions: 2D full PIC simulations

    Science.gov (United States)

    Pierre, H.; Sgattoni, A.; Briand, C.; Amiranoff, F.; Riconda, C.

    2016-12-01

    Solar radio emissions are electromagnetic waves observed at the local plasma frequency and/or at twice the plasma frequency. To describe their origin a multi-stage model has been proposed by Ginzburg & Zhelezniakov (1958) and further developed by several authors, which consider a succession of non-linear three-wave interaction processes. Electron beams accelerated by solar flares travel in the interplanetary plasma and provide the free energy for the development of plasma instabilities. The model describes how part of the free energy of these beams can be transformed in a succession of plasma waves and eventually into electromagnetic waves. Following the work of Thurgood & Tsiklauri (2015) we performed several 2D Particle In Cell simulations. The simulations follow the entire set of processes from the electron beam propagation in the background plasma to the generation of the electromagnetic waves in particular the 2ωp emission, including the excitation of the low frequency waves. As suggested by Thurgood & Tsiklauri (2015) it is possible to identify regimes where the radiation emission can be directly linked to the electron beams. Our attention was devoted to estimate the conversion efficiency from electron kinetic energy to the em energy, and the growth rate of the several processes which can be identified. We studied the emission angles of the 2ωpradiation and compared them with the theoretical predictions of Willes et. al. (1995). We also show the role played by some numerical parameters i.e. the size and shape of the simulation box. This work is the first step to prepare laser-plasma experiments. V. L. Ginzburg, V. V. Zhelezniakov On the Possible Mechanisms of Sporadic Solar Radio Emission (Radiation in an Isotropic Plasma) Soviet Astronomy, Vol. 2, p.653 (1958) J. O. Thurgood and D. Tsiklauri Self-consistent particle-in-cell simulations of funda- mental and harmonic plasma radio emission mechanisms. Astronomy & Astrophysics 584, A83 (2015). A. Willes, P

  5. Self-consistency of a heterogeneous continuum porous medium representation of a fractured medium

    International Nuclear Information System (INIS)

    Hoch, A.R.; Jackson, C.P.; Todman, S.

    1998-01-01

    For many of the rocks that are, or have been, under investigation as potential host rocks for a radioactive waste repository, groundwater flow is considered to take place predominantly through discontinuities such as fractures. Although models of networks of discrete features (DFN models) would be the most realistic models for such rocks, calculations on large length scales would not be computationally practicable. A possible approach would be to use heterogeneous continuum porous-medium (CPM) models in which each block has an effective permeability appropriate to represent the network of features within the block. In order to build confidence in this approach, it is necessary to demonstrate that the approach is self-consistent, in the sense that if the effective permeability on a large length scale is derived using the CPM model, the result is close to the value derived directly from the underlying network model. It is also desirable to demonstrate self-consistency for the use of stochastic heterogeneous CPM models that are built as follows. The correlation structure of the effective permeability on the scale of the blocks is inferred by analysis of the effective permeabilities obtained from the underlying DFN model. Then realizations of the effective permeability within the domain of interest are generated on the basis of the correlation structure, rather than being obtained directly from the underlying DFN model. A study of self-consistency is presented for two very different underlying DFN models: one based on the properties of the Borrowdale Volcanic Group at Sellafield, and one based on the properties of the granite at Aespoe in Sweden. It is shown that, in both cases, the use of heterogeneous CPM models based directly on the DFN model is self-consistent, provided that care is taken in the evaluation of the effective permeability for the DFN models. It is also shown that the use of stochastic heterogeneous CPM models based on the correlation structure of the

  6. Self-consistent generalized Langevin-equation theory for liquids of nonspherically interacting particles

    Science.gov (United States)

    Elizondo-Aguilera, L. F.; Zubieta Rico, P. F.; Ruiz-Estrada, H.; Alarcón-Waess, O.

    2014-11-01

    A self-consistent generalized Langevin-equation theory is proposed to describe the self- and collective dynamics of a liquid of linear Brownian particles. The equations of motion for the spherical harmonics projections of the collective and self-intermediate-scattering functions, Fl m ,l m(k ,t ) and Flm ,l m S(k ,t ) , are derived as a contraction of the description involving the stochastic equations of the corresponding tensorial one-particle density nl m(k ,t ) and the translational (α =T ) and rotational (α =R ) current densities jlm α(k ,t ) . Similar to the spherical case, these dynamic equations require as an external input the equilibrium structural properties of the system contained in the projections of the static structure factor, denoted by Sl m ,l m(k ) . Complementing these exact equations with simple (Vineyard-like) approximate relations for the collective and the self-memory functions we propose a closed self-consistent set of equations for the dynamic properties involved. In the long-time asymptotic limit, these equations become the so-called bifurcation equations, whose solutions (the nonergodicity parameters) can be written, extending the spherical case, in terms of one translational and one orientational scalar dynamic order parameter, γT and γR, which characterize the possible dynamical arrest transitions of the system. As a concrete illustrative application of this theory we determine the dynamic arrest diagram of the dipolar hard-sphere fluid. In qualitative agreement with mode coupling theory, the present self-consistent equations also predict three different regions in the state space spanned by the macroscopic control parameters η (volume fraction) and T* (scaled temperature): a region of fully ergodic states, a region of mixed states, in which the translational degrees of freedom become arrested while the orientational degrees of freedom remain ergodic, and a region of fully nonergodic states.

  7. Justifying quasiparticle self-consistent schemes via gradient optimization in Baym-Kadanoff theory.

    Science.gov (United States)

    Ismail-Beigi, Sohrab

    2017-09-27

    The question of which non-interacting Green's function 'best' describes an interacting many-body electronic system is both of fundamental interest as well as of practical importance in describing electronic properties of materials in a realistic manner. Here, we study this question within the framework of Baym-Kadanoff theory, an approach where one locates the stationary point of a total energy functional of the one-particle Green's function in order to find the total ground-state energy as well as all one-particle properties such as the density matrix, chemical potential, or the quasiparticle energy spectrum and quasiparticle wave functions. For the case of the Klein functional, our basic finding is that minimizing the length of the gradient of the total energy functional over non-interacting Green's functions yields a set of self-consistent equations for quasiparticles that is identical to those of the quasiparticle self-consistent GW (QSGW) (van Schilfgaarde et al 2006 Phys. Rev. Lett. 96 226402-4) approach, thereby providing an a priori justification for such an approach to electronic structure calculations. In fact, this result is general, applies to any self-energy operator, and is not restricted to any particular approximation, e.g., the GW approximation for the self-energy. The approach also shows that, when working in the basis of quasiparticle states, solving the diagonal part of the self-consistent Dyson equation is of primary importance while the off-diagonals are of secondary importance, a common observation in the electronic structure literature of self-energy calculations. Finally, numerical tests and analytical arguments show that when the Dyson equation produces multiple quasiparticle solutions corresponding to a single non-interacting state, minimizing the length of the gradient translates into choosing the solution with largest quasiparticle weight.

  8. Self-consistent green function calculations for isospin asymmetric nuclear matter

    International Nuclear Information System (INIS)

    Mansour, Hesham; Gad, Khalaf; Hassaneen, Khaled S.A.

    2010-01-01

    The one-body potentials for protons and neutrons are obtained from the self-consistent Green-function calculations of asymmetric nuclear matter, in particular their dependence on the degree of proton/neutron asymmetry. Results of the binding energy per nucleon as a function of the density and asymmetry parameter are presented for the self-consistent Green function approach using the CD-Bonn potential. For the sake of comparison, the same calculations are performed using the Brueckner-Hartree-Fock approximation. The contribution of the hole-hole terms leads to a repulsive contribution to the energy per nucleon which increases with the nuclear density. The incompressibility for asymmetric nuclear matter has been also investigated in the framework of the self-consistent Green-function approach using the CD-Bonn potential. The behavior of the incompressibility is studied for different values of the nuclear density and the neutron excess parameter. The nuclear symmetry potential at fixed nuclear density is also calculated and its value decreases with increasing the nucleon energy. In particular, the nuclear symmetry potential at saturation density changes from positive to negative values at nucleon kinetic energy of about 200 MeV. For the sake of comparison, the same calculations are performed using the Brueckner-Hartree-Fock approximation. The proton/neutron effective mass splitting in neutron-rich matter has been studied. The predicted isospin splitting of the proton/neutron effective mass splitting in neutron-rich matter is such that m n * ≥ m p * . (author)

  9. Self-consistent generalized Langevin-equation theory for liquids of nonspherically interacting particles.

    Science.gov (United States)

    Elizondo-Aguilera, L F; Zubieta Rico, P F; Ruiz-Estrada, H; Alarcón-Waess, O

    2014-11-01

    A self-consistent generalized Langevin-equation theory is proposed to describe the self- and collective dynamics of a liquid of linear Brownian particles. The equations of motion for the spherical harmonics projections of the collective and self-intermediate-scattering functions, F_{lm,lm}(k,t) and F_{lm,lm}^{S}(k,t), are derived as a contraction of the description involving the stochastic equations of the corresponding tensorial one-particle density n_{lm}(k,t) and the translational (α=T) and rotational (α=R) current densities j_{lm}^{α}(k,t). Similar to the spherical case, these dynamic equations require as an external input the equilibrium structural properties of the system contained in the projections of the static structure factor, denoted by S_{lm,lm}(k). Complementing these exact equations with simple (Vineyard-like) approximate relations for the collective and the self-memory functions we propose a closed self-consistent set of equations for the dynamic properties involved. In the long-time asymptotic limit, these equations become the so-called bifurcation equations, whose solutions (the nonergodicity parameters) can be written, extending the spherical case, in terms of one translational and one orientational scalar dynamic order parameter, γ_{T} and γ_{R}, which characterize the possible dynamical arrest transitions of the system. As a concrete illustrative application of this theory we determine the dynamic arrest diagram of the dipolar hard-sphere fluid. In qualitative agreement with mode coupling theory, the present self-consistent equations also predict three different regions in the state space spanned by the macroscopic control parameters η (volume fraction) and T* (scaled temperature): a region of fully ergodic states, a region of mixed states, in which the translational degrees of freedom become arrested while the orientational degrees of freedom remain ergodic, and a region of fully nonergodic states.

  10. Exciton spectrum of surface-corrugated quantum wells: the adiabatic self-consistent approach

    Energy Technology Data Exchange (ETDEWEB)

    Atenco A, N.; Perez R, F. [lnstituto de Fisica, Universidad Autonoma de Puebla, A.P. J-48, 72570 Puebla (Mexico); Makarov, N.M. [lnstituto de Ciencias, Universidad Autonoma de Puebla, Priv. 17 Norte No 3417, Col. San Miguel Hueyotlipan, 72050 Puebla (Mexico)

    2005-07-01

    A theory for calculating the relaxation frequency {nu} and the shift {delta} {omega} of exciton resonances in quantum wells with finite potential barriers and adiabatic surface disorder is developed. The adiabaticity implies that the correlation length R{sub C} for the well width fluctuations is much larger than the exciton radius a{sub 0} (R{sub C} >> a{sub 0}). Our theory is based on the self-consistent Green's function method, and therefore takes into account the inherent action of the exciton scattering on itself. The self-consistent approach is shown to describe quantitatively the sharp exciton resonance. It also gives the qualitatively correct resonance picture for the transition to the classical limit, as well as within the domain of the classical limit itself. We present and analyze results for h h-exciton in a GaAs quantum well with Al{sub 0.3} Ga{sub 0.7}As barriers. It is established that the self-consistency and finite height of potential barriers significantly influence on the line-shape of exciton resonances, and make the values of {nu} and {delta} {omega} be quite realistic. In particular, the relaxation frequency {nu} for the ground-state resonance has a broad, almost symmetric maximum near the resonance frequency {omega}{sub 0}, while the surface-induced resonance shift {delta} {omega} vanishes near {omega}{sub 0}, and has different signs on the sides of the exciton resonance. (Author) 43 refs., 4 figs.

  11. THE IBEX RIBBON AND THE PICKUP ION RING STABILITY IN THE OUTER HELIOSHEATH. II. MONTE-CARLO AND PARTICLE-IN-CELL MODEL RESULTS

    Energy Technology Data Exchange (ETDEWEB)

    Niemiec, J. [Institute of Nuclear Physics PAN, Radzikowskiego 152 31-342 Krakow (Poland); Florinski, V.; Heerikhuisen, J. [Department of Space Science and Center for Space Plasma and Aeronomic Research, University of Alabama in Huntsville, Huntsville, AL 35899 (United States); Nishikawa, K.-I., E-mail: jacek.niemiec@ifj.edu.pl, E-mail: vaf0001@uah.edu, E-mail: jh0004@uah.edu, E-mail: ken-ichi.nishikawa-1@nasa.gov [Department of Physics, University of Alabama in Huntsville, Huntsville, AL 35899 (United States)

    2016-08-01

    The nearly circular ribbon of energetic neutral atom (ENA) emission discovered by NASA’s Interplanetary Boundary EXplorer satellite ( IBEX ), is most commonly attributed to the effect of charge exchange of secondary pickup ions (PUIs) gyrating about the magnetic field in the outer heliosheath (OHS) and the interstellar space beyond. The first paper in the series (Paper I) presented a theoretical analysis of the pickup process in the OHS and hybrid-kinetic simulations, revealing that the kinetic properties of freshly injected proton rings depend sensitively on the details of their velocity distribution. It was demonstrated that only rings that are not too narrow (parallel thermal spread above a few km s{sup −1}) and not too wide (parallel temperature smaller than the core plasma temperature) could remain stable for a period of time long enough to generate ribbon ENAs. This paper investigates the role of electron dynamics and the extra spatial degree of freedom in the ring ion scattering process with the help of two-dimensional full particle-in-cell (PIC) kinetic simulations. A good agreement is observed between ring evolution under unstable conditions in hybrid and PIC models, and the dominant modes are found to propagate parallel to the magnetic field. We also present more realistic ribbon PUI distributions generated using Monte Carlo simulations of atomic hydrogen in the global heliosphere and examine the effect of both the cold ring-like and the hot “halo” PUIs produced from heliosheath ENAs on the ring stability. It is shown that the second PUI population enhances the fluctuation growth rate, leading to faster isotropization of the solar-wind-derived ring ions.

  12. Analysis of instability growth and collisionless relaxation in thermionic converters using 1-D PIC simulations

    International Nuclear Information System (INIS)

    Kreh, B.B.

    1994-12-01

    This work investigates the role that the beam-plasma instability may play in a thermionic converter. The traditional assumption of collisionally dominated relaxation is questioned, and the beam-plasma instability is proposed as a possible dominant relaxation mechanism. Theory is developed to describe the beam-plasma instability in the cold-plasma approximation, and the theory is tested with two common Particle-in-Cell (PIC) simulation codes. The theory is first confirmed using an unbounded plasma PIC simulation employing periodic boundary conditions, ES1. The theoretically predicted growth rates are on the order of the plasma frequencies, and ES1 simulations verify these predictions within the order of 1%. For typical conditions encountered in thermionic converters, the resulting growth period is on the order of 7 x 10 -11 seconds. The bounded plasma simulation PDP1 was used to evaluate the influence of finite geometry and the electrode boundaries. For this bounded plasma, a two-stream interaction was supported and resulting in nearly complete thermalization in approximately 5 x 10 -10 seconds. Since the electron-electron collision rate of 10 9 Hz and the electron atom collision rate of 10 7 Hz are significantly slower than the rate of development of these instabilities, the instabilities appear to be an important relaxation mechanism

  13. A parallel code named NEPTUNE for 3D fully electromagnetic and pic simulations

    International Nuclear Information System (INIS)

    Dong Ye; Yang Wenyuan; Chen Jun; Zhao Qiang; Xia Fang; Ma Yan; Xiao Li; Sun Huifang; Chen Hong; Zhou Haijing; Mao Zeyao; Dong Zhiwei

    2010-01-01

    A parallel code named NEPTUNE for 3D fully electromagnetic and particle-in-cell (PIC) simulations is introduced, which could run on the Linux system with hundreds to thousand CPUs. NEPTUNE is suitable to simulate entire 3D HPM devices; many HPM devices are simulated and designed by using it. In NEPTUNE code, the electromagnetic fields are updated by using the finite-difference in time domain (FDTD) method of solving Maxwell equations and the particles are moved by using Buneman-Boris advance method of solving relativistic Newton-Lorentz equation. Electromagnetic fields and particles are coupled by using liner weighing interpolation PIC method, and the electric filed components are corrected by using Boris method of solve Poisson equation in order to ensure charge-conservation. NEPTUNE code could construct many complicated geometric structures, such as arbitrary axial-symmetric structures, plane transforming structures, slow-wave-structures, coupling holes, foils, and so on. The boundary conditions used in NEPTUNE code are introduced in brief, including perfectly electric conductor boundary, external wave boundary, and particle boundary. Finally, some typical HPM devices are simulated and test by using NEPTUNE code, including MILO, RBWO, VCO, and RKA. The simulation results are with correct and credible physical images, and the parallel efficiencies are also given. (authors)

  14. RPA method based on the self-consistent cranking model for 168Er and 158Dy

    International Nuclear Information System (INIS)

    Kvasil, J.; Cwiok, S.; Chariev, M.M.; Choriev, B.

    1983-01-01

    The low-lying nuclear states in 168 Er and 158 Dy are analysed within the random phase approximation (RPA) method based on the self-consistent cranking model (SCCM). The moment of inertia, the value of chemical potential, and the strength constant k 1 have been obtained from the symmetry condition. The pairing strength constants Gsub(tau) have been determined from the experimental values of neutron and proton pairing energies for nonrotating nuclei. A quite good agreement with experimental energies of states with positive parity was obtained without introducing the two-phonon vibrational states

  15. Linear Scaling Solution of the Time-Dependent Self-Consistent-Field Equations

    Directory of Open Access Journals (Sweden)

    Matt Challacombe

    2014-03-01

    Full Text Available A new approach to solving the Time-Dependent Self-Consistent-Field equations is developed based on the double quotient formulation of Tsiper 2001 (J. Phys. B. Dual channel, quasi-independent non-linear optimization of these quotients is found to yield convergence rates approaching those of the best case (single channel Tamm-Dancoff approximation. This formulation is variational with respect to matrix truncation, admitting linear scaling solution of the matrix-eigenvalue problem, which is demonstrated for bulk excitons in the polyphenylene vinylene oligomer and the (4,3 carbon nanotube segment.

  16. Convergence of quasiparticle self-consistent GW calculations of transition metal monoxides

    OpenAIRE

    Das, Suvadip; Coulter, John E.; Manousakis, Efstratios

    2014-01-01

    Finding an accurate ab initio approach for calculating the electronic properties of transition metal oxides has been a problem for several decades. In this paper, we investigate the electronic structure of the transition metal monoxides MnO, CoO, and NiO in their undistorted rock-salt structure within a fully iterated quasiparticle self-consistent GW (QPscGW) scheme. We study the convergence of the QPscGW method, i.e., how the quasiparticle energy eigenvalues and wavefunctions converge as a f...

  17. Self-consistent study of nuclei far from stability with the energy density method

    CERN Document Server

    Tondeur, F

    1981-01-01

    The self-consistent energy density method has been shown to give good results with a small number of parameters for the calculation of nuclear masses, radii, deformations, neutron skins, shell and sub- shell effects. It is here used to study the properties of nuclei far from stability, like densities, shell structure, even-odd mass differences, single-particle potentials and nuclear deformations. A few possible consequences of the results for astrophysical problems are briefly considered. The predictions of the model in the super- heavy region are summarised. (34 refs).

  18. Pathological behavior of the open-shell restricted self-consistent-field equations

    International Nuclear Information System (INIS)

    Moscardo, F.; Alvarez-Collado, J.R.

    1979-01-01

    The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations

  19. Self-consistent description of dipole states taking into account the one-particle continuum

    International Nuclear Information System (INIS)

    Gareev, F.A.; Ershov, S.N.; Pyatov, N.I.; Fayans, S.A.; Salamov, D.I.

    1981-01-01

    A self-consistent translationally invariant model with separable effective interactions is used to describe the dipole excitations of spherical nuclei. The equations for the effective field are solved in the coordinate representation, taking the one-particle continuum into account exactly. This makes it possible to obtain the escape widths of excitations with energy above the nucleon-emission threshold. We calculate the energies, B(E1), strength functions, escape widths, and transition densities of the dipole states for a number of light and heavy nuclei

  20. Self-consistency in the phonon space of the particle-phonon coupling model

    Science.gov (United States)

    Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.

    2018-04-01

    In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.

  1. Alfven-wave particle interaction in finite-dimensional self-consistent field model

    International Nuclear Information System (INIS)

    Padhye, N.; Horton, W.

    1998-01-01

    A low-dimensional Hamiltonian model is derived for the acceleration of ions in finite amplitude Alfven waves in a finite pressure plasma sheet. The reduced low-dimensional wave-particle Hamiltonian is useful for describing the reaction of the accelerated ions on the wave amplitudes and phases through the self-consistent fields within the envelope approximation. As an example, the authors show for a single Alfven wave in the central plasma sheet of the Earth's geotail, modeled by the linear pinch geometry called the Harris sheet, the time variation of the wave amplitude during the acceleration of fast protons

  2. General variational many-body theory with complete self-consistency for trapped bosonic systems

    International Nuclear Information System (INIS)

    Streltsov, Alexej I.; Alon, Ofir E.; Cederbaum, Lorenz S.

    2006-01-01

    In this work we develop a complete variational many-body theory for a system of N trapped bosons interacting via a general two-body potential. The many-body solution of this system is expanded over orthogonal many-body basis functions (configurations). In this theory both the many-body basis functions and the respective expansion coefficients are treated as variational parameters. The optimal variational parameters are obtained self-consistently by solving a coupled system of noneigenvalue--generally integro-differential--equations to get the one-particle functions and by diagonalizing the secular matrix problem to find the expansion coefficients. We call this theory multiconfigurational Hartree theory for bosons or MCHB(M), where M specifies explicitly the number of one-particle functions used to construct the configurations. General rules for evaluating the matrix elements of one- and two-particle operators are derived and applied to construct the secular Hamiltonian matrix. We discuss properties of the derived equations. We show that in the limiting cases of one configuration the theory boils down to the well-known Gross-Pitaevskii and the recently developed multi-orbital mean fields. The invariance of the complete solution with respect to unitary transformations of the one-particle functions is utilized to find the solution with the minimal number of contributing configurations. In the second part of our work we implement and apply the developed theory. It is demonstrated that for any practical computation where the configurational space is restricted, the description of trapped bosonic systems strongly depends on the choice of the many-body basis set used, i.e., self-consistency is of great relevance. As illustrative examples we consider bosonic systems trapped in one- and two-dimensional symmetric and asymmetric double well potentials. We demonstrate that self-consistency has great impact on the predicted physical properties of the ground and excited states

  3. Self-consistent particle distribution of a bunched beam in RF field

    CERN Document Server

    Batygin, Y K

    2002-01-01

    An analytical solution for the self-consistent particle equilibrium distribution in an RF field with transverse focusing is found. The solution is attained in the approximation of a high brightness beam. The distribution function in phase space is determined as a stationary function of the energy integral. Equipartitioning of the beam distribution between degrees of freedom follows directly from the choice of the stationary distribution function. Analytical expressions for r-z equilibrium beam profile and maximum beam current in RF field are obtained.

  4. Resonance shifts and spill-out effects in self-consistent hydrodynamic nanoplasmonics

    DEFF Research Database (Denmark)

    Toscano, Giuseppe; Straubel, Jakob; Kwiatkowski, Alexander

    2015-01-01

    The standard hydrodynamic Drude model with hard-wall boundary conditions can give accurate quantitative predictions for the optical response of noble-metal nanoparticles. However, it is less accurate for other metallic nanosystems, where surface effects due to electron density spill-out in free...... space cannot be neglected. Here we address the fundamental question whether the description of surface effects in plasmonics necessarily requires a fully quantum-mechanical ab initio approach. We present a self-consistent hydrodynamic model (SC-HDM), where both the ground state and the excited state...

  5. A simple model of the plasma deflagration gun including self-consistent electric and magnetic fields

    International Nuclear Information System (INIS)

    Enloe, C.L.; Reinovsky, R.E.

    1985-01-01

    At the Air Force Weapons Laboratory, interest has continued for some time in energetic plasma injectors. A possible scheme for such a device is the plasma deflagration gun. When the question arose whether it would be possible to scale a deflagration gun to the multi-megajoule energy level, it became clear that a scaling law which described the fun as a circuit element and allowed one to confidently scale gun parameters would be required. The authors sought to develop a scaling law which self-consistently described the current, magnetic field, and velocity profiles in the gun. They based this scaling law on plasma parameters exclusively, abandoning the fluid approach

  6. Interstellar turbulence model : A self-consistent coupling of plasma and neutral fluids

    International Nuclear Information System (INIS)

    Shaikh, Dastgeer; Zank, Gary P.; Pogorelov, Nikolai

    2006-01-01

    We present results of a preliminary investigation of interstellar turbulence based on a self-consistent two-dimensional fluid simulation model. Our model describes a partially ionized magnetofluid interstellar medium (ISM) that couples a neutral hydrogen fluid to a plasma through charge exchange interactions and assumes that the ISM turbulent correlation scales are much bigger than the shock characteristic length-scales, but smaller than the charge exchange mean free path length-scales. The shocks have no influence on the ISM turbulent fluctuations. We find that nonlinear interactions in coupled plasma-neutral ISM turbulence are influenced substantially by charge exchange processes

  7. Effects of frequency mismatch on a self-consistent arbitrary amplitude cyclotron resonance laser accelerator

    International Nuclear Information System (INIS)

    Pakter, R.; Schneider, R.S.; Rizzato, F.B.

    1993-01-01

    The cyclotron-resonance laser accelerator (CRLA), where a coherent electromagnetic wave may transfer a large amount of energy to a beam of electrons gravitating in a guide magnetic field is studied. This large amount of transferred energy takes place due to the autoresonance mechanism where, under some ideal conditions, an initial wave-particle synchronism is self-sustained throughout the accelerating period. An improved analysis of the mentioned self-consistent wave-particle interaction, taking into account a possible frequency mismatch between wave and particles. It is also shown how the frequency mismatch can compensate the dispersion effects. (L.C.J.A.)

  8. A self-consistent nodal method in response matrix formalism for the multigroup diffusion equations

    International Nuclear Information System (INIS)

    Malambu, E.M.; Mund, E.H.

    1996-01-01

    We develop a nodal method for the multigroup diffusion equations, based on the transverse integration procedure (TIP). The efficiency of the method rests upon the convergence properties of a high-order multidimensional nodal expansion and upon numerical implementation aspects. The discrete 1D equations are cast in response matrix formalism. The derivation of the transverse leakage moments is self-consistent i.e. does not require additional assumptions. An outstanding feature of the method lies in the linear spatial shape of the local transverse leakage for the first-order scheme. The method is described in the two-dimensional case. The method is validated on some classical benchmark problems. (author)

  9. Self-consistent Maxwell-Bloch model of quantum-dot photonic-crystal-cavity lasers

    DEFF Research Database (Denmark)

    Cartar, William; Mørk, Jesper; Hughes, Stephen

    2017-01-01

    -level emitters are solved numerically. Phenomenological pure dephasing and incoherent pumping is added to the optical Bloch equations to allow for a dynamical lasing regime, but the cavity-mediated radiative dynamics and gain coupling of each QD dipole (artificial atom) is contained self-consistently within......-mode to multimode lasing is also observed, depending on the spectral peak frequency of the QD ensemble. Using a statistical modal analysis of the average decay rates, we also show how the average radiative decay rate decreases as a function of cavity size. In addition, we investigate the role of structural disorder...

  10. Pathological behavior of the open-shell restricted self-consistent-field equations

    Energy Technology Data Exchange (ETDEWEB)

    Moscardo, F.; Alvarez-Collado, J.R.

    1979-02-01

    The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations.

  11. Self-consistent electronic structure of the contracted tungsten (001) surface

    International Nuclear Information System (INIS)

    Posternak, M.; Krakauer, H.; Freeman, A.J.

    1982-01-01

    Self-consistent linearized-augmented-plane-wave energy-band studies using the warped muffin-tin approximation for a seven-layer W(001) single slab with the surface-layer separation contracted by 6% of the bulk interlayer spacing are reported. Surface electronic structure, local densities of states, generalized susceptibility for the surface, work function, and core-level shifts are found to have insignificant differences with corresponding results for the unrelaxed surface. Several differences in surface states between theory and recent angle-resolved photoemission experiments are discussed in the light of new proposed models of the actual unreconstructed surface structure at high temperatures

  12. Homogenization of Periodic Masonry Using Self-Consistent Scheme and Finite Element Method

    Science.gov (United States)

    Kumar, Nitin; Lambadi, Harish; Pandey, Manoj; Rajagopal, Amirtham

    2016-01-01

    Masonry is a heterogeneous anisotropic continuum, made up of the brick and mortar arranged in a periodic manner. Obtaining the effective elastic stiffness of the masonry structures has been a challenging task. In this study, the homogenization theory for periodic media is implemented in a very generic manner to derive the anisotropic global behavior of the masonry, through rigorous application of the homogenization theory in one step and through a full three-dimensional behavior. We have considered the periodic Eshelby self-consistent method and the finite element method. Two representative unit cells that represent the microstructure of the masonry wall exactly are considered for calibration and numerical application of the theory.

  13. Self consistent and covariant propagation of pions, nucleon and isobar resonances in cold nuclear matter

    International Nuclear Information System (INIS)

    Korpa, C.L.; Lutz, M.F.M.; Technische Univ. Darmstadt

    2003-06-01

    We evaluate the in-medium spectral functions for pions, nucleon and isobar resonances in a self consistent and covariant manner. The calculations are based on a recently developed formulation which leads to predictions in terms of the pion-nucleon scattering phase shifts and a set of Migdal parameters describing important short range correlation effects. We do not observe any significant softening of pion modes if we insist on reasonable isobar resonance properties but predict a considerable broadening of the N(1440) and N(1520) resonances in nuclear matter. (orig.)

  14. Analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field method

    Directory of Open Access Journals (Sweden)

    N.Yoshida

    2007-09-01

    Full Text Available An analytical free energy gradient for the molecular Ornstein-Zernike self-consistent-field (MOZ-SCF method is presented. MOZ-SCF theory is one of the theories to considering the solvent effects on the solute electronic structure in solution. [Yoshida N. et al., J. Chem. Phys., 2000, 113, 4974] Molecular geometries of water, formaldehyde, acetonitrile and acetone in water are optimized by analytical energy gradient formula. The results are compared with those from the polarizable continuum model (PCM, the reference interaction site model (RISM-SCF and the three dimensional (3D RISM-SCF.

  15. Self-consistent static analysis of using nested-well plasma traps for achieving antihydrogen recombination

    International Nuclear Information System (INIS)

    Dolliver, D. D.; Ordonez, C. A.

    1999-01-01

    The use of a Malmberg-Penning type trap with nested electric potential wells to confine overlapping antiproton and positron plasmas for the purpose of producing low temperature antihydrogen is studied. Two approaches for confining antiproton and positron plasmas with a region of overlap are considered. In one approach the two components have a large temperature difference. In the other, one of the components is in a nonequilibrium 'antishielding' plasma state. A finite differences algorithm is used to solve Poisson's equation based on a simultaneous overrelaxation numerical approach. Self-consistent numerical results for required trap potentials and possible particle density profiles are presented

  16. Self-consistent removal of sawtooth oscillations from transient plasma data by generalized singular value decomposition

    International Nuclear Information System (INIS)

    Erba, M.; Mattioli, M.; Segui, J.L.

    1997-10-01

    This paper addresses the problem of removing sawtooth oscillations from multichannel plasma data in a self-consistent way, thereby preserving transients that have a different physical origin. The technique which does this is called the Generalized Singular Value Decomposition (GSVD), and its properties are discussed. Using the GSVD, we analyze spatially resolved electron temperature measurements from the Tore Supra tokamak, made in transient regimes that are perturbed either by the laser blow-off injection of impurities or by pellet injection. Non-local transport issues are briefly discussed. (author)

  17. Self-consistent field theory of polymer-ionic molecule complexation

    OpenAIRE

    Nakamura, Issei; Shi, An-Chang

    2010-01-01

    A self-consistent field theory is developed for polymers that are capable of binding small ionic molecules (adsorbates). The polymer-ionic molecule association is described by Ising-like binding variables, C_(i)^(a)(kΔ)(= 0 or 1), whose average determines the number of adsorbed molecules, nBI. Polymer gelation can occur through polymer-ionic molecule complexation in our model. For polymer-polymer cross-links through the ionic molecules, three types of solutions for nBI are obtained, depending...

  18. Self-consistent assessment of Englert-Schwinger model on atomic properties

    Science.gov (United States)

    Lehtomäki, Jouko; Lopez-Acevedo, Olga

    2017-12-01

    Our manuscript investigates a self-consistent solution of the statistical atom model proposed by Berthold-Georg Englert and Julian Schwinger (the ES model) and benchmarks it against atomic Kohn-Sham and two orbital-free models of the Thomas-Fermi-Dirac (TFD)-λvW family. Results show that the ES model generally offers the same accuracy as the well-known TFD-1/5 vW model; however, the ES model corrects the failure in the Pauli potential near-nucleus region. We also point to the inability of describing low-Z atoms as the foremost concern in improving the present model.

  19. Multiconfigurational self-consistent field calculations of nuclear shieldings using London atomic orbitals

    DEFF Research Database (Denmark)

    Ruud, Kenneth; Helgaker, Trygve; Kobayashi, Rika

    1994-01-01

    to corresponding individual gauges for localized orbitals (IGLO) results. The London results show better basis set convergence than IGLO, especially for heavier atoms. It is shown that the choice of active space is crucial for determination of accurate nuclear shielding constants.......Nuclear shielding calculations are presented for multiconfigurational self-consistent field wave functions using London atomic orbitals (gauge invariant atomic orbitals). Calculations of nuclear shieldings for eight molecules (H2O, H2S, CH4, N2, CO, HF, F2, and SO2) are presented and compared...

  20. Self-consistent treatment of spin and magnetization dynamic effect in spin transfer switching

    International Nuclear Information System (INIS)

    Guo Jie; Tan, Seng Ghee; Jalil, Mansoor Bin Abdul; Koh, Dax Enshan; Han, Guchang; Meng, Hao

    2011-01-01

    The effect of itinerant spin moment (m) dynamic in spin transfer switching has been ignored in most previous theoretical studies of the magnetization (M) dynamics. Thus in this paper, we proposed a more refined micromagnetic model of spin transfer switching that takes into account in a self-consistent manner of the coupled m and M dynamics. The numerical results obtained from this model further shed insight on the switching profiles of m and M, both of which show particular sensitivity to parameters such as the anisotropy field, the spin torque field, and the initial deviation between m and M.

  1. A self-consistent model for thermodynamics of multicomponent solid solutions

    International Nuclear Information System (INIS)

    Svoboda, J.; Fischer, F.D.

    2016-01-01

    The self-consistent concept recently published in this journal (108, 27–30, 2015) is extended from a binary to a multicomponent system. This is possible by exploiting the trapping concept as basis for including the interaction of atoms in terms of pairs (e.g. A–A, B–B, C–C…) and couples (e.g. A–B, B–C, …) in a multicomponent system with A as solvent and B, C, … as dilute solutes. The model results in a formulation of Gibbs-energy, which can be minimized. Examples show that the couple and pair formation may influence the equilibrium Gibbs energy markedly.

  2. The concept of coupling impedance in the self-consistent plasma wake field excitation

    International Nuclear Information System (INIS)

    Fedele, R.; Akhter, T.; De Nicola, S.; Migliorati, M.; Marocchino, A.; Massimo, F.; Palumbo, L.

    2016-01-01

    Within the framework of the Vlasov–Maxwell system of equations, we describe the self-consistent interaction of a relativistic charged-particle beam with the surroundings while propagating through a plasma-based acceleration device. This is done in terms of the concept of coupling (longitudinal) impedance in full analogy with the conventional accelerators. It is shown that also here the coupling impedance is a very useful tool for the Nyquist-type stability analysis. Examples of specific physical situations are finally illustrated.

  3. Self-consistent nonlinearly polarizable shell-model dynamics for ferroelectric materials

    International Nuclear Information System (INIS)

    Mkam Tchouobiap, S.E.; Kofane, T.C.; Ngabireng, C.M.

    2002-11-01

    We investigate the dynamical properties of the polarizable shellmodel with a symmetric double Morse-type electron-ion interaction in one ionic species. A variational calculation based on the Self-Consistent Einstein Model (SCEM) shows that a theoretical ferroelectric (FE) transition temperature can be derive which demonstrates the presence of a first-order phase transition for the potassium selenate (K 2 SeO 4 ) crystal around Tc 91.5 K. Comparison of the model calculation with the experimental critical temperature yields satisfactory agreement. (author)

  4. Non-Born-Oppenheimer trajectories with self-consistent decay of mixing

    International Nuclear Information System (INIS)

    Zhu Chaoyuan; Jasper, Ahren W.; Truhlar, Donald G.

    2004-01-01

    A semiclassical trajectory method, called the self-consistent decay of mixing (SCDM) method, is presented for the treatment of electronically nonadiabatic dynamics. The SCDM method is a modification of the semiclassical Ehrenfest (SE) method (also called the semiclassical time-dependent self-consistent-field method) that solves the problem of unphysical mixed final states by including decay-of-mixing terms in the equations for the evolution of the electronic state populations. These terms generate a force, called the decoherent force (or dephasing force), that drives the electronic component of each trajectory toward a pure state. Results for several mixed quantum-classical methods, in particular the SCDM, SE, and natural-decay-of-mixing methods and several trajectory surface hopping methods, are compared to the results of accurate quantum mechanical calculations for 12 cases involving five different fully dimensional triatomic model systems. The SCDM method is found to be the most accurate of the methods tested. The method should be useful for the simulation of photochemical reactions

  5. Self-Consistent Monte Carlo Study of the Coulomb Interaction under Nano-Scale Device Structures

    Science.gov (United States)

    Sano, Nobuyuki

    2011-03-01

    It has been pointed that the Coulomb interaction between the electrons is expected to be of crucial importance to predict reliable device characteristics. In particular, the device performance is greatly degraded due to the plasmon excitation represented by dynamical potential fluctuations in high-doped source and drain regions by the channel electrons. We employ the self-consistent 3D Monte Carlo (MC) simulations, which could reproduce both the correct mobility under various electron concentrations and the collective plasma waves, to study the physical impact of dynamical potential fluctuations on device performance under the Double-gate MOSFETs. The average force experienced by an electron due to the Coulomb interaction inside the device is evaluated by performing the self-consistent MC simulations and the fixed-potential MC simulations without the Coulomb interaction. Also, the band-tailing associated with the local potential fluctuations in high-doped source region is quantitatively evaluated and it is found that the band-tailing becomes strongly dependent of position in real space even inside the uniform source region. This work was partially supported by Grants-in-Aid for Scientific Research B (No. 2160160) from the Ministry of Education, Culture, Sports, Science and Technology in Japan.

  6. Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media.

    Science.gov (United States)

    Ma, Manman; Xu, Zhenli

    2014-12-28

    Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

  7. Self-consistent field model for strong electrostatic correlations and inhomogeneous dielectric media

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Manman, E-mail: mmm@sjtu.edu.cn; Xu, Zhenli, E-mail: xuzl@sjtu.edu.cn [Department of Mathematics, Institute of Natural Sciences, and MoE Key Laboratory of Scientific and Engineering Computing, Shanghai Jiao Tong University, Shanghai 200240 (China)

    2014-12-28

    Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these effects in the framework of the self-consistent field theory. The model incorporates a space- or field-dependent dielectric permittivity and an excluded ion-size effect for the correlation energy. This results in a self-energy modified Poisson-Nernst-Planck or Poisson-Boltzmann equation together with state equations for the self energy and the dielectric function. We show that the ionic size is of significant importance in predicting a finite self energy for an ion in an inhomogeneous medium. Asymptotic approximation is proposed for the solution of a generalized Debye-Hückel equation, which has been shown to capture the ionic correlation and dielectric self energy. Through simulating ionic distribution surrounding a macroion, the modified self-consistent field model is shown to agree with particle-based Monte Carlo simulations. Numerical results for symmetric and asymmetric electrolytes demonstrate that the model is able to predict the charge inversion at high correlation regime in the presence of multivalent interfacial ions which is beyond the mean-field theory and also show strong effect to double layer structure due to the space- or field-dependent dielectric permittivity.

  8. A self-consistency check for unitary propagation of Hawking quanta

    Science.gov (United States)

    Baker, Daniel; Kodwani, Darsh; Pen, Ue-Li; Yang, I.-Sheng

    2017-11-01

    The black hole information paradox presumes that quantum field theory in curved space-time can provide unitary propagation from a near-horizon mode to an asymptotic Hawking quantum. Instead of invoking conjectural quantum-gravity effects to modify such an assumption, we propose a self-consistency check. We establish an analogy to Feynman’s analysis of a double-slit experiment. Feynman showed that unitary propagation of the interfering particles, namely ignoring the entanglement with the double-slit, becomes an arbitrarily reliable assumption when the screen upon which the interference pattern is projected is infinitely far away. We argue for an analogous self-consistency check for quantum field theory in curved space-time. We apply it to the propagation of Hawking quanta and test whether ignoring the entanglement with the geometry also becomes arbitrarily reliable in the limit of a large black hole. We present curious results to suggest a negative answer, and we discuss how this loss of naive unitarity in QFT might be related to a solution of the paradox based on the soft-hair-memory effect.

  9. Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Xufen [CAS Key Laboratory for Research in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, 230026 (China); Wang, Yougang [Key Laboratory of Computational Astrophysics, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100012 (China); Feix, Martin [CNRS, UMR 7095 and UPMC, Institut d’Astrophysique de Paris, 98 bis Boulevard Arago, F-75014 Paris (France); Zhao, HongSheng, E-mail: xufenwu@ustc.edu.cn [School of Physics and Astronomy, University of St Andrews, North Haugh, Fife, KY16 9SS (United Kingdom)

    2017-08-01

    Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N -body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbits with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.

  10. Efficient 3D/1D self-consistent integral-equation analysis of ICRH antennae

    International Nuclear Information System (INIS)

    Maggiora, R.; Vecchi, G.; Lancellotti, V.; Kyrytsya, V.

    2004-01-01

    This work presents a comprehensive account of the theory and implementation of a method for the self-consistent numerical analysis of plasma-facing ion-cyclotron resonance heating (ICRH) antenna arrays. The method is based on the integral-equation formulation of the boundary-value problem, solved via a weighted-residual scheme. The antenna geometry (including Faraday shield bars and a recess box) is fairly general and three-dimensional (3D), and the plasma is in the one-dimensional (1D) 'slab' approximation; finite-Larmor radius effects, as well as plasma density and temperature gradients, are considered. Feeding via the voltages in the access coaxial lines is self consistently accounted throughout and the impedance or scattering matrix of the antenna array obtained therefrom. The problem is formulated in both the dual space (physical) and spectral (wavenumber) domains, which allows the extraction and simple handling of the terms that slow the convergence in the spectral domain usually employed. This paper includes validation tests of the developed code against measured data, both in vacuo and in the presence of plasma. An example of application to a complex geometry is also given. (author)

  11. An eigenvalue approach to quantum plasmonics based on a self-consistent hydrodynamics method.

    Science.gov (United States)

    Ding, Kun; Chan, C T

    2018-02-28

    Plasmonics has attracted much attention not only because it has useful properties such as strong field enhancement, but also because it reveals the quantum nature of matter. To handle quantum plasmonics effects, ab initio packages or empirical Feibelman d-parameters have been used to explore the quantum correction of plasmonic resonances. However, most of these methods are formulated within the quasi-static framework. The self-consistent hydrodynamics model offers a reliable approach to study quantum plasmonics because it can incorporate the quantum effect of the electron gas into classical electrodynamics in a consistent manner. Instead of the standard scattering method, we formulate the self-consistent hydrodynamics method as an eigenvalue problem to study quantum plasmonics with electrons and photons treated on the same footing. We find that the eigenvalue approach must involve a global operator, which originates from the energy functional of the electron gas. This manifests the intrinsic nonlocality of the response of quantum plasmonic resonances. Our model gives the analytical forms of quantum corrections to plasmonic modes, incorporating quantum electron spill-out effects and electrodynamical retardation. We apply our method to study the quantum surface plasmon polariton for a single flat interface.

  12. Self-consistent perturbed equilibrium with neoclassical toroidal torque in tokamaks

    International Nuclear Information System (INIS)

    Park, Jong-Kyu; Logan, Nikolas C.

    2017-01-01

    Toroidal torque is one of the most important consequences of non-axisymmetric fields in tokamaks. The well-known neoclassical toroidal viscosity (NTV) is due to the second-order toroidal force from anisotropic pressure tensor in the presence of these asymmetries. This work shows that the first-order toroidal force originating from the same anisotropic pressure tensor, despite having no flux surface average, can significantly modify the local perturbed force balance and thus must be included in perturbed equilibrium self-consistent with NTV. The force operator with an anisotropic pressure tensor is not self-adjoint when the NTV torque is finite and thus is solved directly for each component. This approach yields a modified, non-self-adjoint Euler-Lagrange equation that can be solved using a variety of common drift-kinetic models in generalized tokamak geometry. The resulting energy and torque integral provides a unique way to construct a torque response matrix, which contains all the information of self-consistent NTV torque profiles obtainable by applying non-axisymmetric fields to the plasma. This torque response matrix can then be used to systematically optimize non-axisymmetric field distributions for desired NTV profiles. Published by AIP Publishing.

  13. Self-consistent collective coordinate method for large amplitude collective motions

    International Nuclear Information System (INIS)

    Sakata, F.; Hashimoto, Y.; Marumori, T.; Une, T.

    1982-01-01

    A recent development of the self-consistent collective coordinate method is described. The self-consistent collective coordinate method was proposed on the basis of the fundamental principle called the invariance principle of the Schroedinger equation. If this is formulated within a framework of the time dependent Hartree Fock (TDHF) theory, a classical version of the theory is obtained. A quantum version of the theory is deduced by formulating it within a framework of the unitary transformation method with auxiliary bosons. In this report, the discussion is concentrated on a relation between the classical theory and the quantum theory, and an applicability of the classical theory. The aim of the classical theory is to extract a maximally decoupled collective subspace out of a huge dimensional 1p - 1h parameter space introduced by the TDHF theory. An intimate similarity between the classical theory and a full quantum boson expansion method (BEM) was clarified. Discussion was concentrated to a simple Lipkin model. Then a relation between the BEM and the unitary transformation method with auxiliary bosons was discussed. It became clear that the quantum version of the theory had a strong relation to the BEM, and that the BEM was nothing but a quantum analogue of the present classical theory. The present theory was compared with the full TDHF calculation by using a simple model. (Kato, T.)

  14. Self-consistent theory of hadron-nucleus scattering. Application to pion physics

    International Nuclear Information System (INIS)

    Johnson, M.B.

    1981-01-01

    The first part of this set of two seminars will consist of a review of several of the important accomplishments made in the last few years in the field of pion-nucleus physics. Next I discuss some questions raised by these accomplishments and show that for some very natural reasons the commonly employed theoretical methods cannot be applied to answer these questions. This situation leads to the idea of self-consistency, which is first explained in a general context. The remainder of the seminars are devoted to illustrating the idea within a simple multiple-scattering model for the case of pion scattering. An evaluation of the effectiveness of the self-consistent requirment to produce a solution to the model is made, and a few of the questions raised by recent accomplishments in the field of pion physics are addressed in the model. Finally, the results of the model calculation are compared to experimental data and implications of the results discussed. (orig./HSI)

  15. The self-consistent field model for Fermi systems with account of three-body interactions

    Directory of Open Access Journals (Sweden)

    Yu.M. Poluektov

    2015-12-01

    Full Text Available On the basis of a microscopic model of self-consistent field, the thermodynamics of the many-particle Fermi system at finite temperatures with account of three-body interactions is built and the quasiparticle equations of motion are obtained. It is shown that the delta-like three-body interaction gives no contribution into the self-consistent field, and the description of three-body forces requires their nonlocality to be taken into account. The spatially uniform system is considered in detail, and on the basis of the developed microscopic approach general formulas are derived for the fermion's effective mass and the system's equation of state with account of contribution from three-body forces. The effective mass and pressure are numerically calculated for the potential of "semi-transparent sphere" type at zero temperature. Expansions of the effective mass and pressure in powers of density are obtained. It is shown that, with account of only pair forces, the interaction of repulsive character reduces the quasiparticle effective mass relative to the mass of a free particle, and the attractive interaction raises the effective mass. The question of thermodynamic stability of the Fermi system is considered and the three-body repulsive interaction is shown to extend the region of stability of the system with the interparticle pair attraction. The quasiparticle energy spectrum is calculated with account of three-body forces.

  16. Effects of self-consistency in a Green's function description of saturation in nuclear matter

    International Nuclear Information System (INIS)

    Dewulf, Y.; Neck, D. van; Waroquier, M.

    2002-01-01

    The binding energy in nuclear matter is evaluated within the framework of self-consistent Green's function theory, using a realistic nucleon-nucleon interaction. The two-body dynamics is solved at the level of summing particle-particle and hole-hole ladders. We go beyond the on-shell approximation and use intermediary propagators with a discrete-pole structure. A three-pole approximation is used, which provides a good representation of the quasiparticle excitations, as well as reproducing the zeroth- and first-order energy-weighted moments in both the nucleon removal and addition domains of the spectral function. Results for the binding energy are practically independent of the details of the discretization scheme. The main effect of the increased self-consistency is to introduce an additional density dependence, which causes a shift towards lower densities and smaller binding energies, as compared to a (continuous choice) Brueckner calculation with the same interaction. Particle number conservation and the Hugenholz-Van Hove theorem are satisfied with reasonable accuracy

  17. A self-consistent mean field theory for diffusion in alloys

    International Nuclear Information System (INIS)

    Nastar, M.; Barbe, V.

    2007-01-01

    Starting from a microscopic model of the atomic transport via vacancies and interstitials in alloys, a self-consistent mean field (SCMF) kinetic theory yields the phenomenological coefficients L ij . In this theory, kinetic correlations are accounted for through a set of effective interactions within a non-equilibrium distribution function of the system. The introduction of a master equation describing the evolution with time of the distribution function and its moments leads to general self-consistent kinetic equations. The L ij of a face centered cubic alloy are calculated using the kinetic equations of Nastar (M. Nastar, Philos. Mag., 2005, 85, 3767, ref. 1) derived from a microscopic broken bond model of the vacancy jump frequency. A first approximation leads to an analytical expression of the L ij and a second approximation to a better agreement with the Monte Carlo simulations. A change of sign of the L ij is studied as a function of the microscopic parameters of the jump frequency. The L ij of a cubic centered alloy obtained for the complex diffusion mechanism of the dumbbell configuration of the interstitial are used to study the effect of an on-site rotation of the dumbbell on the transport. (authors)

  18. A pedestal temperature model with self-consistent calculation of safety factor and magnetic shear

    International Nuclear Information System (INIS)

    Onjun, T; Siriburanon, T; Onjun, O

    2008-01-01

    A pedestal model based on theory-motivated models for the pedestal width and the pedestal pressure gradient is developed for the temperature at the top of the H-mode pedestal. The pedestal width model based on magnetic shear and flow shear stabilization is used in this study, where the pedestal pressure gradient is assumed to be limited by first stability of infinite n ballooning mode instability. This pedestal model is implemented in the 1.5D BALDUR integrated predictive modeling code, where the safety factor and magnetic shear are solved self-consistently in both core and pedestal regions. With the self-consistently approach for calculating safety factor and magnetic shear, the effect of bootstrap current can be correctly included in the pedestal model. The pedestal model is used to provide the boundary conditions in the simulations and the Multi-mode core transport model is used to describe the core transport. This new integrated modeling procedure of the BALDUR code is used to predict the temperature and density profiles of 26 H-mode discharges. Simulations are carried out for 13 discharges in the Joint European Torus and 13 discharges in the DIII-D tokamak. The average root-mean-square deviation between experimental data and the predicted profiles of the temperature and the density, normalized by their central values, is found to be about 14%

  19. Bosons system with finite repulsive interaction: self-consistent field method

    International Nuclear Information System (INIS)

    Renatino, M.M.B.

    1983-01-01

    Some static properties of a boson system (T = zero degree Kelvin), under the action of a repulsive potential are studied. For the repulsive potential, a model was adopted consisting of a region where it is constant (r c ), and a decay as 1/r (r > r c ). The self-consistent field approximation used takes into account short range correlations through a local field corrections, which leads to an effective field. The static structure factor S(q-vector) and the effective potential ψ(q-vector) are obtained through a self-consistent calculation. The pair-correlation function g(r-vector) and the energy of the collective excitations E(q-vector) are also obtained, from the structure factor. The density of the system and the parameters of the repulsive potential, that is, its height and the size of the constant region were used as variables for the problem. The results obtained for S(q-vector), g(r-vector) and E(q-vector) for a fixed ratio r o /r c and a variable λ, indicates the raising of a system structure, which is more noticeable when the potential became more repulsive. (author)

  20. Towards a fully self-consistent inversion combining historical and paleomagnetic data for geomagnetic field reconstructions

    Science.gov (United States)

    Arneitz, P.; Leonhardt, R.; Fabian, K.; Egli, R.

    2017-12-01

    Historical and paleomagnetic data are the two main sources of information about the long-term geomagnetic field evolution. Historical observations extend to the late Middle Ages, and prior to the 19th century, they consisted mainly of pure declination measurements from navigation and orientation logs. Field reconstructions going back further in time rely solely on magnetization acquired by rocks, sediments, and archaeological artefacts. The combined dataset is characterized by a strongly inhomogeneous spatio-temporal distribution and highly variable data reliability and quality. Therefore, an adequate weighting of the data that correctly accounts for data density, type, and realistic error estimates represents the major challenge for an inversion approach. Until now, there has not been a fully self-consistent geomagnetic model that correctly recovers the variation of the geomagnetic dipole together with the higher-order spherical harmonics. Here we present a new geomagnetic field model for the last 4 kyrs based on historical, archeomagnetic and volcanic records. The iterative Bayesian inversion approach targets the implementation of reliable error treatment, which allows different record types to be combined in a fully self-consistent way. Modelling results will be presented along with a thorough analysis of model limitations, validity and sensitivity.

  1. Development of a self-consistent lightning NOx simulation in large-scale 3-D models

    Science.gov (United States)

    Luo, Chao; Wang, Yuhang; Koshak, William J.

    2017-03-01

    We seek to develop a self-consistent representation of lightning NOx (LNOx) simulation in a large-scale 3-D model. Lightning flash rates are parameterized functions of meteorological variables related to convection. We examine a suite of such variables and find that convective available potential energy and cloud top height give the best estimates compared to July 2010 observations from ground-based lightning observation networks. Previous models often use lightning NOx vertical profiles derived from cloud-resolving model simulations. An implicit assumption of such an approach is that the postconvection lightning NOx vertical distribution is the same for all deep convection, regardless of geographic location, time of year, or meteorological environment. Detailed observations of the lightning channel segment altitude distribution derived from the NASA Lightning Nitrogen Oxides Model can be used to obtain the LNOx emission profile. Coupling such a profile with model convective transport leads to a more self-consistent lightning distribution compared to using prescribed postconvection profiles. We find that convective redistribution appears to be a more important factor than preconvection LNOx profile selection, providing another reason for linking the strength of convective transport to LNOx distribution.

  2. Self-consistent modeling of plasma response to impurity spreading from intense localized source

    International Nuclear Information System (INIS)

    Koltunov, Mikhail

    2012-07-01

    Non-hydrogen impurities unavoidably exist in hot plasmas of present fusion devices. They enter it intrinsically, due to plasma interaction with the wall of vacuum vessel, as well as are seeded for various purposes deliberately. Normally, the spots where injected particles enter the plasma are much smaller than its total surface. Under such conditions one has to expect a significant modification of local plasma parameters through various physical mechanisms, which, in turn, affect the impurity spreading. Self-consistent modeling of interaction between impurity and plasma is, therefore, not possible with linear approaches. A model based on the fluid description of electrons, main and impurity ions, and taking into account the plasma quasi-neutrality, Coulomb collisions of background and impurity charged particles, radiation losses, particle transport to bounding surfaces, is elaborated in this work. To describe the impurity spreading and the plasma response self-consistently, fluid equations for the particle, momentum and energy balances of various plasma components are solved by reducing them to ordinary differential equations for the time evolution of several parameters characterizing the solution in principal details: the magnitudes of plasma density and plasma temperatures in the regions of impurity localization and the spatial scales of these regions. The results of calculations for plasma conditions typical in tokamak experiments with impurity injection are presented. A new mechanism for the condensation phenomenon and formation of cold dense plasma structures is proposed.

  3. A Self Consistent Multiprocessor Space Charge Algorithm that is Almost Embarrassingly Parallel

    International Nuclear Information System (INIS)

    Nissen, Edward; Erdelyi, B.; Manikonda, S.L.

    2012-01-01

    We present a space charge code that is self consistent, massively parallelizeable, and requires very little communication between computer nodes; making the calculation almost embarrassingly parallel. This method is implemented in the code COSY Infinity where the differential algebras used in this code are important to the algorithm's proper functioning. The method works by calculating the self consistent space charge distribution using the statistical moments of the test particles, and converting them into polynomial series coefficients. These coefficients are combined with differential algebraic integrals to form the potential, and electric fields. The result is a map which contains the effects of space charge. This method allows for massive parallelization since its statistics based solver doesn't require any binning of particles, and only requires a vector containing the partial sums of the statistical moments for the different nodes to be passed. All other calculations are done independently. The resulting maps can be used to analyze the system using normal form analysis, as well as advance particles in numbers and at speeds that were previously impossible.

  4. Self-Consistent Sources Extensions of Modified Differential-Difference KP Equation

    Science.gov (United States)

    Gegenhasi; Li, Ya-Qian; Zhang, Duo-Duo

    2018-04-01

    In this paper, we investigate a modified differential-difference KP equation which is shown to have a continuum limit into the mKP equation. It is also shown that the solution of the modified differential-difference KP equation is related to the solution of the differential-difference KP equation through a Miura transformation. We first present the Grammian solution to the modified differential-difference KP equation, and then produce a coupled modified differential-difference KP system by applying the source generation procedure. The explicit N-soliton solution of the resulting coupled modified differential-difference system is expressed in compact forms by using the Grammian determinant and Casorati determinant. We also construct and solve another form of the self-consistent sources extension of the modified differential-difference KP equation, which constitutes a Bäcklund transformation for the differential-difference KP equation with self-consistent sources. Supported by the National Natural Science Foundation of China under Grant Nos. 11601247 and 11605096, the Natural Science Foundation of Inner Mongolia Autonomous Region under Grant Nos. 2016MS0115 and 2015MS0116 and the Innovation Fund Programme of Inner Mongolia University No. 20161115

  5. Self-consistent nonlinear transmission line model of standing wave effects in a capacitive discharge

    International Nuclear Information System (INIS)

    Chabert, P.; Raimbault, J.L.; Rax, J.M.; Lieberman, M.A.

    2004-01-01

    It has been shown previously [Lieberman et al., Plasma Sources Sci. Technol. 11, 283 (2002)], using a non-self-consistent model based on solutions of Maxwell's equations, that several electromagnetic effects may compromise capacitive discharge uniformity. Among these, the standing wave effect dominates at low and moderate electron densities when the driving frequency is significantly greater than the usual 13.56 MHz. In the present work, two different global discharge models have been coupled to a transmission line model and used to obtain the self-consistent characteristics of the standing wave effect. An analytical solution for the wavelength λ was derived for the lossless case and compared to the numerical results. For typical plasma etching conditions (pressure 10-100 mTorr), a good approximation of the wavelength is λ/λ 0 ≅40 V 0 1/10 l -1/2 f -2/5 , where λ 0 is the wavelength in vacuum, V 0 is the rf voltage magnitude in volts at the discharge center, l is the electrode spacing in meters, and f the driving frequency in hertz

  6. Interactions between Nanoparticles and Polymer Brushes: Molecular Dynamics Simulations and Self-consistent Field Theory Calculations

    Science.gov (United States)

    Cheng, Shengfeng; Wen, Chengyuan; Egorov, Sergei

    2015-03-01

    Molecular dynamics simulations and self-consistent field theory calculations are employed to study the interactions between a nanoparticle and a polymer brush at various densities of chains grafted to a plane. Simulations with both implicit and explicit solvent are performed. In either case the nanoparticle is loaded to the brush at a constant velocity. Then a series of simulations are performed to compute the force exerted on the nanoparticle that is fixed at various distances from the grafting plane. The potential of mean force is calculated and compared to the prediction based on a self-consistent field theory. Our simulations show that the explicit solvent leads to effects that are not captured in simulations with implicit solvent, indicating the importance of including explicit solvent in molecular simulations of such systems. Our results also demonstrate an interesting correlation between the force on the nanoparticle and the density profile of the brush. We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Tesla K40 GPU used for this research.

  7. Electron confinement in quantum nanostructures: Self-consistent Poisson-Schroedinger theory

    International Nuclear Information System (INIS)

    Luscombe, J.H.; Bouchard, A.M.; Luban, M.

    1992-01-01

    We compute the self-consistent electron states and confining potential, V(r,T), for laterally confined cylindrical quantum wires at a temperature T from a numerical solution of the coupled Poisson and Schroedinger (PS) equations. Finite-temperature effects are included in the electron density function, n(r,T), via the single-particle density matrix in the grand-canonical ensemble using the self-consistent bound states. We compare our results for a GaAs quantum wire with those obtained previously [J. H. Luscombe and M. Luban, Appl. Phys. Lett. 57, 61 (1990)] from a finite-temperature Thomas-Fermi (TF) approximation. We find that the TF results agree well with those of the more realistic, but also more computationally intensive PS theory, except for low temperatures or for cases where the quantum wire is almost, but not totally, depleted due to a combination of either small geometry, surface boundary conditions, or low doping concentrations. In the latter situations, the number of subbands that are populated is relatively small, and both n(r,T) and V(r,T) exhibit Friedel-type oscillations. Otherwise the TF theory, which is based on free-particle states, is remarkably accurate. We also present results for the partial electron density functions associated with the angular momentum quantum numbers, and discuss their role in populating the quantum wire

  8. Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters

    Science.gov (United States)

    Wu, Xufen; Wang, Yougang; Feix, Martin; Zhao, HongSheng

    2017-08-01

    Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N-body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbits with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.

  9. GAP--a PIC-type fluid code

    International Nuclear Information System (INIS)

    Marder, B.M.

    1975-01-01

    GAP, a PIC-type fluid code for computing compressible flows, is described and demonstrated. While retaining some features of PIC, it is felt that the GAP approach is conceptually and operationally simpler. 9 figures

  10. Particle-in-cell simulations of plasma accelerators and electron-neutral collisions

    Directory of Open Access Journals (Sweden)

    David L. Bruhwiler

    2001-10-01

    Full Text Available We present 2D simulations of both beam-driven and laser-driven plasma wakefield accelerators, using the object-oriented particle-in-cell code XOOPIC, which is time explicit, fully electromagnetic, and capable of running on massively parallel supercomputers. Simulations of laser-driven wakefields with low \\(∼10^{16} W/cm^{2}\\ and high \\(∼10^{18} W/cm^{2}\\ peak intensity laser pulses are conducted in slab geometry, showing agreement with theory and fluid simulations. Simulations of the E-157 beam wakefield experiment at the Stanford Linear Accelerator Center, in which a 30 GeV electron beam passes through 1 m of preionized lithium plasma, are conducted in cylindrical geometry, obtaining good agreement with previous work. We briefly describe some of the more significant modifications to XOOPIC required by this work, and summarize the issues relevant to modeling relativistic electron-neutral collisions in a particle-in-cell code.

  11. Application of the particle-in-cell method in propagation calculations

    International Nuclear Information System (INIS)

    Voelz, E.

    1979-01-01

    The Particle-in-Cell-Method that is capable of calculating the spreading of a plume in the atmosphere under instationary and inhomogeneous conditions, has a systematical advantage over the steady state Gaussian plume model usually used. Especially the fixed-point concentration time integral is calculated realistically instead of the locally integrated concentration at a constant time as is done in the plume model. Inaccuracies due to the computational techniques may be avoided in this way. On the other hand, at first the turbulent diffusion coefficients that describe the diffusion in the particle-in-cell method, must be prepared for all diffusion types. Thereby the diffusion coefficients can be seen to be mainly deduced in the steady state. This is one reason why they cannot be used in an optimal sense in a model that actually works instationary. (orig.) [de

  12. First experience with particle-in-cell plasma physics code on ARM-based HPC systems

    Science.gov (United States)

    Sáez, Xavier; Soba, Alejandro; Sánchez, Edilberto; Mantsinen, Mervi; Mateo, Sergi; Cela, José M.; Castejón, Francisco

    2015-09-01

    In this work, we will explore the feasibility of porting a Particle-in-cell code (EUTERPE) to an ARM multi-core platform from the Mont-Blanc project. The used prototype is based on a system-on-chip Samsung Exynos 5 with an integrated GPU. It is the first prototype that could be used for High-Performance Computing (HPC), since it supports double precision and parallel programming languages.

  13. Geometric Integration Of The Valsov-Maxwell System With A Variational Particle-in-cell Scheme

    International Nuclear Information System (INIS)

    Squire, J.; Qin, H.; Tang, W.M.

    2012-01-01

    A fully variational, unstructured, electromagnetic particle-in-cell integrator is developed for integration of the Vlasov-Maxwell equations. Using the formalism of Discrete Exterior Calculus [1], the field solver, interpolation scheme and particle advance algorithm are derived through minimization of a single discrete field theory action. As a consequence of ensuring that the action is invariant under discrete electromagnetic gauge transformations, the integrator exactly conserves Gauss's law.

  14. Fractional variational problems and particle in cell gyrokinetic simulations with fuzzy logic approach for tokamaks

    Directory of Open Access Journals (Sweden)

    Rastović Danilo

    2009-01-01

    Full Text Available In earlier Rastovic's papers [1] and [2], the effort was given to analyze the stochastic control of tokamaks. In this paper, the deterministic control of tokamak turbulence is investigated via fractional variational calculus, particle in cell simulations, and fuzzy logic methods. Fractional integrals can be considered as approximations of integrals on fractals. The turbulent media could be of the fractal structure and the corresponding equations should be changed to include the fractal features of the media.

  15. Geometric integration of the Vlasov-Maxwell system with a variational particle-in-cell scheme

    Energy Technology Data Exchange (ETDEWEB)

    Squire, J.; Tang, W. M. [Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States); Qin, H. [Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543 (United States); Department of Modern Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2012-08-15

    A fully variational, unstructured, electromagnetic particle-in-cell integrator is developed for integration of the Vlasov-Maxwell equations. Using the formalism of discrete exterior calculus [Desbrun et al., e-print arXiv:math/0508341 (2005)], the field solver, interpolation scheme, and particle advance algorithm are derived through minimization of a single discrete field theory action. As a consequence of ensuring that the action is invariant under discrete electromagnetic gauge transformations, the integrator exactly conserves Gauss's law.

  16. Particle-In-Cell/Monte Carlo Simulation of Ion Back Bombardment in Photoinjectors

    International Nuclear Information System (INIS)

    Qiang, Ji; Corlett, John; Staples, John

    2009-01-01

    In this paper, we report on studies of ion back bombardment in high average current dc and rf photoinjectors using a particle-in-cell/Monte Carlo method. Using H 2 ion as an example, we observed that the ion density and energy deposition on the photocathode in rf guns are order of magnitude lower than that in a dc gun. A higher rf frequency helps mitigate the ion back bombardment of the cathode in rf guns

  17. Plasma non-uniformity in a symmetric radiofrequency capacitively-coupled reactor with dielectric side-wall: a two dimensional particle-in-cell/Monte Carlo collision simulation

    Science.gov (United States)

    Liu, Yue; Booth, Jean-Paul; Chabert, Pascal

    2018-02-01

    A Cartesian-coordinate two-dimensional electrostatic particle-in-cell/Monte Carlo collision (PIC/MCC) plasma simulation code is presented, including a new treatment of charge balance at dielectric boundaries. It is used to simulate an Ar plasma in a symmetric radiofrequency capacitively-coupled parallel-plate reactor with a thick (3.5 cm) dielectric side-wall. The reactor size (12 cm electrode width, 2.5 cm electrode spacing) and frequency (15 MHz) are such that electromagnetic effects can be ignored. The dielectric side-wall effectively shields the plasma from the enhanced electric field at the powered-grounded electrode junction, which has previously been shown to produce locally enhanced plasma density (Dalvie et al 1993 Appl. Phys. Lett. 62 3207-9 Overzet and Hopkins 1993 Appl. Phys. Lett. 63 2484-6 Boeuf and Pitchford 1995 Phys. Rev. E 51 1376-90). Nevertheless, enhanced electron heating is observed in a region adjacent to the dielectric boundary, leading to maxima in ionization rate, plasma density and ion flux to the electrodes in this region, and not at the reactor centre as would otherwise be expected. The axially-integrated electron power deposition peaks closer to the dielectric edge than the electron density. The electron heating components are derived from the PIC/MCC simulations and show that this enhanced electron heating results from increased Ohmic heating in the axial direction as the electron density decreases towards the side-wall. We investigated the validity of different analytical formulas to estimate the Ohmic heating by comparing them to the PIC results. The widespread assumption that a time-averaged momentum transfer frequency, v m , can be used to estimate the momentum change can cause large errors, since it neglects both phase and amplitude information. Furthermore, the classical relationship between the total electron current and the electric field must be used with caution, particularly close to the dielectric edge where the (neglected

  18. Particle-in-cell simulation of electron trajectories and irradiation uniformity in an annular cathode high current pulsed electron beam source

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Wei; Wang, Langping, E-mail: aplpwang@hit.edu.cn; Zhou, Guangxue; Wang, Xiaofeng

    2017-02-01

    Highlights: • The transmission process of electrons and irradiation uniformity was simulated. • Influence of the irradiation parameters on irradiation uniformity are discussed. • High irradiation uniformity can be obtained in a wide processing window. - Abstract: In order to study electron trajectories in an annular cathode high current pulsed electron beam (HCPEB) source based on carbon fiber bunches, the transmission process of electrons emitted from the annular cathode was simulated using a particle-in-cell model with Monte Carlo collisions (PIC-MCC). The simulation results show that the intense flow of the electrons emitted from the annular cathode are expanded during the transmission process, and the uniformity of the electron distribution is improved in the transportation process. The irradiation current decreases with the irradiation distance and the pressure, and increases with the negative voltage. In addition, when the irradiation distance and the cathode voltage are larger than 40 mm and −15 kV, respectively, a uniform irradiation current distribution along the circumference of the anode can be obtained. The simulation results show that good irradiation uniformity of circular components can be achieved by this annular cathode HCPEB source.

  19. Progress in the study of mesh refinement for particle-in-cell plasma simulations and its application to heavy ion fusion

    International Nuclear Information System (INIS)

    Vay, J.-L.; Friedman, A.; Grote, D.P.

    2002-01-01

    The numerical simulation of the driving beams in a heavy ion fusion power plant is a challenging task, and, despite rapid progress in computer power, one must consider the use of the most advanced numerical techniques. One of the difficulties of these simulations resides in the disparity of scales in time and in space which must be resolved. When these disparities are in distinctive zones of the simulation region, a method which has proven to be effective in other areas (e.g. fluid dynamics simulations) is the Adaptive-Mesh-Refinement (AMR) technique. We follow in this article the progress accomplished in the last few months in the merging of the AMR technique with Particle-In-Cell (PIC) method. This includes a detailed modeling of the Lampel-Tiefenback solution for the one-dimensional diode using novel techniques to suppress undesirable numerical oscillations and an AMR patch to follow the head of the particle distribution. We also report new results concerning the modeling of ion sources using the axisymmetric WARPRZ-AMR prototype showing the utility of an AMR patch resolving the emitter vicinity and the beam edge

  20. Self-consistent clustering analysis: an efficient multiscale scheme for inelastic heterogeneous materials

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Z.; Bessa, M. A.; Liu, W.K.

    2017-10-25

    A predictive computational theory is shown for modeling complex, hierarchical materials ranging from metal alloys to polymer nanocomposites. The theory can capture complex mechanisms such as plasticity and failure that span across multiple length scales. This general multiscale material modeling theory relies on sound principles of mathematics and mechanics, and a cutting-edge reduced order modeling method named self-consistent clustering analysis (SCA) [Zeliang Liu, M.A. Bessa, Wing Kam Liu, “Self-consistent clustering analysis: An efficient multi-scale scheme for inelastic heterogeneous materials,” Comput. Methods Appl. Mech. Engrg. 306 (2016) 319–341]. SCA reduces by several orders of magnitude the computational cost of micromechanical and concurrent multiscale simulations, while retaining the microstructure information. This remarkable increase in efficiency is achieved with a data-driven clustering method. Computationally expensive operations are performed in the so-called offline stage, where degrees of freedom (DOFs) are agglomerated into clusters. The interaction tensor of these clusters is computed. In the online or predictive stage, the Lippmann-Schwinger integral equation is solved cluster-wise using a self-consistent scheme to ensure solution accuracy and avoid path dependence. To construct a concurrent multiscale model, this scheme is applied at each material point in a macroscale structure, replacing a conventional constitutive model with the average response computed from the microscale model using just the SCA online stage. A regularized damage theory is incorporated in the microscale that avoids the mesh and RVE size dependence that commonly plagues microscale damage calculations. The SCA method is illustrated with two cases: a carbon fiber reinforced polymer (CFRP) structure with the concurrent multiscale model and an application to fatigue prediction for additively manufactured metals. For the CFRP problem, a speed up estimated to be about

  1. Self-consistent density functional calculation of the image potential at a metal surface

    International Nuclear Information System (INIS)

    Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

    2007-01-01

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

  2. Geometry and time scales of self-consistent orbits in a modified SU(2) model

    International Nuclear Information System (INIS)

    Jezek, D.M.; Hernandez, E.S.; Solari, H.G.

    1986-01-01

    We investigate the time-dependent Hartree-Fock flow pattern of a two-level many fermion system interacting via a two-body interaction which does not preserve the parity symmetry of standard SU(2) models. The geometrical features of the time-dependent Hartree-Fock energy surface are analyzed and a phase instability is clearly recognized. The time evolution of one-body observables along self-consistent and exact trajectories are examined together with the overlaps between both orbits. Typical time scales for the determinantal motion can be set and the validity of the time-dependent Hartree-Fock approach in the various regions of quasispin phase space is discussed

  3. Self-consistent Hartree-Fock RPA calculations in 208Pb

    Science.gov (United States)

    Taqi, Ali H.; Ali, Mohammed S.

    2018-01-01

    The nuclear structure of 208Pb is studied in the framework of the self-consistent random phase approximation (SCRPA). The Hartree-Fock mean field and single particle states are used to implement a completely SCRPA with Skyrme-type interactions. The Hamiltonian is diagonalised within a model space using five Skyrme parameter sets, namely LNS, SkI3, SkO, SkP and SLy4. In view of the huge number of the existing Skyrme-force parameterizations, the question remains which of them provide the best description of data. The approach attempts to accurately describe the structure of the spherical even-even nucleus 208Pb. To illustrate our approach, we compared the binding energy, charge density distribution, excitation energy levels scheme with the available experimental data. Moreover, we calculated isoscalar and isovector monopole, dipole, and quadrupole transition densities and strength functions.

  4. Overlap function and Regge cut in a self-consistent multi-Regge model

    International Nuclear Information System (INIS)

    Banerjee, H.; Mallik, S.

    1977-01-01

    A self-consistent multi-Regge model with unit intercept for the input trajectory is presented. Violation of unitarity is avoided in the model by assuming the vanishing of the pomeron-pomeron-hadron vertex, as the mass of either pomeron tends to zero. The model yields an output Regge pole in the inelastic overlap function which for t>0 lies on the r.h.s. of the moving branch point in the complex J-plane, but for t<0 moves to unphysical sheets. The leading Regge-cut contribution to the forward diffraction amplitude can be negative, so that the total cross section predicted by the model attains a limiting value from below

  5. Overlap function and Regge cut in a self-consistent multi-Regge model

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, H [Saha Inst. of Nuclear Physics, Calcutta (India); Mallik, S [Bern Univ. (Switzerland). Inst. fuer Theoretische Physik

    1977-04-21

    A self-consistent multi-Regge model with unit intercept for the input trajectory is presented. Violation of unitarity is avoided in the model by assuming the vanishing of the pomeron-pomeron-hadron vertex, as the mass of either pomeron tends to zero. The model yields an output Regge pole in the inelastic overlap function which for t>0 lies on the r.h.s. of the moving branch point in the complex J-plane, but for t<0 moves to unphysical sheets. The leading Regge-cut contribution to the forward diffraction amplitude can be negative, so that the total cross section predicted by the model attains a limiting value from below.

  6. Self-consistent model of the Rayleigh--Taylor instability in ablatively accelerated laser plasma

    International Nuclear Information System (INIS)

    Bychkov, V.V.; Golberg, S.M.; Liberman, M.A.

    1994-01-01

    A self-consistent approach to the problem of the growth rate of the Rayleigh--Taylor instability in laser accelerated targets is developed. The analytical solution of the problem is obtained by solving the complete system of the hydrodynamical equations which include both thermal conductivity and energy release due to absorption of the laser light. The developed theory provides a rigorous justification for the supplementary boundary condition in the limiting case of the discontinuity model. An analysis of the suppression of the Rayleigh--Taylor instability by the ablation flow is done and it is found that there is a good agreement between the obtained solution and the approximate formula σ = 0.9√gk - 3u 1 k, where g is the acceleration, u 1 is the ablation velocity. This paper discusses different regimes of the ablative stabilization and compares them with previous analytical and numerical works

  7. Concept of grouping in partitioning of HLW for self-consistent fuel cycle

    International Nuclear Information System (INIS)

    Kitamoto, A.; Mulyanto

    1993-01-01

    A concept of grouping for partitioning of HLW has been developed in order to examine the possibility of a self-consistent fuel recycle. The concept of grouping of radionuclides is proposed herein, such as Group MA1 (MA below Cm), Group MA2 (Cm and higher MA), Group A ( 99 Tc and I), Group B (Cs and Sr) and Group R (the partitioned remain of HLW). Group B is difficult to be transmuted by neutron reaction, so a radiation application in an industrial scale should be developed in the future. Group A and Group MA1 can be burned by a thermal reactor, on the other hand Group MA2 should be burned by a fast reactor. P-T treatment can be optimized for the in-core and out-core system, respectively

  8. Nuclear level densities with pairing and self-consistent ground-state shell effects

    CERN Document Server

    Arnould, M

    1981-01-01

    Nuclear level density calculations are performed using a model of fermions interacting via the pairing force, and a realistic single particle potential. The pairing interaction is treated within the BCS approximation with different pairing strength values. The single particle potentials are derived in the framework of an energy-density formalism which describes self-consistently the ground states of spherical nuclei. These calculations are extended to statistically deformed nuclei, whose estimated level densities include rotational band contributions. The theoretical results are compared with various experimental data. In addition, the level densities for several nuclei far from stability are compared with the predictions of a back-shifted Fermi gas model. Such a comparison emphasizes the possible danger of extrapolating to unknown nuclei classical level density formulae whose parameter values are tailored for known nuclei. (41 refs).

  9. Self-consistent simulations of nonlinear magnetohydrodynamics and profile evolution in stellarator configurations

    Energy Technology Data Exchange (ETDEWEB)

    Schlutt, M. G.; Hegna, C. C.; Sovinec, C. R. [University of Wisconsin-Madison, 1500 Engineering Dr., Madison, Wisconsin 53706 (United States); Held, E. D. [Utah State University, Logan, Utah 84322 (United States); Kruger, S. E. [Tech-X Corporation, 5621 Arapahoe Ave., Boulder, Colorado 80303 (United States)

    2013-05-15

    Self-consistent extended MHD framework is used to investigate nonlinear macroscopic dynamics of stellarator configurations. In these calculations, initial conditions are given by analytical 3-D vacuum solutions. Finite beta discharges in a straight stellarator are simulated. Vacuum magnetic fields are applied to produce stellarator-like rotational transform profiles with iota(0) ≤ 0.5 and iota(0) ≥ 0.5. The vacuum magnetic fields are either helically symmetric or spoiled by the presence of magnetic harmonics of incommensurate helicity. As heat is added to the system, pressure-driven instabilities are excited when a critical β is exceeded. These instabilities may grow to large amplitude and effectively terminate the discharge, or they may saturate nonlinearly as the configuration evolves. In all of these studies, anisotropic heat conduction is allowed with κ{sub ∥}/κ{sub ⊥}=10{sup 4}−10{sup 7}.

  10. Studies of self-consistent field structure in a quasi-optical gyrotron

    International Nuclear Information System (INIS)

    Antonsen, T.M. Jr.

    1993-04-01

    The presence of an electron beam in a quasi-optical gyrotron cavity alters the structure of the fields from that of the empty cavity. A computer code has been written which calculates this alteration for either an electron beam or a thin dielectric tube placed in the cavity. Experiments measuring the quality factor of such a cavity performed for the case of a dielectric tube and the results agree with the predictions of the code. Simulations of the case of an electron beam indicate that self-consistent effects can be made small in that almost all the power leaves the cavity in a symmetric gaussian-like mode provided the resonator parameters are chosen carefully. (author) 6 figs., 1 tab., 13 refs

  11. A self consistent study of the phase transition in the scalar electroweak theory at finite temperature

    International Nuclear Information System (INIS)

    Kerres, U.; Mack, G.; Palma, G.

    1994-12-01

    We propose the study of the phase transition in the scalar electroweak theory at finite temperature by a two-step method. It combines i) dimensional reduction to a 3-dimensional lattice theory via perturbative blockspin transformation, and ii) either further real space renormalization group transformations, or solution of gap equations, for the 3d lattice theory. A gap equation can be obtained by using the Peierls inequality to find the best quadratic approximation to the 3d action. This method avoids the lack of self consistency of the usual treatments which do not separate infrared and UV-problems by introduction of a lattice cutoff. The effective 3d lattice action could also be used in computer simulations. (orig.)

  12. A self consistent study of the phase transition in the scalar electroweak theory at finite temperature

    International Nuclear Information System (INIS)

    Kerres, U.

    1995-01-01

    We propose the study of the phase transition in the scalar electroweak theory at finite temperature by a two-step method. It combines i) dimensional reduction to a 3-dimensional lattice theory via perturbative blockspin transformation, and ii) either further real space renormalization group transformations, or solution of gap equations, for the 3d lattice theory. A gap equation can be obtained by using the Peierls inequality to find the best quadratic approximation to the 3d action. This method avoids the lack of self consistency of the usual treatments which do not separate infrared and UV-problems by introduction of a lattice cutoff. The effective 3d lattice action could also be used in computer simulations. ((orig.))

  13. The self-consistent multiparticle-multihole configuration mixing. Motivations, state of the art and perspectives

    Energy Technology Data Exchange (ETDEWEB)

    Pillet, N.; Dupuis, M.; Hupin, G.; Berger, J.F. [DAM, CEA, Arpajon (France); Robin, C. [Western Michigan University, Department of Physics, Kalamazoo, MI (United States)

    2017-03-15

    The main objective of this paper is to review the state of the art of the multiparticle-multihole configuration mixing approach which was proposed and implemented using the Gogny interaction ∝ 10 years ago. Various theoretical aspects are re-analyzed when a Hamiltonian description is chosen: the link with exact many-body theories, the impact of truncations in the multiconfigurational space, the importance of defining single-particle orbitals which are consistent with the correlations introduced in the many-body wave function, the role of the self-consistency, and more practically the numerical convergence algorithm. Several applications done with the phenomenological effective Gogny interaction are discussed. Finally, future directions to extend and generalize the method are discussed. (orig.)

  14. Self-consistent neutral point current and fields from single particle dynamics

    International Nuclear Information System (INIS)

    Martin, R.F. Jr.

    1988-01-01

    In order to begin to build a global model of the magnetotail-auroral region interaction, it is of interest to understand the role of neutral points as potential centers of particle energization in the tail. In this paper, the single particle current is calculated near a magnetic neutral point with magnetotail properties. This is balanced with the Ampere's law current producing the magnetic field to obtain the self-consistent electric field for the problem. Also calculated is the current-electric field relationship and, in the regime where this relation is linear, an effective conductivity. Results for these macroscopic quantities are surprisingly similar to the values calculated for a constant normal field current sheet geometry. Application to magnetotail modeling is discussed. 11 references

  15. Self-consistent electrostatic potential due to trapped plasma in the magnetosphere

    International Nuclear Information System (INIS)

    Miller, R.H.; Khazanov, G.V.

    1993-01-01

    The authors address the problem of the steady state confinement of plasma in a magnetic flux tube. They construct a steady state distribution function, under the assumption of no waves or collisions, using the kinematic constants of the motion, total energy and magnetic moment. The local particle densities are shown to be integrals over the equatorial distribution function for the particle of concern. The electric potential is determined by the imposition of quasineutrality. The authors show that their self consistent model produces potential drops which are consistent with the kinetic energy of the equatorially trapped particles. They comment on earlier work of Alfven and Faelthammar, and for a bi-Maxwellian distribution compare the results of the present model with the Alfven and Faelthammar model

  16. Self-consistent depth profiling and imaging of GaN-based transistors using ion microbeams

    Energy Technology Data Exchange (ETDEWEB)

    Redondo-Cubero, A., E-mail: andres.redondo@uam.es [IPFN, Instituto Superior Técnico, Campus Tecnológico e Nuclear, Universidade de Lisboa, 2686-953 Bobadela (Portugal); Departamento de Física Aplicada y Centro de Micro-Análisis de Materiales, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Corregidor, V. [IPFN, Instituto Superior Técnico, Campus Tecnológico e Nuclear, Universidade de Lisboa, 2686-953 Bobadela (Portugal); Vázquez, L. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, 28049 Madrid (Spain); Alves, L.C. [C2TN, Instituto Superior Técnico, Campus Tecnológico e Nuclear, Universidade de Lisboa, 2686-953 Bobadela (Portugal)

    2015-04-01

    Using an ion microprobe, a comprehensive lateral and in-depth characterization of a single GaN-based high electron mobility transistor is carried out by means of Rutherford backscattering spectrometry (RBS) in combination with particle induced X-ray emission (PIXE). Elemental distribution was obtained for every individual section of the device (wafer, gate and source contact), identifying the basic constituents of the transistor (including the detection of the passivant layer) and checking its homogeneity. A self-consistent analysis of each individual regions of the transistor was carried out with a simultaneous fit of RBS and PIXE spectra with two different beam conditions. Following this approach, the quantification of the atomic content and the layer thicknesses was successfully achieved overcoming the mass-depth ambiguity of certain elements.

  17. Self-consistent finite-temperature model of atom-laser coherence properties

    International Nuclear Information System (INIS)

    Fergusson, J.R.; Geddes, A.J.; Hutchinson, D.A.W.

    2005-01-01

    We present a mean-field model of a continuous-wave atom laser with Raman output coupling. The noncondensate is pumped at a fixed input rate which, in turn, pumps the condensate through a two-body scattering process obeying the Fermi golden rule. The gas is then coupled out by a Gaussian beam from the system, and the temperature and particle number are self-consistently evaluated against equilibrium constraints. We observe the dependence of the second-order coherence of the output upon the width of the output-coupling beam, and note that even in the presence of a highly coherent trapped gas, perfect coherence of the output matter wave is not guaranteed

  18. Multifractality and quantum diffusion from self-consistent theory of localization

    Energy Technology Data Exchange (ETDEWEB)

    Suslov, I. M., E-mail: suslov@kapitza.ras.ru [Kapitza Institute for Physical Problems (Russian Federation)

    2015-11-15

    Multifractal properties of wave functions in a disordered system can be derived from self-consistent theory of localization by Vollhardt and Wölfle. A diagrammatic interpretation of results allows to obtain all scaling relations used in numerical experiments. The arguments are given that the one-loop Wegner result for a space dimension d = 2 + ϵ is exact, so the multifractal spectrum is strictly parabolical. The σ-models are shown to be deficient at the four-loop level and the possible reasons of that are discussed. The extremely slow convergence to the thermodynamic limit is demonstrated. The open question on the relation between multifractality and a spatial dispersion of the diffusion coefficient D(ω, q) is resolved in the compromise manner due to ambiguity of the D(ω, q) definition. Comparison is made with the extensive numerical material.

  19. Self-consistent approach to x-ray reflection from rough surfaces

    International Nuclear Information System (INIS)

    Feranchuk, I. D.; Feranchuk, S. I.; Ulyanenkov, A. P.

    2007-01-01

    A self-consistent analytical approach for specular x-ray reflection from interfaces with transition layers [I. D. Feranchuk et al., Phys. Rev. B 67, 235417 (2003)] based on the distorted-wave Born approximation (DWBA) is used for the description of coherent and incoherent x-ray scattering from rough surfaces and interfaces. This approach takes into account the transformation of the modeling transition layer profile at the interface, which is caused by roughness correlations. The reflection coefficients for each DWBA order are directly calculated without phenomenological assumptions on their exponential decay at large scattering angles. Various regions of scattering angles are discussed, which show qualitatively different dependence of the reflection coefficient on the scattering angle. The experimental data are analyzed using the method developed

  20. Self-consistent RPA and the time-dependent density matrix approach

    Energy Technology Data Exchange (ETDEWEB)

    Schuck, P. [Institut de Physique Nucleaire, Orsay (France); CNRS et Universite Joseph Fourier, Laboratoire de Physique et Modelisation des Milieux Condenses, Grenoble (France); Tohyama, M. [Kyorin University School of Medicine, Mitaka, Tokyo (Japan)

    2016-10-15

    The time-dependent density matrix (TDDM) or BBGKY (Bogoliubov, Born, Green, Kirkwood, Yvon) approach is decoupled and closed at the three-body level in finding a natural representation of the latter in terms of a quadratic form of two-body correlation functions. In the small amplitude limit an extended RPA coupled to an also extended second RPA is obtained. Since including two-body correlations means that the ground state cannot be a Hartree-Fock state, naturally the corresponding RPA is upgraded to Self-Consistent RPA (SCRPA) which was introduced independently earlier and which is built on a correlated ground state. SCRPA conserves all the properties of standard RPA. Applications to the exactly solvable Lipkin and the 1D Hubbard models show good performances of SCRPA and TDDM. (orig.)

  1. Self-consistent model for pulsed direct-current N2 glow discharge

    International Nuclear Information System (INIS)

    Liu Chengsen

    2005-01-01

    A self-consistent analysis of a pulsed direct-current (DC) N 2 glow discharge is presented. The model is based on a numerical solution of the continuity equations for electron and ions coupled with Poisson's equation. The spatial-temporal variations of ionic and electronic densities and electric field are obtained. The electric field structure exhibits all the characteristic regions of a typical glow discharge (the cathode fall, the negative glow, and the positive column). Current-voltage characteristics of the discharge can be obtained from the model. The calculated current-voltage results using a constant secondary electron emission coefficient for the gas pressure 133.32 Pa are in reasonable agreement with experiment. (authors)

  2. Optimization of nanowire DNA sensor sensitivity using self-consistent simulation

    KAUST Repository

    Baumgartner, S; Vasicek, M; Bulyha, A; Heitzinger, C

    2011-01-01

    In order to facilitate the rational design and the characterization of nanowire field-effect sensors, we have developed a model based on self-consistent charge-transport equations combined with interface conditions for the description of the biofunctionalized surface layer at the semiconductor/electrolyte interface. Crucial processes at the interface, such as the screening of the partial charges of the DNA strands and the influence of the angle of the DNA strands with respect to the nanowire, are computed by a Metropolis Monte Carlo algorithm for charged molecules at interfaces. In order to investigate the sensing mechanism of the device, we have computed the current-voltage characteristics, the electrostatic potential and the concentrations of electrons and holes. Very good agreement with measurements has been found and optimal device parameters have been identified. Our approach provides the capability to study the device sensitivity, which is of fundamental importance for reliable sensing. © IOP Publishing Ltd.

  3. Second-Order Perturbation Theory for Generalized Active Space Self-Consistent-Field Wave Functions.

    Science.gov (United States)

    Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura

    2016-07-12

    A multireference second-order perturbation theory approach based on the generalized active space self-consistent-field (GASSCF) wave function is presented. Compared with the complete active space (CAS) and restricted active space (RAS) wave functions, GAS wave functions are more flexible and can employ larger active spaces and/or different truncations of the configuration interaction expansion. With GASSCF, one can explore chemical systems that are not affordable with either CASSCF or RASSCF. Perturbation theory to second order on top of GAS wave functions (GASPT2) has been implemented to recover the remaining electron correlation. The method has been benchmarked by computing the chromium dimer ground-state potential energy curve. These calculations show that GASPT2 gives results similar to CASPT2 even with a configuration interaction expansion much smaller than the corresponding CAS expansion.

  4. Self-consistence equations for extended Feynman rules in quantum chromodynamics

    International Nuclear Information System (INIS)

    Wielenberg, A.

    2005-01-01

    In this thesis improved solutions for Green's functions are obtained. First the for this thesis essential techniques and concepts of QCD as euclidean field theory are presented. After a discussion of the foundations of the extended approach for the Feynman rules of QCD with a systematic approach for the 4-gluon vertex a modified renormalization scheme for the extended approach is developed. Thereafter the resummation of the Dyson-Schwinger equations (DSE) by the appropriately modified Bethe-Salpeter equation is discussed. Then the leading divergences for the 1-loop graphs of the resummed DSE are determined. Thereafter the equation-of-motion condensate is defined as result of an operator-product expansion. Then the self-consistency equations for the extended approaches are defined and numerically solved. (HSI)

  5. Thermodynamically self-consistent theory for the Blume-Capel model.

    Science.gov (United States)

    Grollau, S; Kierlik, E; Rosinberg, M L; Tarjus, G

    2001-04-01

    We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

  6. Raychaudhuri equation in the self-consistent Einstein-Cartan theory with spin-density

    Science.gov (United States)

    Fennelly, A. J.; Krisch, Jean P.; Ray, John R.; Smalley, Larry L.

    1988-01-01

    The physical implications of the Raychaudhuri equation for a spinning fluid in a Riemann-Cartan spacetime is developed and discussed using the self-consistent Lagrangian based formulation for the Einstein-Cartan theory. It was found that the spin-squared terms contribute to expansion (inflation) at early times and may lead to a bounce in the final collapse. The relationship between the fluid's vorticity and spin angular velocity is clarified and the effect of the interaction terms between the spin angular velocity and the spin in the Raychaudhuri equation investigated. These results should prove useful for studies of systems with an intrinsic spin angular momentum in extreme astrophysical or cosmological problems.

  7. Self-consistent relativistic Boltzmann-Uehling-Uhlenbeck equation for the Δ distribution function

    International Nuclear Information System (INIS)

    Mao, G.; Li, Z.; Zhuo, Y.

    1996-01-01

    We derive the self-consistent relativistic Boltzmann-Uehling-Uhlenbeck (RBUU) equation for the delta distribution function within the framework which we have done for nucleon close-quote s. In our approach, the Δ isobars are treated in essentially the same way as nucleons. Both mean field and collision terms of Δ close-quote s RBUU equation are derived from the same effective Lagrangian and presented analytically. We calculate the in-medium NΔ elastic and inelastic scattering cross sections up to twice nuclear matter density and the results show that the in-medium cross sections deviate substantially from Cugnon close-quote s parametrization that is commonly used in the transport model. copyright 1996 The American Physical Society

  8. Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis.

    Science.gov (United States)

    Scribano, Yohann; Lauvergnat, David M; Benoit, David M

    2010-09-07

    In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self-consistent field (VSCF)/vibrational configuration interaction (VCI) method for the calculation of vibrational anharmonic frequencies. By combining this with fast-VSCF, an efficient direct evaluation of the ab initio potential-energy surface (PES), we introduce a general formalism for the computation of vibrational bound states of molecular systems exhibiting large-amplitude motion such as methyl-group torsion. We validate our approach on an analytical two-dimensional model and apply it to the methanol molecule. We show that curvilinear coordinates lead to a significant improvement in the VSCF/VCI description of the torsional frequency in methanol, even for a simple two-mode coupling expansion of the PES. Moreover, we demonstrate that a curvilinear formulation of the fast-VSCF/VCI scheme improves its speed by a factor of two and its accuracy by a factor of 3.

  9. Effects of Dzyaloshinsky–Moriya interaction on magnetism in nanodisks from a self-consistent approach

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Zhaosen, E-mail: liuzhsnj@yahoo.com [Nanjing University of Information Science and Technology, Department of Applied Physics (China); Ian, Hou, E-mail: houian@umac.mo [University of Macau, Institute of Applied Physics and Materials Engineering, FST (China)

    2016-01-15

    We give a theoretical study on the magnetic properties of monolayer nanodisks with both Heisenberg exchange and Dzyaloshinsky–Moriya (DM) interactions. In particular, we survey the magnetic effects caused by anisotropy, external magnetic field, and disk size when DM interaction is present by means of a new quantum simulation method facilitated by a self-consistent algorithm based on mean field theory. This computational approach finds that uniaxial anisotropy and transversal magnetic field enhance the net magnetization as well as increase the transition temperature of the vortical phase while preserving the chiralities of the swirly magnetic structures, whereas when the strength of DM interaction is sufficiently strong for a given disk size, magnetic domains appear within the circularly bounded region, which vanish and give in to a single vortex when a transversal magnetic field is applied. The latter confirms the magnetic skyrmions induced by the magnetic field as observed in the experiments.

  10. Longitudinal halo in beam bunches with self-consistent 6-D distributions

    International Nuclear Information System (INIS)

    Gluckstern, R. L.; Fedotov, A. V.; Kurennoy, S. S.; Ryne, R. D.

    1998-01-01

    We have explored the formation of longitudinal and transverse halos in 3-D axisymmetric beam bunches by starting with a self-consistent 6-D phase space distribution. Stationary distributions allow us to study the halo development mechanism without being obscured by beam redistribution and its effect on halo formation. The beam is then mismatched longitudinally and/or transversely, and we explore the rate, intensity and spatial extent of the halos which form, as a function of the beam charge and the mismatches. We find that the longitudinal halo forms first because the longitudinal tune depression is more severe than the transverse one for elongated bunches and conclude that it plays a major role in halo formation

  11. A self-consistent model for polycrystal deformation. Description and implementation

    International Nuclear Information System (INIS)

    Clausen, B.; Lorentzen, T.

    1997-04-01

    This report is a manual for the ANSI C implementation of an incremental elastic-plastic rate-insensitive self-consistent polycrystal deformation model based on (Hutchinson 1970). The model is furthermore described in the Ph.D. thesis by Clausen (Clausen 1997). The structure of the main program, sc m odel.c, and its subroutines are described with flow-charts. Likewise the pre-processor, sc i ni.c, is described with a flowchart. Default values of all the input parameters are given in the pre-processor, but the user is able to select from other pre-defined values or enter new values. A sample calculation is made and the results are presented as plots and examples of the output files are shown. (au) 4 tabs., 28 ills., 17 refs

  12. Self-consistent density functional calculation of the image potential at a metal surface

    Energy Technology Data Exchange (ETDEWEB)

    Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

    2007-07-04

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

  13. Optimization of nanowire DNA sensor sensitivity using self-consistent simulation

    KAUST Repository

    Baumgartner, S

    2011-09-26

    In order to facilitate the rational design and the characterization of nanowire field-effect sensors, we have developed a model based on self-consistent charge-transport equations combined with interface conditions for the description of the biofunctionalized surface layer at the semiconductor/electrolyte interface. Crucial processes at the interface, such as the screening of the partial charges of the DNA strands and the influence of the angle of the DNA strands with respect to the nanowire, are computed by a Metropolis Monte Carlo algorithm for charged molecules at interfaces. In order to investigate the sensing mechanism of the device, we have computed the current-voltage characteristics, the electrostatic potential and the concentrations of electrons and holes. Very good agreement with measurements has been found and optimal device parameters have been identified. Our approach provides the capability to study the device sensitivity, which is of fundamental importance for reliable sensing. © IOP Publishing Ltd.

  14. The self-consistent multiparticle-multihole configuration mixing. Motivations, state of the art and perspectives

    Science.gov (United States)

    Pillet, N.; Robin, C.; Dupuis, M.; Hupin, G.; Berger, J.-F.

    2017-03-01

    The main objective of this paper is to review the state of the art of the multiparticle-multihole configuration mixing approach which was proposed and implemented using the Gogny interaction ˜ 10 years ago. Various theoretical aspects are re-analyzed when a Hamiltonian description is chosen: the link with exact many-body theories, the impact of truncations in the multiconfigurational space, the importance of defining single-particle orbitals which are consistent with the correlations introduced in the many-body wave function, the role of the self-consistency, and more practically the numerical convergence algorithm. Several applications done with the phenomenological effective Gogny interaction are discussed. Finally, future directions to extend and generalize the method are discussed.

  15. The self-consistent multiparticle-multihole configuration mixing. Motivations, state of the art and perspectives

    International Nuclear Information System (INIS)

    Pillet, N.; Dupuis, M.; Hupin, G.; Berger, J.F.; Robin, C.

    2017-01-01

    The main objective of this paper is to review the state of the art of the multiparticle-multihole configuration mixing approach which was proposed and implemented using the Gogny interaction ∝ 10 years ago. Various theoretical aspects are re-analyzed when a Hamiltonian description is chosen: the link with exact many-body theories, the impact of truncations in the multiconfigurational space, the importance of defining single-particle orbitals which are consistent with the correlations introduced in the many-body wave function, the role of the self-consistency, and more practically the numerical convergence algorithm. Several applications done with the phenomenological effective Gogny interaction are discussed. Finally, future directions to extend and generalize the method are discussed. (orig.)

  16. A self-consistent model for polycrystal deformation. Description and implementation

    Energy Technology Data Exchange (ETDEWEB)

    Clausen, B.; Lorentzen, T.

    1997-04-01

    This report is a manual for the ANSI C implementation of an incremental elastic-plastic rate-insensitive self-consistent polycrystal deformation model based on (Hutchinson 1970). The model is furthermore described in the Ph.D. thesis by Clausen (Clausen 1997). The structure of the main program, sc{sub m}odel.c, and its subroutines are described with flow-charts. Likewise the pre-processor, sc{sub i}ni.c, is described with a flowchart. Default values of all the input parameters are given in the pre-processor, but the user is able to select from other pre-defined values or enter new values. A sample calculation is made and the results are presented as plots and examples of the output files are shown. (au) 4 tabs., 28 ills., 17 refs.

  17. Similarities between Prescott Lecky's theory of self-consistency and Carl Rogers' self-theory.

    Science.gov (United States)

    Merenda, Peter F

    2010-10-01

    The teachings of Prescott Lecky on the self-concept at Columbia University in the 1920s and 1930s and the posthumous publications of his book on self-consistency beginning in 1945 are compared with the many publications of Carl Rogers on the self-concept beginning in the early 1940s. Given that Rogers was a graduate student at Columbia in the 1920s and 1930s, the striking similarities between these two theorists, as well as claims attributed to Rogers by Rogers' biographers and writers who have quoted Rogers on his works relating to self-theory, strongly suggest that Rogers borrowed from Lecky without giving him the proper credit. Much of Rogers' writings on the self-concept included not only terms and concepts which were original with Lecky, but at times these were actually identical.

  18. Simulation of recrystallization textures in FCC materials based on a self consistent model

    International Nuclear Information System (INIS)

    Bolmaro, R.E; Roatta, A; Fourty, A.L; Signorelli, J.W; Bertinetti, M.A

    2004-01-01

    The development of re-crystallization textures in FCC polycrystalline materials has been a long lasting scientific problem. The appearance of the so-called cubic component in high stack fault energy laminated FCC materials is not an entirely understood phenomenon. This work approaches the problem using a self- consistent simulation technique of homogenization. The information on first preferential neighbors is used in the model to consider grain boundary energies and intra granular misorientations and to treat the growth of grains and the mobility of the grain boundary. The energies accumulated by deformations are taken as conducting energies of the nucleation and the later growth is statistically governed by the grain boundary energies. The model shows the correct trend for re-crystallization textures obtained from previously simulated deformation textures for high and low stack fault energy FCC materials. The model's topological representation is discussed (CW)

  19. Self-consistent description of static properties of nuclear deformation from nucleon-nucleon effective interactions

    International Nuclear Information System (INIS)

    Quentin, Philippe.

    1975-01-01

    A self-consistent description of deformed nuclei is presented in the Hartree-Fock approximation after correcting in an approximate but variational way for pairing correlations. Density dependent phenomenological effective interactions have been used, mainly according to the Skyrme's parametrization. Methods in use and various related approximations are reviewed in an extensive way. Calculated nuclei belong to the s-d shell, to the rare earth region, to the two transitional regions before and after the latter region, and to the actinide region. For all these nuclei, calculated deformation properties agree remarkably well with experimental data. Such results are extensively compared with those obtained in the more phenomenological approach due to Strutinsky. Finally the hypotheses formulated by Strutinsky are checked numerically in a systematic way, thus leading to the conclusion of the validity of the Strutinsky method [fr

  20. A self-consistent turbulence generated scenario for L-H transition

    International Nuclear Information System (INIS)

    Zhang, Y.Z.; Mahajan, S.M.

    1992-10-01

    The turbulence-induced ion banana polarization current associated with steep ion temperature gradients is explored as a possible mechanism for generating poloidal momentum at the tokamak edge. In the light of a recently developed two-dimensional turbulence theory, one can obtain a simple closed expression relating this current (determined by turbulence levels) to the derivatives of the poloidal rotation speed. A self-consistent system, then, emerges, if we balance the turbulence-induced poloidal momentum with that dissipated by viscosity. Under suitable conditions this system may show a bifurcation controlled by a parameter dependent on temperature gradients. Both the bifurcation point, and the shear layer width are predicted for a prescribed flow in terms of a scale characterizing the nonlinearity of viscosity. The crucial relevance of the flow parity with the turbulence scenario is analyzed

  1. Predicting intragranular misorientation distributions in polycrystalline metals using the viscoplastic self-consistent formulation

    DEFF Research Database (Denmark)

    Zecevic, Miroslav; Pantleon, Wolfgang; Lebensohn, Ricardo A.

    2017-01-01

    In a recent paper, we reported the methodology to calculate intragranular fluctuations in the instantaneous lattice rotation rates in polycrystalline materials within the mean-field viscoplastic self-consistent (VPSC) model. This paper is concerned with the time integration and subsequent use......, we calculate intragranular misorientations in face-centered cubic polycrystals deformed in tension and plane-strain compression. These predictions are tested by comparison with corresponding experiments for polycrystalline copper and aluminum, respectively, and with full-field calculations....... It is observed that at sufficiently high strains some grains develop large misorientations that may lead to grain fragmentation and/or act as driving forces for recrystallization. The proposed VPSC-based prediction of intragranular misorientations enables modeling of grain fragmentation, as well as a more...

  2. Self-consistent equilibrium in a cylindrical, dissipative reverse field pinch

    International Nuclear Information System (INIS)

    Guo, S.C.; Paccagnella, R.

    1994-01-01

    One of the authors (C.L.S.) recently proposed a dissipative model to self-consistently solve the equilibrium problem in a free-boundary plasma column under cylindrical symmetry. In the present paper, on one hand the problem is strongly specialized to circular symmetry and to Ohm's and Fourier's laws without off-diagonal contributions; on the other hand, it is generalized by adding a dynamo effective electric field E d in Ohm's law, based on the standard turbulent model. This seems appropriate enough to study RFP equilibria, since it is well known that a stationary and cylindrically symmetric RFP is incompatible with a classical Ohm's law. Reasonably, only numerical solutions are expected to be accessible in general; but the further simplified problem with scalar and constant electric resistivity and constant dynamo coefficient α (E d =αB) can be solved analytically by elementary means. (author) 4 refs., 2 figs

  3. Comparison of self-consistent calculations of the static polarizability of atoms and molecules

    International Nuclear Information System (INIS)

    Moullet, I.; Martins, J.L.

    1990-01-01

    The static dipole polarizabilities and other ground-state properties of H, H 2 , He, Na, and Na 2 are calculated using five different self-consistent schemes: Hartree--Fock, local spin density approximation, Hartree--Fock plus local density correlation, self-interaction-corrected local spin density approximation, and Hartree--Fock plus self-interaction-corrected local density correlation. The inclusion of the self-interaction corrected local spin density approximation in the Hartree--Fock method improves dramatically the calculated dissociation energies of molecules but has a small effect on the calculated polarizabilities. Correcting the local spin density calculations for self-interaction effects improves the calculated polarizability in the cases where the local spin density results are mediocre, and has only a small effect in the cases where the local spin density values are in reasonable agreement with experiment

  4. Self-consistent theory of charged current neutrino-nucleus reactions

    Energy Technology Data Exchange (ETDEWEB)

    Paar, Nils; Marketin, Tomislav; Vretenar, Dario [Physics Department, Faculty of Science, University Zagreb (Croatia); Ring, Peter [Physik-Department, Technischen Universitaet Muenchen, D-85748 Muenchen (Germany)

    2009-07-01

    A novel theoretical framework has been introduced for description of neutrino induced reactions with nuclei. The properties of target nuclei are determined in a self-consistent way using relativistic mean-field framework based on effective Lagrangians with density dependent meson-nucleon vertex functions. The weak lepton-hadron interaction is expressed in the standard current-current form, the nuclear ground state is described in the relativistic Hartree-Bogolyubov model, and the relevant transitions to excited nuclear states are calculated in the proton-neutron relativistic quasiparticle random phase approximation. This framework has been employed in studies of charged-current neutrino reactions involving nuclei of relevance for neutrino detectors, r-process nuclei, and neutrino-nucleus cross sections averaged over measured neutrino fluxes and supernova neutrino distributions.

  5. Particle-in-cell simulation of helical structure onset in plasma fiber with dust grains

    International Nuclear Information System (INIS)

    Kulhanek, Petr; Bren, David; Kaizr, Vaclav; Pasek, Jan

    2002-01-01

    Fully three dimensional PIC program package for the helical pinch numerical simulation was developed in our department. Both electromagnetic and gravitational interactions are incorporated into the model. Collisions are treated via Monte Carlo methods. The program package enabled to prove the conditions of onset of spiral and helical structures in the pinch

  6. Self-Consistent Generation of Primordial Continental Crust in Global Mantle Convection Models

    Science.gov (United States)

    Jain, C.; Rozel, A.; Tackley, P. J.

    2017-12-01

    We present the generation of primordial continental crust (TTG rocks) using self-consistent and evolutionary thermochemical mantle convection models (Tackley, PEPI 2008). Numerical modelling commonly shows that mantle convection and continents have strong feedbacks on each other. However in most studies, continents are inserted a priori while basaltic (oceanic) crust is generated self-consistently in some models (Lourenco et al., EPSL 2016). Formation of primordial continental crust happened by fractional melting and crystallisation in episodes of relatively rapid growth from late Archean to late Proterozoic eras (3-1 Ga) (Hawkesworth & Kemp, Nature 2006) and it has also been linked to the onset of plate tectonics around 3 Ga. It takes several stages of differentiation to generate Tonalite-Trondhjemite-Granodiorite (TTG) rocks or proto-continents. First, the basaltic magma is extracted from the pyrolitic mantle which is both erupted at the surface and intruded at the base of the crust. Second, it goes through eclogitic transformation and then partially melts to form TTGs (Rudnick, Nature 1995; Herzberg & Rudnick, Lithos 2012). TTGs account for the majority of the Archean continental crust. Based on the melting conditions proposed by Moyen (Lithos 2011), the feasibility of generating TTG rocks in numerical simulations has already been demonstrated by Rozel et al. (Nature, 2017). Here, we have developed the code further by parameterising TTG formation. We vary the ratio of intrusive (plutonic) and extrusive (volcanic) magmatism (Crisp, Volcanol. Geotherm. 1984) to study the relative volumes of three petrological TTG compositions as reported from field data (Moyen, Lithos 2011). Furthermore, we systematically vary parameters such as friction coefficient, initial core temperature and composition-dependent viscosity to investigate the global tectonic regime of early Earth. Continental crust can also be destroyed by subduction or delamination. We will investigate

  7. Self-consistent cluster theories for alloys with diagonal and off-diagonal disorder

    International Nuclear Information System (INIS)

    Gonis, A.; Garland, J.W.

    1978-01-01

    The molecular coherent-potential approximation (MCPA) and other, simpler cluster approximations for disordered alloys are studied both analytically and numerically for alloys with diagonal and off-diagonal disorder (ODD). First, the MCPA for alloys with only diagonal disorder is rederived within the interactor formalism of Blackman, Esterling, and Berk. This formalism, which simplifies the numerical implementation of the MCPA, is then used to generalize the MCPA so as to take account of ODD. It is shown that the analytic properties of the MCPA are preserved under this generalization. Also, two computationally simple cluster approximations, the self-consistent central-site approximation (SCCSA) and the self-consistent boundary-site approximation (SCBSA), are generalized to include the effects of ODD. It is shown that for one-dimensional systems with only nearest-neighbor hopping the SCBSA yields Green's functions which are identical to those given by the MCPA and thus are analytic, even in the presence of ODD. Finally, the results of numerical calculations are reported for one-dimensional systems with only nearest-neighbor hopping but with both diagonal and off-diagonal disorder. These calculations were performed using the single-site approximation of Blackman, Esterling, and Berk and three different cluster approximations: the multishell method previously proposed by the authors, the SCCSA, and the SCBSA. The results of these calculations are compared with exact results and with previous results obtained using the truncated t-matix approximation and the recent method of Kaplan and Gray. These comparisons suggest that the multishell method and the generalization of the SCBSA given in this paper are more efficient and accurate for the calculation of densities of states for systems with ODD. On the other hand, as expected, the SCCSA was found to yield severely nonanalytic results for the values of band parameters used

  8. Self-consistent treatment of electrostatics in molecular DNA braiding through external forces.

    Science.gov (United States)

    Lee, Dominic J

    2014-06-01

    In this paper we consider a physical system in which two DNA molecules braid about each other. The distance between the two molecular ends, on either side of the braid, is held at a distance much larger than supercoiling radius of the braid. The system is subjected to an external pulling force, and a moment that induces the braiding. In a model, developed for understanding such a system, we assume that each molecule can be divided into a braided and unbraided section. We also suppose that the DNA is nicked so that there is no constraint of the individual linking numbers of the molecules. Included in the model are steric and electrostatic interactions, thermal fluctuations of the braided and unbraided sections of the molecule, as well as the constraint on the braid linking (catenation) number. We compare two approximations used in estimating the free energy of the braided section. One is where the amplitude of undulations of one molecule with respect to the other is determined only by steric interactions. The other is a self-consistent determination of the mean-squared amplitude of these undulations. In this second approximation electrostatics should play an important role in determining this quantity, as suggested by physical arguments. We see that if the electrostatic interaction is sufficiently large there are indeed notable differences between the two approximations. We go on to test the self-consistent approximation-included in the full model-against experimental data for such a system, and we find good agreement. However, there seems to be a slight left-right-handed braid asymmetry in some of the experimental results. We discuss what might be the origin of this small asymmetry.

  9. Self-consistent Maxwell-Bloch theory of quantum-dot-population switching in photonic crystals

    International Nuclear Information System (INIS)

    Takeda, Hiroyuki; John, Sajeev

    2011-01-01

    We theoretically demonstrate the population switching of quantum dots (QD's), modeled as two-level atoms in idealized one-dimensional (1D) and two-dimensional (2D) photonic crystals (PC's) by self-consistent solution of the Maxwell-Bloch equations. In our semiclassical theory, energy states of the electron are quantized, and electron dynamics is described by the atomic Bloch equation, while electromagnetic waves satisfy the classical Maxwell equations. Near a waveguide cutoff in a photonic band gap, the local electromagnetic density of states (LDOS) and spontaneous emission rates exhibit abrupt changes with frequency, enabling large QD population inversion driven by both continuous and pulsed optical fields. We recapture and generalize this ultrafast population switching using the Maxwell-Bloch equations. Radiative emission from the QD is obtained directly from the surrounding PC geometry using finite-difference time-domain simulation of the electromagnetic field. The atomic Bloch equations provide a source term for the electromagnetic field. The total electromagnetic field, consisting of the external input and radiated field, drives the polarization components of the atomic Bloch vector. We also include a microscopic model for phonon dephasing of the atomic polarization and nonradiative decay caused by damped phonons. Our self-consistent theory captures stimulated emission and coherent feedback effects of the atomic Mollow sidebands, neglected in earlier treatments. This leads to remarkable high-contrast QD-population switching with relatively modest (factor of 10) jump discontinuities in the electromagnetic LDOS. Switching is demonstrated in three separate models of QD's placed (i) in the vicinity of a band edge of a 1D PC, (ii) near a cutoff frequency in a bimodal waveguide channel of a 2D PC, and (iii) in the vicinity of a localized defect mode side coupled to a single-mode waveguide channel in a 2D PC.

  10. Self-consistent imbedding and the ellipsoidal model model for porous rocks

    International Nuclear Information System (INIS)

    Korringa, J.; Brown, R.J.S.; Thompson, D.D.; Runge, R.J.

    1979-01-01

    Equations are obtained for the effective elastic moduli for a model of an isotropic, heterogeneous, porous medium. The mathematical model used for computation is abstract in that it is not simply a rigorous computation for a composite medium of some idealized geometry, although the computation contains individual steps which are just that. Both the solid part and pore space are represented by ellipsoidal or spherical 'grains' or 'pores' of various sizes and shapes. The strain of each grain, caused by external forces applied to the medium, is calculated in a self-consistent imbedding (SCI) approximation, which replaces the true surrounding of any given grain or pore by an isotropic medium defined by the effective moduli to be computed. The ellipsoidal nature of the shapes allows us to use Eshelby's theoretical treatment of a single ellipsoidal inclusion in an infiinte homogeneous medium. Results are compared with the literature, and discrepancies are found with all published accounts of this problem. Deviations from the work of Wu, of Walsh, and of O'Connell and Budiansky are attributed to a substitution made by these authors which though an identity for the exact quantities involved, is only approximate in the SCI calculation. This reduces the validity of the equations to first-order effects only. Differences with the results of Kuster and Toksoez are attributed to the fact that the computation of these authors is not self-consistent in the sense used here. A result seems to be the stiffening of the medium as if the pores are held apart. For spherical grains and pores, their calculated moduli are those given by the Hashin-Shtrikman upper bounds. Our calculation reproduces, in the case of spheres, an early result of Budiansky. An additional feature of our work is that the algebra is simpler than in earlier work. We also incorporate into the theory the possibility that fluid-filled pores are interconnected

  11. Electron beam charging of insulators: A self-consistent flight-drift model

    International Nuclear Information System (INIS)

    Touzin, M.; Goeuriot, D.; Guerret-Piecourt, C.; Juve, D.; Treheux, D.; Fitting, H.-J.

    2006-01-01

    Electron beam irradiation and the self-consistent charge transport in bulk insulating samples are described by means of a new flight-drift model and an iterative computer simulation. Ballistic secondary electron and hole transport is followed by electron and hole drifts, their possible recombination and/or trapping in shallow and deep traps. The trap capture cross sections are the Poole-Frenkel-type temperature and field dependent. As a main result the spatial distributions of currents j(x,t), charges ρ(x,t), the field F(x,t), and the potential slope V(x,t) are obtained in a self-consistent procedure as well as the time-dependent secondary electron emission rate σ(t) and the surface potential V 0 (t). For bulk insulating samples the time-dependent distributions approach the final stationary state with j(x,t)=const=0 and σ=1. Especially for low electron beam energies E 0 G of a vacuum grid in front of the target surface. For high beam energies E 0 =10, 20, and 30 keV high negative surface potentials V 0 =-4, -14, and -24 kV are obtained, respectively. Besides open nonconductive samples also positive ion-covered samples and targets with a conducting and grounded layer (metal or carbon) on the surface have been considered as used in environmental scanning electron microscopy and common SEM in order to prevent charging. Indeed, the potential distributions V(x) are considerably small in magnitude and do not affect the incident electron beam neither by retarding field effects in front of the surface nor within the bulk insulating sample. Thus the spatial scattering and excitation distributions are almost not affected

  12. PICs in the injector complex - what are we talking about?

    International Nuclear Information System (INIS)

    Hanke, K

    2014-01-01

    This presentation will identify PIC activities for the LHC injector chain, and point out borderline cases to pure consolidation and upgrade. The most important PIC items will be listed for each LIU project (PSB, PS, SPS) and categorized by a) the risk if not performed and b) the implications of doing them. This will in particular address the consequences on performance, schedule, reliability, commissioning time, operational complexity etc. The additional cost of PICs with regard to pure consolidation will be estimated and possible time lines for the implementation of the PICs will be discussed. In this context, it will be evaluated if the PICs can be implemented over several machine stops

  13. Designing Embedded Systems with PIC Microcontrollers Principles and Applications

    CERN Document Server

    Wilmshurst, Tim

    2009-01-01

    PIC microcontrollers are used worldwide in commercial and industrial devices. The 8-bit PIC which this book focuses on is a versatile work horse that completes many designs. An engineer working with applications that include a microcontroller will no doubt come across the PIC sooner rather than later. It is a must to have a working knowledge of this 8-bit technology. This book takes the novice from introduction of embedded systems through to advanced development techniques for utilizing and optimizing the PIC family of microcontrollers in your device. To truly understand the PIC, assembly and

  14. TreePics: visualizing trees with pictures

    Directory of Open Access Journals (Sweden)

    Nicolas Puillandre

    2017-09-01

    Full Text Available While many programs are available to edit phylogenetic trees, associating pictures with branch tips in an efficient and automatic way is not an available option. Here, we present TreePics, a standalone software that uses a web browser to visualize phylogenetic trees in Newick format and that associates pictures (typically, pictures of the voucher specimens to the tip of each branch. Pictures are visualized as thumbnails and can be enlarged by a mouse rollover. Further, several pictures can be selected and displayed in a separate window for visual comparison. TreePics works either online or in a full standalone version, where it can display trees with several thousands of pictures (depending on the memory available. We argue that TreePics can be particularly useful in a preliminary stage of research, such as to quickly detect conflicts between a DNA-based phylogenetic tree and morphological variation, that may be due to contamination that needs to be removed prior to final analyses, or the presence of species complexes.

  15. Self-consistent RPA calculations with Skyrme-type interactions: The skyrme_rpa program

    Science.gov (United States)

    Colò, Gianluca; Cao, Ligang; Van Giai, Nguyen; Capelli, Luigi

    2013-01-01

    Random Phase Approximation (RPA) calculations are nowadays an indispensable tool in nuclear physics studies. We present here a complete version implemented with Skyrme-type interactions, with the spherical symmetry assumption, that can be used in cases where the effects of pairing correlations and of deformation can be ignored. The full self-consistency between the Hartree-Fock mean field and the RPA excitations is enforced, and it is numerically controlled by comparison with energy-weighted sum rules. The main limitations are that charge-exchange excitations and transitions involving spin operators are not included in this version. Program summaryProgram title: skyrme_rpa (v 1.00) Catalogue identifier: AENF_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AENF_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5531 No. of bytes in distributed program, including test data, etc.: 39435 Distribution format: tar.gz Programming language: FORTRAN-90/95; easily downgradable to FORTRAN-77. Computer: PC with Intel Celeron, Intel Pentium, AMD Athlon and Intel Core Duo processors. Operating system: Linux, Windows. RAM: From 4 MBytes to 150 MBytes, depending on the size of the nucleus and of the model space for RPA. Word size: The code is written with a prevalent use of double precision or REAL(8) variables; this assures 15 significant digits. Classification: 17.24. Nature of problem: Systematic observations of excitation properties in finite nuclear systems can lead to improved knowledge of the nuclear matter equation of state as well as a better understanding of the effective interaction in the medium. This is the case of the nuclear giant resonances and low-lying collective excitations, which can be described as small amplitude collective motions in the framework of

  16. Nuclear charge-exchange excitations in a self-consistent covariant approach

    International Nuclear Information System (INIS)

    Liang, Haozhao

    2010-01-01

    Nowadays, charge-exchange excitations in nuclei become one of the central topics in nuclear physics and astrophysics. Basically, a systematic pattern of the energy and collectivity of these excitations could provide direct information on the spin and isospin properties of the in-medium nuclear interaction, and the equation of state of asymmetric nuclear matter. Furthermore, a basic and critical quantity in nuclear structure, neutron skin thickness, can be determined indirectly by the sum rule of spin-dipole resonances (SDR) or the excitation energy spacing between the isobaric analog states (IAS) and Gamow-Teller resonances (GTR). More generally, charge-exchange excitations allow one to attack other kinds of problems outside the realm of nuclear structure, like the description of neutron star and supernova evolutions, the β-decay of nuclei which lie on the r-process path of stellar nucleosynthesis, and the neutrino-nucleus cross sections. They also play an essential role in extracting the value of the Cabibbo-Kobayashi-Maskawa (CKM) matrix element V ud via the nuclear 0 + → 0 + superallowed Fermi β decays. For all these reasons, it is important to develop the microscopic theories of charge-exchange excitations and it is the main motivation of the present work. In this work, a fully self-consistent charge-exchange relativistic random phase approximation (RPA) based on the relativistic Hartree-Fock (RHF) approach is established. Its self-consistency is verified by the so-called IAS check. This approach is then applied to investigate the nuclear spin-isospin resonances, isospin symmetry-breaking corrections for the superallowed β decays, and the charged-current neutrino-nucleus cross sections. For two important spin-isospin resonances, GTR and SDR, it is shown that a very satisfactory agreement with the experimental data can be obtained without any readjustment of the energy functional. Furthermore, the isoscalar mesons are found to play an essential role in spin

  17. Self-Consistent Theory of Shot Noise Suppression in Ballistic Conductors

    Science.gov (United States)

    Bulashenko, O. M.; Rubí, J. M.; Kochelap, V. A.

    Shot-noise measurements become a fundamental tool to probe carrier interactions in mesoscopic systems [1]. A matter of particular interest is the significance of Coulomb interaction which may keep nearby electrons more regularly spaced rather than strictly at random and lead to the noise reduction. That effect occurs in different physical situations. Among them are charge-limited ballistic transport, resonant tunneling, single-electron tunneling, etc. In this communication we address the problem of Coulomb correlations in ballistic conductors under the space-charge-limited transport conditions, and present for the first time a semiclassical self-consistent theory of shot noise in these conductors by solving analytically the kinetic equation coupled self-consistently with a Poisson equation. Basing upon this theory, exact results for current noise in a two-terminal ballistic conductor under the action of long-range Coulomb correlations has been derived. The noise reduction factor (in respect to the uncorrelated value) is obtained in a closed analytical form for a full range of biases ranging from thermal to shot-noise limits which describe perfectly the results of the Monte Carlo simulations for a nondegenerate electron gas [2]. The magnitude of the noise reduction exceeds 0.01, which is of interest from the point of view of possible applications. Using these analytical results one may estimate a relative contribution to the noise from different groups of carriers (in energy space and/or real space) and to investigate in great detail the correlations between different groups of carriers. This leads us to suggest an electron energy spectroscopy experiment to probe the Coulomb correlations in ballistic conductors. Indeed, while the injected carriers are uncorrelated, those in the volume of the conductor are strongly correlated, as follows from the derived formulas for the fluctuation of the distribution function. Those correlations may be observed experimentally by

  18. PIC simulations of conical magnetically insulated transmission line with LTD generator: Transition from self-limited to load-limited flow

    Science.gov (United States)

    Liu, Laqun; Wang, Huihui; Guo, Fan; Zou, Wenkang; Liu, Dagang

    2017-04-01

    Based on the 3-dimensional Particle-In-Cell (PIC) code CHIPIC3D, with a new circuit boundary algorithm we developed, a conical magnetically insulated transmission line (MITL) with a 1.0-MV linear transformer driver (LTD) is explored numerically. The values of switch jitter time of LTD are critical parameters for the system, which are difficult to be measured experimentally. In this paper, these values are obtained by comparing the PIC results with experimental data of large diode-gap MITL. By decreasing the diode gap, we find that all PIC results agree well with experimental data only if MITL works on self-limited flow no matter how large the diode gap is. However, when the diode gap decreases to a threshold, the self-limited flow would transfer to a load-limited flow. In this situation, PIC results no longer agree with experimental data anymore due to the anode plasma expansion in the diode load. This disagreement is used to estimate the plasma expansion speed.

  19. Self-Consistent Model of Magnetospheric Electric Field, Ring Current, Plasmasphere, and Electromagnetic Ion Cyclotron Waves: Initial Results

    Science.gov (United States)

    Gamayunov, K. V.; Khazanov, G. V.; Liemohn, M. W.; Fok, M.-C.; Ridley, A. J.

    2009-01-01

    Further development of our self-consistent model of interacting ring current (RC) ions and electromagnetic ion cyclotron (EMIC) waves is presented. This model incorporates large scale magnetosphere-ionosphere coupling and treats self-consistently not only EMIC waves and RC ions, but also the magnetospheric electric field, RC, and plasmasphere. Initial simulations indicate that the region beyond geostationary orbit should be included in the simulation of the magnetosphere-ionosphere coupling. Additionally, a self-consistent description, based on first principles, of the ionospheric conductance is required. These initial simulations further show that in order to model the EMIC wave distribution and wave spectral properties accurately, the plasmasphere should also be simulated self-consistently, since its fine structure requires as much care as that of the RC. Finally, an effect of the finite time needed to reestablish a new potential pattern throughout the ionosphere and to communicate between the ionosphere and the equatorial magnetosphere cannot be ignored.

  20. Large Scale Earth's Bow Shock with Northern IMF as Simulated by PIC Code in Parallel with MHD Model

    Science.gov (United States)

    Baraka, Suleiman

    2016-06-01

    In this paper, we propose a 3D kinetic model (particle-in-cell, PIC) for the description of the large scale Earth's bow shock. The proposed version is stable and does not require huge or extensive computer resources. Because PIC simulations work with scaled plasma and field parameters, we also propose to validate our code by comparing its results with the available MHD simulations under same scaled solar wind (SW) and (IMF) conditions. We report new results from the two models. In both codes the Earth's bow shock position is found to be ≈14.8 R E along the Sun-Earth line, and ≈29 R E on the dusk side. Those findings are consistent with past in situ observations. Both simulations reproduce the theoretical jump conditions at the shock. However, the PIC code density and temperature distributions are inflated and slightly shifted sunward when compared to the MHD results. Kinetic electron motions and reflected ions upstream may cause this sunward shift. Species distributions in the foreshock region are depicted within the transition of the shock (measured ≈2 c/ ω pi for Θ Bn = 90° and M MS = 4.7) and in the downstream. The size of the foot jump in the magnetic field at the shock is measured to be (1.7 c/ ω pi ). In the foreshocked region, the thermal velocity is found equal to 213 km s-1 at 15 R E and is equal to 63 km s -1 at 12 R E (magnetosheath region). Despite the large cell size of the current version of the PIC code, it is powerful to retain macrostructure of planets magnetospheres in very short time, thus it can be used for pedagogical test purposes. It is also likely complementary with MHD to deepen our understanding of the large scale magnetosphere.

  1. LIDT-DD: A New Self-Consistent Debris Disc Model Including Radiation Pressure and Coupling Dynamical and Collisional Evolution

    Science.gov (United States)

    Kral, Q.; Thebault, P.; Charnoz, S.

    2014-01-01

    The first attempt at developing a fully self-consistent code coupling dynamics and collisions to study debris discs (Kral et al. 2013) is presented. So far, these two crucial mechanisms were studied separately, with N-body and statistical collisional codes respectively, because of stringent computational constraints. We present a new model named LIDT-DD which is able to follow over long timescales the coupled evolution of dynamics (including radiation forces) and collisions in a self-consistent way.

  2. Self consistent solution of the tJ model in the overdoped regime

    Science.gov (United States)

    Shastry, B. Sriram; Hansen, Daniel

    2013-03-01

    Detailed results from a recent microscopic theory of extremely correlated Fermi liquids, applied to the t-J model in two dimensions, are presented. The theory is to second order in a parameter λ, and is valid in the overdoped regime of the tJ model. The solution reported here is from Ref, where relevant equations given in Ref are self consistently solved for the square lattice. Thermodynamic variables and the resistivity are displayed at various densities and T for two sets of band parameters. The momentum distribution function and the renormalized electronic dispersion, its width and asymmetry are reported along principal directions of the zone. The optical conductivity is calculated. The electronic spectral function A (k , ω) probed in ARPES, is detailed with different elastic scattering parameters to account for the distinction between LASER and synchrotron ARPES. A high (binding) energy waterfall feature, sensitively dependent on the band hopping parameter t' is noted. This work was supported by DOE under Grant No. FG02-06ER46319.

  3. Self-consistent Random Phase Approximation applied to a schematic model of the field theory

    International Nuclear Information System (INIS)

    Bertrand, Thierry

    1998-01-01

    The self-consistent Random Phase Approximation (SCRPA) is a method allowing in the mean-field theory inclusion of the correlations in the ground and excited states. It has the advantage of not violating the Pauli principle in contrast to RPA, that is based on the quasi-bosonic approximation; in addition, numerous applications in different domains of physics, show a possible variational character. However, the latter should be formally demonstrated. The first model studied with SCRPA is the anharmonic oscillator in the region where one of its symmetries is spontaneously broken. The ground state energy is reproduced by SCRPA more accurately than RPA, with no violation of the Ritz variational principle, what is not the case for the latter approximation. The success of SCRPA is the the same in case of ground state energy for a model mixing bosons and fermions. At the transition point the SCRPA is correcting RPA drastically, but far from this region the correction becomes negligible, both methods being of similar precision. In the deformed region in the case of RPA a spurious mode occurred due to the microscopical character of the model.. The SCRPA may also reproduce this mode very accurately and actually it coincides with an excitation in the exact spectrum

  4. On the Time Evolution of Gamma-Ray Burst Pulses: A Self-Consistent Description.

    Science.gov (United States)

    Ryde; Svensson

    2000-01-20

    For the first time, the consequences of combining two well-established empirical relations that describe different aspects of the spectral evolution of observed gamma-ray burst (GRB) pulses are explored. These empirical relations are (1) the hardness-intensity correlation and (2) the hardness-photon fluence correlation. From these we find a self-consistent, quantitative, and compact description for the temporal evolution of pulse decay phases within a GRB light curve. In particular, we show that in the case in which the two empirical relations are both valid, the instantaneous photon flux (intensity) must behave as 1&solm0;&parl0;1+t&solm0;tau&parr0;, where tau is a time constant that can be expressed in terms of the parameters of the two empirical relations. The time evolution is fully defined by two initial constants and two parameters. We study a complete sample of 83 bright GRB pulses observed by the Compton Gamma-Ray Observatory and identify a major subgroup of GRB pulses ( approximately 45%) which satisfy the spectral-temporal behavior described above. In particular, the decay phase follows a reciprocal law in time. It is unclear what physics causes such a decay phase.

  5. Self-consistent quasi-static radial transport during the substorm growth phase

    Science.gov (United States)

    Le Contel, O.; Pellat, R.; Roux, A.

    2000-06-01

    We develop a self-consistent description of the slowly changing magnetic configuration of the near-Earth plasma sheet (NEPS) during substorm growth phase. This new approach is valid for quasi-static fluctuations ωcurrent. The quasi-neutrality condition (QNC) is solved via an expansion in the small parameter Te/Ti (Te/Ti is the ratio between the electronic and ionic temperatures). To the lowest order in Te/Ti, we find that the enforcement of QNC implies the presence of a global electrostatic potential which is constant for a given magnetic field line but varies across the magnetic field. The corresponding electric field shields the effect of the inductive component of the electric field, thereby producing a partial reduction of the motion that would correspond to the inductive electric field. Furthermore, we show that enforcing the QNC implies a field-aligned potential drop which is computed to the next order in Te/Ti in a companion paper [Le Contel et al., this issue]. In the present paper, we show that the direction of the azimuthal electric field varies along the field line, thus the equatorial electric field cannot be mapped onto the ionosphere. Furthermore during the growth phase, the (total) azimuthal electric field is directed eastward, close to the equator, and westward, off-equator. Thus large equatorial pitch angle particles drift tailward, whereas small pitch angle particles drift earthward.

  6. Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals

    International Nuclear Information System (INIS)

    Kutepov, A. L.

    2017-01-01

    We present a code implementing the linearized self-consistent quasiparticle GW method (QSGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing implementations of the QSGW method. The linearization allows us to use Matsubara frequencies instead of working on the real axis. This results in efficiency gains by switching to the imaginary time representation in the same way as in the space time method. The all electron LAPW basis set eliminates the need for pseudopotentials. We discuss the advantages of our approach, such as its N 3 scaling with the system size N, as well as its shortcomings. We apply our approach to study the electronic properties of selected semiconductors, insulators, and simple metals and show that our code produces the results very close to the previously published QSGW data. Our implementation is a good platform for further many body diagrammatic resummations such as the vertex-corrected GW approach and the GW+DMFT method.

  7. Self-consistent spectral function for non-degenerate Coulomb systems and analytic scaling behaviour

    International Nuclear Information System (INIS)

    Fortmann, Carsten

    2008-01-01

    Novel results for the self-consistent single-particle spectral function and self-energy are presented for non-degenerate one-component Coulomb systems at various densities and temperatures. The GW (0) -method for the dynamical self-energy is used to include many-particle correlations beyond the quasi-particle approximation. The self-energy is analysed over a broad range of densities and temperatures (n = 10 17 cm -3 -10 27 cm -3 , T = 10 2 eV/k B -10 4 eV/k B ). The spectral function shows a systematic behaviour, which is determined by collective plasma modes at small wavenumbers and converges towards a quasi-particle resonance at higher wavenumbers. In the low density limit, the numerical results comply with an analytic scaling law that is presented for the first time. It predicts a power-law behaviour of the imaginary part of the self-energy, ImΣ ∼ -n 1/4 . This resolves a long time problem of the quasi-particle approximation which yields a finite self-energy at vanishing density

  8. Self-consistent simulation of the CSR effect on beam emittance

    CERN Document Server

    Li, R

    1999-01-01

    When a microbunch with high charge traverses a curved trajectory, the curvature-induced Coherent Synchrotron Radiation (CSR) and space-charge forces may cause serious emittance degradation. Earlier analyses based on rigid-line charge model are helpful in understanding the mechanism of this curvature-induced bunch self-interaction. In reality, however, the bunch has finite transverse size and its dynamics respond to the CSR force. In this paper, we present the first self-consistent simulation for the study of the impact of CSR on beam optics. With the bunch represented by a set of macroparticles, the dynamics of the bunch under the influence of the CSR force are simulated, where the CSR force in turn depends on the history of bunch charge distribution and current density in accordance to causality. This simulation is bench-marked with previous analytical results for a rigid-line bunch. The algorithm applied in the simulation will be presented, along with the simulation results obtained for bending systems in t...

  9. Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework

    Science.gov (United States)

    Cunningham, Brian; Grüning, Myrta; Azarhoosh, Pooya; Pashov, Dimitar; van Schilfgaarde, Mark

    2018-03-01

    We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B 76, 165106 (2007), 10.1103/PhysRevB.76.165106] for the electronic structure with the solution of the ladder approximation to the Bethe-Salpeter equation for the macroscopic dielectric function. The solution of the Bethe-Salpeter equation has been implemented within an all-electron framework, using a linear muffin-tin orbital basis set, with the contribution from the nonlocal self-energy to the transition dipole moments (in the optical limit) evaluated explicitly. This approach addresses those systems whose electronic structure is poorly described within the standard perturbative GW approaches with density-functional theory calculations as a starting point. The merits of this approach have been exemplified by calculating optical absorption spectra of a strongly correlated transition metal oxide, NiO, and a narrow gap semiconductor, Ge. In both cases, the calculated spectrum is in good agreement with the experiment. It is also shown that for systems whose electronic structure is well-described within the standard perturbative GW , such as Si, LiF, and h -BN , the performance of the present approach is in general comparable to the standard GW plus Bethe-Salpeter equation. It is argued that both vertex corrections to the electronic screening and the electron-phonon interaction are responsible for the observed systematic overestimation of the fundamental band gap and spectrum onset.

  10. Self-Consistent Atmosphere Models of the Most Extreme Hot Jupiters

    Science.gov (United States)

    Lothringer, Joshua; Barman, Travis

    2018-01-01

    We present a detailed look at self-consistent PHOENIX atmosphere models of the most highly irradiated hot Jupiters known to exist. These hot Jupiters typically have equilibrium temperatures approaching and sometimes exceeding 3000 K, orbiting A, F, and early-G type stars on orbits less than 0.03 AU (10x closer than Mercury is to the Sun). The most extreme example, KELT-9b, is the hottest known hot Jupiter with a measured dayside temperature of 4600 K. Many of the planets we model have recently attracted attention with high profile discoveries, including temperature inversions in WASP-33b and WASP-121, changing phase curve offsets possibly caused by magnetohydrodymanic effects in HAT-P-7b, and TiO in WASP-19b. Our modeling provides a look at the a priori expectations for these planets and helps us understand these recent discoveries. We show that, in the hottest cases, all molecules are dissociated down to relatively high pressures. These planets may have detectable temperature inversions, more akin to thermospheres than stratospheres in that an optical absorber like TiO or VO is not needed. Instead, the inversions are created by a lack of cooling in the IR combined with heating from atoms and ions at UV and blue optical wavelengths. We also reevaluate some of the assumptions that have been made in retrieval analyses of these planets.

  11. Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

    Energy Technology Data Exchange (ETDEWEB)

    Lyutorovich, N.; Tselyaev, V. [Physical Faculty, St. Petersburg State University, RU-198504 St. Petersburg (Russian Federation); Speth, J., E-mail: J.Speth@fz-juelich.de [Institut für Kernphysik, Forschungszentrum Jülich, D-52425 Jülich (Germany); Krewald, S.; Grümmer, F. [Institut für Kernphysik, Forschungszentrum Jülich, D-52425 Jülich (Germany); Reinhard, P.-G. [Institut für Theoretische Physik II, Universität Erlangen-Nürnberg, D-91058 Erlangen (Germany)

    2015-10-07

    We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree–Fock ground state and the excitation spectra within random-phase approximation (RPA) and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA). All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.

  12. Self-consistent nonlocal feedback theory for electrocatalytic swimmers with heterogeneous surface chemical kinetics

    Science.gov (United States)

    Nourhani, Amir; Crespi, Vincent H.; Lammert, Paul E.

    2015-06-01

    We present a self-consistent nonlocal feedback theory for the phoretic propulsion mechanisms of electrocatalytic micromotors or nanomotors. These swimmers, such as bimetallic platinum and gold rods catalyzing decomposition of hydrogen peroxide in aqueous solution, have received considerable theoretical attention. In contrast, the heterogeneous electrochemical processes with nonlocal feedback that are the actual "engines" of such motors are relatively neglected. We present a flexible approach to these processes using bias potential as a control parameter field and a locally-open-circuit reference state, carried through in detail for a spherical motor. While the phenomenological flavor makes meaningful contact with experiment easier, required inputs can also conceivably come from, e.g., Frumkin-Butler-Volmer kinetics. Previously obtained results are recovered in the weak-heterogeneity limit and improved small-basis approximations tailored to structural heterogeneity are presented. Under the assumption of weak inhomogeneity, a scaling form is deduced for motor speed as a function of fuel concentration and swimmer size. We argue that this form should be robust and demonstrate a good fit to experimental data.

  13. How important is self-consistency for the dDsC density dependent dispersion correction?

    Energy Technology Data Exchange (ETDEWEB)

    Brémond, Éric; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch [Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Golubev, Nikolay [Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Department of Chemistry, M. V. Lomonosov Moscow State University, Moscow 119991 (Russian Federation); Steinmann, Stephan N., E-mail: sns25@duke.edu [Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Department of Chemistry, Duke University, Durham, North Carolina 27708 (United States)

    2014-05-14

    The treatment of dispersion interactions is ubiquitous but computationally demanding for seamless ab initio approaches. A highly popular and simple remedy consists in correcting for the missing interactions a posteriori by adding an attractive energy term summed over all atom pairs to standard density functional approximations. These corrections were originally based on atom pairwise parameters and, hence, had a strong touch of empiricism. To overcome such limitations, we recently proposed a robust system-dependent dispersion correction, dDsC, that is computed from the electron density and that provides a balanced description of both weak inter- and intramolecular interactions. From the theoretical point of view and for the sake of increasing reliability, we here verify if the self-consistent implementation of dDsC impacts ground-state properties such as interaction energies, electron density, dipole moments, geometries, and harmonic frequencies. In addition, we investigate the suitability of the a posteriori scheme for molecular dynamics simulations, for which the analysis of the energy conservation constitutes a challenging tests. Our study demonstrates that the post-SCF approach in an excellent approximation.

  14. A self-consistent mean-field approach to the dynamical symmetry breaking

    International Nuclear Information System (INIS)

    Kunihiro, Teiji; Hatsuda, Tetsuo.

    1984-01-01

    The dynamical symmetry breaking phenomena in the Nambu and Jona-Lasimio model are reexamined in the framework of a self-consistent mean-field (SCMF) theory. First, we formulate the SCMF theory in a lucid manner based on a successful decomposition of the Lagrangian into semiclassical and residual interaction parts by imposing a condition that ''the dangerous term'' in Bogoliubov's sense should vanish. Then, we show that the difference of the energy density between the super and normal phases, the correct expression of which the original authors failed to give, can be readily obtained by applying the SCMF theory. Futhermore, it is shown that the expression thus obtained is identical to that of the effective potential (E.P.) given by the path-integral method with an auxiliary field up to the one loop order in the loop expansion, then one finds a new and simple way to get the E.P. Some numerical results of the E.P. and the dynamically generated mass of fermion are also shown. As another demonstration of the powerfulness of the SCMF theory, we derive, in the Appendix, the energy density of the O(N)-phi 4 model including the higher order corrections in the sense of large N expansion. (author)

  15. Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding.

    Science.gov (United States)

    Kowalczyk, Tim; Le, Khoa; Irle, Stephan

    2016-01-12

    We present an implementation of energies and gradients for the ΔDFTB method, an analogue of Δ-self-consistent-field density functional theory (ΔSCF) within density-functional tight-binding, for the lowest singlet excited state of closed-shell molecules. Benchmarks of ΔDFTB excitation energies, optimized geometries, Stokes shifts, and vibrational frequencies reveal that ΔDFTB provides a qualitatively correct description of changes in molecular geometries and vibrational frequencies due to excited-state relaxation. The accuracy of ΔDFTB Stokes shifts is comparable to that of ΔSCF-DFT, and ΔDFTB performs similarly to ΔSCF with the PBE functional for vertical excitation energies of larger chromophores where the need for efficient excited-state methods is most urgent. We provide some justification for the use of an excited-state reference density in the DFTB expansion of the electronic energy and demonstrate that ΔDFTB preserves many of the properties of its parent ΔSCF approach. This implementation fills an important gap in the extended framework of DFTB, where access to excited states has been limited to the time-dependent linear-response approach, and affords access to rapid exploration of a valuable class of excited-state potential energy surfaces.

  16. Higher order alchemical derivatives from coupled perturbed self-consistent field theory.

    Science.gov (United States)

    Lesiuk, Michał; Balawender, Robert; Zachara, Janusz

    2012-01-21

    We present an analytical approach to treat higher order derivatives of Hartree-Fock (HF) and Kohn-Sham (KS) density functional theory energy in the Born-Oppenheimer approximation with respect to the nuclear charge distribution (so-called alchemical derivatives). Modified coupled perturbed self-consistent field theory is used to calculate molecular systems response to the applied perturbation. Working equations for the second and the third derivatives of HF/KS energy are derived. Similarly, analytical forms of the first and second derivatives of orbital energies are reported. The second derivative of Kohn-Sham energy and up to the third derivative of Hartree-Fock energy with respect to the nuclear charge distribution were calculated. Some issues of practical calculations, in particular the dependence of the basis set and Becke weighting functions on the perturbation, are considered. For selected series of isoelectronic molecules values of available alchemical derivatives were computed and Taylor series expansion was used to predict energies of the "surrounding" molecules. Predicted values of energies are in unexpectedly good agreement with the ones computed using HF/KS methods. Presented method allows one to predict orbital energies with the error less than 1% or even smaller for valence orbitals. © 2012 American Institute of Physics

  17. Self-consistent simulation study on magnetized inductively coupled plasma for 450 mm semiconductor wafer processing

    International Nuclear Information System (INIS)

    Lee, Ho-Jun; Kim, Yun-Gi

    2012-01-01

    The characteristics of weakly magnetized inductively coupled plasma (MICP) are investigated using a self-consistent simulation based on the drift–diffusion approximation with anisotropic transport coefficients. MICP is a plasma source utilizing the cavity mode of the low-frequency branch of the right-hand circularly polarized wave. The model system is 700 mm in diameter and has a 250 mm gap between the radio-frequency window and wafer holder. The model chamber size is chosen to verify the applicability of this type of plasma source to the 450 mm wafer process. The effects of electron density distribution and external axial magnetic field on the propagation properties of the plasma wave, including the wavelength modulation and refraction toward the high-density region, are demonstrated. The restricted electron transport and thermal conductivity in the radial direction due to the magnetic field result in small temperature gradient along the field lines and off-axis peak density profile. The calculated impedance seen from the antenna terminal shows that MICP has a resistance component that is two to threefold higher than that of ICP. This property is practically important for large-size, low-pressure plasma sources because high resistance corresponds to high power-transfer efficiency and stable impedance matching characteristics. For the 0.665 Pa argon plasma, MICP shows a radial density uniformity of 6% within 450 mm diameter, which is much better than that of nonmagnetized ICP.

  18. Self-consistent Study of Fast Particle Redistribution by Alfven Eigenmodes During Ion Cyclotron Resonance Heating

    International Nuclear Information System (INIS)

    Bergkvist, T.; Hellsten, T.; Johnson, T.

    2006-01-01

    Alfven eigenmodes (AEs) excited by fusion born α particles can degrade the heating efficiency of a burning plasma and throw out αs. To experimentally study the effects of excitation of AEs and the redistribution of the fast ions, ion cyclotron resonance heating (ICRH) is often used. The distribution function of thermonuclear αs in a reactor is expected to be isotropic and constantly renewed through DT reactions. The distribution function of cyclotron heated ions is strongly anisotropic, and the ICRH do not only renew the distribution function but also provide a strong decorrelation mechanism between the fast ions and the AE. Because of the sensitivity of the AE dynamics on the details of the distribution function, the location of the resonance surfaces in phase space and the extent of the overlapping resonant regions for different AEs, a self-consistent treatment of the AE excitation and the ICRH is necessary. Interactions of fast ions with AEs during ICRH has been implemented in the SELFO code. Simulations are in good agreement with the experimentally observer pitch-fork splitting and rapid damping of the AE as ICRH is turned off. The redistribution of fast ions have been studied in the presence of several driven AEs. (author)

  19. A self-consistent nonlinear theory of resistive-wall instability in a relativistic electron beam

    International Nuclear Information System (INIS)

    Uhm, H.S.

    1994-01-01

    A self-consistent nonlinear theory of resistive-wall instability is developed for a relativistic electron beam propagating through a grounded cylindrical resistive tube. The theory is based on the assumption that the frequency of the resistive-wall instability is lower than the cutoff frequency of the waveguide. The theory is concentrated on study of the beam current modulation directly related to the resistive-wall klystron, in which a relativistic electron beam is modulated at the first cavity and propagates downstream through the resistive wall. Because of the self-excitation of the space charge waves by the resistive-wall instability, a highly nonlinear current modulation of the electron beam is accomplished as the beam propagates downstream. A partial integrodifferential equation is obtained in terms of the initial energy modulation (ε), the self-field effects (h), and the resistive-wall effects (κ). Analytically investigating the partial integrodifferential equation, a scaling law of the propagation distance z m at which the maximum current modulation occurs is obtained. It is found in general that the self-field effects dominate over the resistive-wall effects at the beginning of the propagation. As the beam propagates farther downstream, the resistive-wall effects dominate. Because of a relatively large growth rate of the instability, the required tube length of the klystron is short for most applications

  20. Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach

    Directory of Open Access Journals (Sweden)

    N. Lyutorovich

    2015-10-01

    Full Text Available We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree–Fock ground state and the excitation spectra within random-phase approximation (RPA and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA. All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.