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

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

Self-Consistant Numerical Modeling of E-Cloud Driven Instability of a Bunch Train in the CERN SPS

International Nuclear Information System (INIS)

Vay, J.-L.; Furman, M.A.; Secondo, R.; Venturini, M.; Fox, J.D.; Rivetta, C.H.

2010-01-01

The simulation package WARP-POSINST was recently upgraded for handling multiple bunches and modeling concurrently the electron cloud buildup and its effect on the beam, allowing for direct self-consistent simulation of bunch trains generating, and interacting with, electron clouds. We have used the WARP-POSINST package on massively parallel supercomputers to study the growth rate and frequency patterns in space-time of the electron cloud driven transverse instability for a proton bunch train in the CERN SPS accelerator. Results suggest that a positive feedback mechanism exists between the electron buildup and the e-cloud driven transverse instability, leading to a net increase in predicted electron density. Comparisons to selected experimental data are also given. Electron clouds have been shown to trigger fast growing instabilities on proton beams circulating in the SPS and other accelerators. So far, simulations of electron cloud buildup and their effects on beam dynamics have been performed separately. This is a consequence of the large computational cost of the combined calculation due to large space and time scale disparities between the two processes. We have presented the latest improvements of the simulation package WARP-POSINST for the simulation of self-consistent ecloud effects, including mesh refinement, and generation of electrons from gas ionization and impact at the pipe walls. We also presented simulations of two consecutive bunches interacting with electrons clouds in the SPS, which included generation of secondary electrons. The distribution of electrons in front of the first beam was initialized from a dump taken from a preceding buildup calculation using the POSINST code. In this paper, we present an extension of this work where one full batch of 72 bunches is simulated in the SPS, including the entire buildup calculation and the self-consistent interaction between the bunches and the electrons. Comparisons to experimental data are also given.

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)

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.

Numerical simulation on self-regulating characteristics of a cold neutron source with a closed-thermosiphon

International Nuclear Information System (INIS)

Kawai, Takeshi; Utsuro, Masahiko; Okamoto, Sunao

1989-01-01

A cold neutron source (CNS) having a closed-thermosiphon cooling loop shows a characteristic of self-regulation to the heat load fluctuations if the moderator transfer tube fulfills certain conditions. A dynamical equation of the closed-thermosiphon type CNS having such a property has been presented on the basis of the non-equilibrium thermodynamics. Kyoto University Reactor (KUR) CNS is investigated by numerical simulation of this equation. The numerical predictions for the self-regulating characteristics are in agreement with available experimental data. (author)

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

Unsteady numerical simulation for gas–liquid two-phase flow in self-priming process of centrifugal pump

International Nuclear Information System (INIS)

Huang, Si; Su, Xianghui; Guo, Jing; Yue, Le

2014-01-01

Highlights: • The transient gas–liquid two-phase flow fields in the self-priming centrifugal pump are simulated. • The self-priming time and performance are estimated. • The air void fraction and two phase distribution are obtained.· The hole on the volute plays a significant role for gas exhausting. • The frequency of the impulsive pressure basically conforms to that of the air exhausted out of the pump. - Abstract: Self-priming pumps start up without pre-irrigation, and then work as common pumps when air in the pump is exhausted. The transient gas–liquid flow at the start-up stage inside a self-priming pump is an interesting process which greatly influences performance of the pump. In this paper, a conventional vertical self-priming centrifugal pump was selected as the object. Using unsteady numerical simulation, the authors investigated the transient gas–liquid two-phase flow in the self-priming centrifugal pump during the self-priming process. The main innovation in the simulation was that a section of the suction pipe filled with air was set as the initial condition, which conformed to the actual self-priming conditions. The gas–liquid two-phase distribution, the pressure and velocity in relation to time were computed and analyzed. Flow rates of both phases with time at the pump inlet and outlet were obtained based on the simulation, which could be used to estimate the self-priming time and other performance parameters. Finally, the numerical method and results for gas–liquid two-phase flow in the self-priming pump was partly validated by the pump performance test

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

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.

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.

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)

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

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

Two-fluid Numerical Simulations of Solar Spicules

Energy Technology Data Exchange (ETDEWEB)

Kuźma, Błażej; Murawski, Kris; Kayshap, Pradeep; Wójcik, Darek [Group of Astrophysics, University of Maria Curie-Skłodowska, ul. Radziszewskiego 10, 20-031 Lublin (Poland); Srivastava, Abhishek Kumar; Dwivedi, Bhola N., E-mail: blazejkuzma1@gmail.com [Department of Physics, Indian Institute of Technology (BHU), Varanasi-221005 (India)

2017-11-10

We aim to study the formation and evolution of solar spicules by means of numerical simulations of the solar atmosphere. With the use of newly developed JOANNA code, we numerically solve two-fluid (for ions + electrons and neutrals) equations in 2D Cartesian geometry. We follow the evolution of a spicule triggered by the time-dependent signal in ion and neutral components of gas pressure launched in the upper chromosphere. We use the potential magnetic field, which evolves self-consistently, but mainly plays a passive role in the dynamics. Our numerical results reveal that the signal is steepened into a shock that propagates upward into the corona. The chromospheric cold and dense plasma lags behind this shock and rises into the corona with a mean speed of 20–25 km s{sup −1}. The formed spicule exhibits the upflow/downfall of plasma during its total lifetime of around 3–4 minutes, and it follows the typical characteristics of a classical spicule, which is modeled by magnetohydrodynamics. The simulated spicule consists of a dense and cold core that is dominated by neutrals. The general dynamics of ion and neutral spicules are very similar to each other. Minor differences in those dynamics result in different widths of both spicules with increasing rarefaction of the ion spicule in time.

Numerical simulation and comparison of nonlinear self-focusing based on iteration and ray tracing

Science.gov (United States)

Li, Xiaotong; Chen, Hao; Wang, Weiwei; Ruan, Wangchao; Zhang, Luwei; Cen, Zhaofeng

2017-05-01

Self-focusing is observed in nonlinear materials owing to the interaction between laser and matter when laser beam propagates. Some of numerical simulation strategies such as the beam propagation method (BPM) based on nonlinear Schrödinger equation and ray tracing method based on Fermat's principle have applied to simulate the self-focusing process. In this paper we present an iteration nonlinear ray tracing method in that the nonlinear material is also cut into massive slices just like the existing approaches, but instead of paraxial approximation and split-step Fourier transform, a large quantity of sampled real rays are traced step by step through the system with changing refractive index and laser intensity by iteration. In this process a smooth treatment is employed to generate a laser density distribution at each slice to decrease the error caused by the under-sampling. The characteristics of this method is that the nonlinear refractive indices of the points on current slice are calculated by iteration so as to solve the problem of unknown parameters in the material caused by the causal relationship between laser intensity and nonlinear refractive index. Compared with the beam propagation method, this algorithm is more suitable for engineering application with lower time complexity, and has the calculation capacity for numerical simulation of self-focusing process in the systems including both of linear and nonlinear optical media. If the sampled rays are traced with their complex amplitudes and light paths or phases, it will be possible to simulate the superposition effects of different beam. At the end of the paper, the advantages and disadvantages of this algorithm are discussed.

Electronic structure of thin films by the self-consistent numerical-basis-set linear combination of atomic orbitals method: Ni(001)

International Nuclear Information System (INIS)

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

1979-01-01

We present the self-consistent numerical-basis-set linear combination of atomic orbitals (LCAO) discrete variational method for treating the electronic structure of thin films. As in the case of bulk solids, this method provides for thin films accurate solutions of the one-particle local density equations with a non-muffin-tin potential. Hamiltonian and overlap matrix elements are evaluated accurately by means of a three-dimensional numerical Diophantine integration scheme. Application of this method is made to the self-consistent solution of one-, three-, and five-layer Ni(001) unsupported films. The LCAO Bloch basis set consists of valence orbitals (3d, 4s, and 4p states for transition metals) orthogonalized to the frozen-core wave functions. The self-consistent potential is obtained iteratively within the superposition of overlapping spherical atomic charge density model with the atomic configurations treated as adjustable parameters. Thus the crystal Coulomb potential is constructed as a superposition of overlapping spherically symmetric atomic potentials and, correspondingly, the local density Kohn-Sham (α = 2/3) potential is determined from a superposition of atomic charge densities. At each iteration in the self-consistency procedure, the crystal charge density is evaluated using a sampling of 15 independent k points in (1/8)th of the irreducible two-dimensional Brillouin zone. The total density of states (DOS) and projected local DOS (by layer plane) are calculated using an analytic linear energy triangle method (presented as an Appendix) generalized from the tetrahedron scheme for bulk systems. Distinct differences are obtained between the surface and central plane local DOS. The central plane DOS is found to converge rapidly to the DOS of bulk paramagnetic Ni obtained by Wang and Callaway. Only a very small surplus charge (0.03 electron/atom) is found on the surface planes, in agreement with jellium model calculations

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.

Self-Organization Observed in Numerical Simulations of a Hard-Core Diffuse Z Pinch

International Nuclear Information System (INIS)

Makhin, V; Siemon, R E; Bauer, B S; Esaulov, A; Lindemuth, I R; Ryutov, D D; Sheehey, P T; Sotnikov, V I

2005-04-01

The evolution of an unstable plasma profile into a stable profile, which we term self-organization, appears to be a robust process. Although it was not termed self organization, the same effect has been noted in past simulations with the same code. The result has been made easier to discern by the introduction of z-averaged profiles. A recent report of PIC simulations in the hard-core z-pinch configuration also shows self-organization. Figures 3 and 4 in Reference 21 show how pressure profiles in a low-β PIC simulation relax from unstable to stable. The non-linear evolution of the interchange motion has been studied under controlled initial conditions that result in exponential growth of a mode with a prescribed axial wavelength. An interesting feature of such growth is an abrupt transition from coherent to incoherent motion, after which the z-averaged pressure, current, and temperature profiles become quasi stationary. According to our understanding of MAGO experiments, the observed plasma behavior is consistent with the expectation of self-organization, but the diagnostics are not sufficiently detailed thus far to make a definite conclusion. The results of this simulations reported in this paper add motivation to planned experiments on an inverse pinch at UNR

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.

Numerical simulations of self-pinched transport of intense ion beams in low-pressure gases

International Nuclear Information System (INIS)

Rose, D.V.; Ottinger, P.F.; Welch, D.R.; Oliver, B.V.; Olson, C.L.

1999-01-01

The self-pinched transport of intense ion beams in low-pressure background gases is studied using numerical simulations and theoretical analysis. The simulations are carried out in a parameter regime that is similar to proton beam experiments being fielded on the Gamble II pulsed power generator [J. D. Shipman, Jr., IEEE Trans. Nucl. Sci. NS-18, 243 (1971)] at the Naval Research Laboratory. Simulation parameter variations provide information on scaling with background gas species, gas pressure, beam current, beam energy, injection angles, and boundaries. The simulation results compare well with simple analytic scaling arguments for the gas pressure at which the effective net current should peak and with estimates for the required confinement current. The analysis indicates that the self-pinched transport of intense proton beams produced on Gamble II (1.5 MeV, 100 kA, 3 cm radius) is expected to occur at gas pressures between 30 and 80 mTorr of He or between 3 and 10 mTorr of Ar. The significance of these results to ion-driven inertial confinement fusion is discussed. copyright 1999 American Institute of Physics

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

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

Numerical simulation in astrophysics

International Nuclear Information System (INIS)

Miyama, Shoken

1985-01-01

There have been many numerical simulations of hydrodynamical problems in astrophysics, e.g. processes of star formation, supernova explosion and formation of neutron stars, and general relativistic collapse of star to form black hole. The codes are made to be suitable for computing such problems. In astrophysical hydrodynamical problems, there are the characteristics: problems of self-gravity or external gravity acting, objects of scales very large or very short, objects changing by short period or long time scale, problems of magnetic force and/or centrifugal force acting. In this paper, we present one of methods of numerical simulations which may satisfy these requirements, so-called smoothed particle methods. We then introduce the methods briefly. Then, we show one of the applications of the methods to astrophysical problem (fragmentation and collapse of rotating isothermal cloud). (Mori, K.)

Numerical simulation of a bubble rising in an environment consisting of Xanthan gum

Science.gov (United States)

Aguirre, Víctor A.; Castillo, Byron A.; Narvaez, Christian P.

2017-09-01

An improved numerical algorithm for front tracking method is developed to simulate a bubble rising in viscous liquid. In the new numerical algorithm, volume correction is introduced to conserve the bubble volume while tracking the bubble's rising and deforming. Volume flux conservation is adopted to solve the Navier-Stokes equation for fluid flow using finite volume method. Non-Newtonian fluids are widely used in industry such as feed and energy industries. In this research we used Xanthan gum which is a microbiological polysaccharide. In order to obtain the properties of the Xanthan gum, such as viscosity, storage and loss modulus, shear rate, etc., it was necessary to do an amplitude sweep and steady flow test in a rheometer with a concentric cylinder as geometry. Based on the data given and using a numerical regression, the coefficients required by Giesekus model are obtained. With these coefficients, it is possible to simulate the comportment of the fluid by the use of the developed algorithm. Once the data given by OpenFOAM is acquired, it is compared with the experimental data.

Visualization of numerically simulated aerodynamic flow fields

International Nuclear Information System (INIS)

Hian, Q.L.; Damodaran, M.

1991-01-01

The focus of this paper is to describe the development and the application of an interactive integrated software to visualize numerically simulated aerodynamic flow fields so as to enable the practitioner of computational fluid dynamics to diagnose the numerical simulation and to elucidate essential flow physics from the simulation. The input to the software is the numerical database crunched by a supercomputer and typically consists of flow variables and computational grid geometry. This flow visualization system (FVS), written in C language is targetted at the Personal IRIS Workstations. In order to demonstrate the various visualization modules, the paper also describes the application of this software to visualize two- and three-dimensional flow fields past aerodynamic configurations which have been numerically simulated on the NEC-SXIA Supercomputer. 6 refs

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)

Numerical Simulation of Plasma Antenna with FDTD Method

International Nuclear Information System (INIS)

Chao, Liang; Yue-Min, Xu; Zhi-Jiang, Wang

2008-01-01

We adopt cylindrical-coordinate FDTD algorithm to simulate and analyse a 0.4-m-long column configuration plasma antenna. FDTD method is useful for solving electromagnetic problems, especially when wave characteristics and plasma properties are self-consistently related to each other. Focus on the frequency from 75 MHz to 400 MHz, the input impedance and radiation efficiency of plasma antennas are computed. Numerical results show that, different from copper antenna, the characteristics of plasma antenna vary simultaneously with plasma frequency and collision frequency. The property can be used to construct dynamically reconBgurable antenna. The investigation is meaningful and instructional for the optimization of plasma antenna design

Numerical simulation of plasma antenna with FDTD method

International Nuclear Information System (INIS)

Liang Chao; Xu Yuemin; Wang Zhijiang

2008-01-01

We adopt cylindrical-coordinate FDTD algorithm to simulate and analyse a 0.4-m-long column configuration plasma antenna. FDTD method is useful for solving electromagnetic problems, especially when wave characteristics and plasma properties are self-consistently related to each other. Focus on the frequency from 75 MHz to 400 MHz, the input impedance and radiation efficiency of plasma antennas are computed. Numerical results show that, different from copper antenna, the characteristics of plasma antenna vary simultaneously with plasma frequency and collision frequency. The property can be used to construct dynamically reconfigurable antenna. The investigation is meaningful and instructional for the optimization of plasma antenna design. (authors)

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

KAUST Repository

Martínez-Veracoechea, Francisco J.

2009-03-10

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) and plumber\\'s nightmare phase (P) were spontaneously formed in the range of homopolymer volume fraction simulated via coarse-grained molecular dynamics. To the best of our knowledge, this is the first time that such phases have been obtained in continuum-space molecular simulations of DBC systems. Though tentative phase boundaries were delineated via free-energy calculations, macrophase separation could not be satisfactorily assessed within the framework of particle-based simulations. Therefore, SCFT was used to explore the DBC/homopolymer phase diagram in more detail, showing that although in many cases two-phase coexistence of a DBC-rich phase and a homopolymer-rich phase does precede the stability of complex bicontinuous phases the DD phase can be stable in a relatively wide region of the phase diagram. Whereas the P phase was always metastable with respect to macrophase separation under the thermodynamic conditions explored with SCFT, it was sometimes nearly stable, suggesting that full stability could be achieved in other unexplored regions of parameter space. Moreover, even the predicted DD- and P-phase metastability regions were located significantly far from the spinodal line, suggesting that these phases could be observed in experiments as "long-lived" metastable phases under those conditions. This conjecture is also consistent with large-system molecular dynamics simulations that showed that the time scale of mesophase formation is much faster than that of macrophase separation. © 2009 American Chemical Society.

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)

Smaller self-inflating bags produce greater guideline consistent ventilation in simulated cardiopulmonary resuscitation.

Science.gov (United States)

Nehme, Ziad; Boyle, Malcolm J

2009-02-20

Suboptimal bag ventilation in cardiopulmonary resuscitation (CPR) has demonstrated detrimental physiological outcomes for cardiac arrest patients. In light of recent guideline changes for resuscitation, there is a need to identify the efficacy of bag ventilation by prehospital care providers. The objective of this study was to evaluate bag ventilation in relation to operator ability to achieve guideline consistent ventilation rate, tidal volume and minute volume when using two different capacity self-inflating bags in an undergraduate paramedic cohort. An experimental study using a mechanical lung model and a simulated adult cardiac arrest to assess the ventilation ability of third year Monash University undergraduate paramedic students. Participants were instructed to ventilate using 1600 ml and 1000 ml bags for a length of two minutes at the correct rate and tidal volume for a patient undergoing CPR with an advanced airway. Ventilation rate and tidal volume were recorded using an analogue scale with mean values calculated. Ethics approval was granted. Suboptimal ventilation with the use of conventional 1600 ml bag was common, with 77% and 97% of participants unable to achieve guideline consistent ventilation rates and tidal volumes respectively. Reduced levels of suboptimal ventilation arouse from the use of the smaller bag with a 27% reduction in suboptimal tidal volumes (p = 0.015) and 23% reduction in suboptimal minute volumes (p = 0.045). Smaller self-inflating bags reduce the incidence of suboptimal tidal volumes and minute volumes and produce greater guideline consistent results for cardiac arrest patients.

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)

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.

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...

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...

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

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

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

Numerical simulation of the RF ion source RIG-10

International Nuclear Information System (INIS)

Arzt, T.

1988-01-01

A two-dimensional model for the numerical simulation of the inductively coupled radio-frequency (RF) ion source RIG-10 is presented. Due to the ambipolar characteristics of a discharge operating with hydrogen gas, the model consists of an equation for the space charge imbalance, Poisson's equation for the self-consistent presheath potential and the ion momentum transport equation. For a relatively broad range of operation and design parameters, the model allows the reproduction and prediction of the RF discharge behaviour in a systematic way and, hence, computes the 2D distribution of the ion current density within the source. By implementing relevant discharge physics, the model can provide an appropriate tool for ion source design with respect to an application in the field of neutral beam injection. (author)

Self-similar radiation from numerical Rosenau-Hyman compactons

International Nuclear Information System (INIS)

Rus, Francisco; Villatoro, Francisco R.

2007-01-01

The numerical simulation of compactons, solitary waves with compact support, is characterized by the presence of spurious phenomena, as numerically induced radiation, which is illustrated here using four numerical methods applied to the Rosenau-Hyman K(p, p) equation. Both forward and backward radiations are emitted from the compacton presenting a self-similar shape which has been illustrated graphically by the proper scaling. A grid refinement study shows that the amplitude of the radiations decreases as the grid size does, confirming its numerical origin. The front velocity and the amplitude of both radiations have been studied as a function of both the compacton and the numerical parameters. The amplitude of the radiations decreases exponentially in time, being characterized by a nearly constant scaling exponent. An ansatz for both the backward and forward radiations corresponding to a self-similar function characterized by the scaling exponent is suggested by the present numerical results

Smaller self-inflating bags produce greater guideline consistent ventilation in simulated cardiopulmonary resuscitation

Directory of Open Access Journals (Sweden)

Boyle Malcolm J

2009-02-01

Full Text Available Abstract Background Suboptimal bag ventilation in cardiopulmonary resuscitation (CPR has demonstrated detrimental physiological outcomes for cardiac arrest patients. In light of recent guideline changes for resuscitation, there is a need to identify the efficacy of bag ventilation by prehospital care providers. The objective of this study was to evaluate bag ventilation in relation to operator ability to achieve guideline consistent ventilation rate, tidal volume and minute volume when using two different capacity self-inflating bags in an undergraduate paramedic cohort. Methods An experimental study using a mechanical lung model and a simulated adult cardiac arrest to assess the ventilation ability of third year Monash University undergraduate paramedic students. Participants were instructed to ventilate using 1600 ml and 1000 ml bags for a length of two minutes at the correct rate and tidal volume for a patient undergoing CPR with an advanced airway. Ventilation rate and tidal volume were recorded using an analogue scale with mean values calculated. Ethics approval was granted. Results Suboptimal ventilation with the use of conventional 1600 ml bag was common, with 77% and 97% of participants unable to achieve guideline consistent ventilation rates and tidal volumes respectively. Reduced levels of suboptimal ventilation arouse from the use of the smaller bag with a 27% reduction in suboptimal tidal volumes (p = 0.015 and 23% reduction in suboptimal minute volumes (p = 0.045. Conclusion Smaller self-inflating bags reduce the incidence of suboptimal tidal volumes and minute volumes and produce greater guideline consistent results for cardiac arrest patients.

Numerical simulation of plasmas

International Nuclear Information System (INIS)

Dnestrovskii, Y.N.; Kostomarov, D.P.

1986-01-01

This book contains a modern consistent and systematic presentation of numerical computer simulation of plasmas in controlled thermonuclear fusion. The authors focus on the Soviet research in mathematical modelling of Tokamak plasmas, and present kinetic hydrodynamic and transport models with special emphasis on the more recent hybrid models. Compared with the first edition (in Russian) this book has been greatly revised and updated. (orig./WL)

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}.

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.

A numerical design and feasibility study of self-wastage experiment using simulant material in a sodium fast reactor

International Nuclear Information System (INIS)

Jang, Sung Hyun; Takata, Takashi; Yamaguchi, Akira

2016-01-01

A sodium-water reaction takes place when high-pressured water vapor leaks into sodium through a tiny defect on the surface of the heat transfer tube in a steam generator of the sodium-cooled fast reactor. The sodium-water reaction brings deterioration of the mechanical strength of the heat transfer tube at the initial leakage site. As a result, it damages the crack itself, which may eventually enlarge into a larger opening. This self-enlargement is called 'self-wastage phenomenon.' In this study, a simulant experiment was proposed to reproduce the self-enlargement of a crack and to evaluate the mechanism of the self-wastage. The damage on the surface of the crack was simulated by making the neutralization reaction with hydrochloric acid solution and sodium hydroxide solution. A numerical investigation was carried out to validate the feasibility of the approach and to determine experimental conditions. From the computation results, it is observed that when 5M HCl is injected into 5M of NaOH with 0.05 m/s inlet velocity, the temperature at the surface near the crack increased over 319.26 K. The computational results show that the self-wastage phenomenon is capable of being reproduced by the simulant experiment

A Numerical Design and Feasibility Study of Self-Wastage Experiment Using Simulant Material in a Sodium Fast Reactor

Directory of Open Access Journals (Sweden)

Sunghyon Jang

2016-04-01

Full Text Available A sodium–water reaction takes place when high-pressured water vapor leaks into sodium through a tiny defect on the surface of the heat transfer tube in a steam generator of the sodium-cooled fast reactor. The sodium–water reaction brings deterioration of the mechanical strength of the heat transfer tube at the initial leakage site. As a result, it damages the crack itself, which may eventually enlarge into a larger opening. This self-enlargement is called “self-wastage phenomenon.” In this study, a simulant experiment was proposed to reproduce the self-enlargement of a crack and to evaluate the mechanism of the self-wastage. The damage on the surface of the crack was simulated by making the neutralization reaction with hydrochloric acid solution and sodium hydroxide solution. A numerical investigation was carried out to validate the feasibility of the approach and to determine experimental conditions. From the computation results, it is observed that when 5M HCl is injected into 5M of NaOH with 0.05 m/s inlet velocity, the temperature at the surface near the crack increased over 319.26 K. The computational results show that the self-wastage phenomenon is capable of being reproduced by the simulant experiment.

A numerical design and feasibility study of self-wastage experiment using simulant material in a sodium fast reactor

Energy Technology Data Exchange (ETDEWEB)

Jang, Sung Hyun; Takata, Takashi [Graduate School of Engineering, Osaka University, Osaka (Japan); Yamaguchi, Akira [Nuclear Professional School, The University of Tokyo, Ibaraki (Japan)

2016-04-15

A sodium-water reaction takes place when high-pressured water vapor leaks into sodium through a tiny defect on the surface of the heat transfer tube in a steam generator of the sodium-cooled fast reactor. The sodium-water reaction brings deterioration of the mechanical strength of the heat transfer tube at the initial leakage site. As a result, it damages the crack itself, which may eventually enlarge into a larger opening. This self-enlargement is called 'self-wastage phenomenon.' In this study, a simulant experiment was proposed to reproduce the self-enlargement of a crack and to evaluate the mechanism of the self-wastage. The damage on the surface of the crack was simulated by making the neutralization reaction with hydrochloric acid solution and sodium hydroxide solution. A numerical investigation was carried out to validate the feasibility of the approach and to determine experimental conditions. From the computation results, it is observed that when 5M HCl is injected into 5M of NaOH with 0.05 m/s inlet velocity, the temperature at the surface near the crack increased over 319.26 K. The computational results show that the self-wastage phenomenon is capable of being reproduced by the simulant experiment.

Shingle 2.0: generalising self-consistent and automated domain discretisation for multi-scale geophysical models

Science.gov (United States)

Candy, Adam S.; Pietrzak, Julie D.

2018-01-01

The approaches taken to describe and develop spatial discretisations of the domains required for geophysical simulation models are commonly ad hoc, model- or application-specific, and under-documented. This is particularly acute for simulation models that are flexible in their use of multi-scale, anisotropic, fully unstructured meshes where a relatively large number of heterogeneous parameters are required to constrain their full description. As a consequence, it can be difficult to reproduce simulations, to ensure a provenance in model data handling and initialisation, and a challenge to conduct model intercomparisons rigorously. This paper takes a novel approach to spatial discretisation, considering it much like a numerical simulation model problem of its own. It introduces a generalised, extensible, self-documenting approach to carefully describe, and necessarily fully, the constraints over the heterogeneous parameter space that determine how a domain is spatially discretised. This additionally provides a method to accurately record these constraints, using high-level natural language based abstractions that enable full accounts of provenance, sharing, and distribution. Together with this description, a generalised consistent approach to unstructured mesh generation for geophysical models is developed that is automated, robust and repeatable, quick-to-draft, rigorously verified, and consistent with the source data throughout. This interprets the description above to execute a self-consistent spatial discretisation process, which is automatically validated to expected discrete characteristics and metrics. Library code, verification tests, and examples available in the repository at https://github.com/shingleproject/Shingle. Further details of the project presented at http://shingleproject.org.

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.

Charge and spin diffusion on the metallic side of the metal-insulator transition: A self-consistent approach

Science.gov (United States)

Wellens, Thomas; Jalabert, Rodolfo A.

2016-10-01

We develop a self-consistent theory describing the spin and spatial electron diffusion in the impurity band of doped semiconductors under the effect of a weak spin-orbit coupling. The resulting low-temperature spin-relaxation time and diffusion coefficient are calculated within different schemes of the self-consistent framework. The simplest of these schemes qualitatively reproduces previous phenomenological developments, while more elaborate calculations provide corrections that approach the values obtained in numerical simulations. The results are universal for zinc-blende semiconductors with electron conductance in the impurity band, and thus they are able to account for the measured spin-relaxation times of materials with very different physical parameters. From a general point of view, our theory opens a new perspective for describing the hopping dynamics in random quantum networks.

Analysis of the gravitational coupled collisionless Boltzmann-poisson equations and numerical simulations of the formation of self-gravitating systems

International Nuclear Information System (INIS)

Roy, Fabrice

2004-01-01

We study the formation of self-gravitating systems and their properties by means of N-body simulations of gravitational collapse. First, we summarize the major analytical results concerning the collisionless Boltzmann equation and the Poisson's equation which describe the dynamics of collisionless gravitational systems. We present a study of some analytical solutions of this coupled system of equations. We then present the software used to perform the simulations. Some of this has been parallelized and implemented with the aid of MPI. For this reason we give a brief overview of it. Finally, we present the results of the numerical simulations. Analysis of these results allows us to explain some features of self-gravitating systems and the initial conditions needed to trigger the Antonov instability and the radial orbit instability. (author) [fr

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

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)

Dimension of ring polymers in bulk studied by Monte-Carlo simulation and self-consistent theory.

Science.gov (United States)

Suzuki, Jiro; Takano, Atsushi; Deguchi, Tetsuo; Matsushita, Yushu

2009-10-14

We studied equilibrium conformations of ring polymers in melt over the wide range of segment number N of up to 4096 with Monte-Carlo simulation and obtained N dependence of radius of gyration of chains R(g). The simulation model used is bond fluctuation model (BFM), where polymer segments bear excluded volume; however, the excluded volume effect vanishes at N-->infinity, and linear polymer can be regarded as an ideal chain. Simulation for ring polymers in melt was performed, and the nu value in the relationship R(g) proportional to N(nu) is decreased gradually with increasing N, and finally it reaches the limiting value, 1/3, in the range of N>or=1536, i.e., R(g) proportional to N(1/3). We confirmed that the simulation result is consistent with that of the self-consistent theory including the topological effect and the osmotic pressure of ring polymers. Moreover, the averaged chain conformation of ring polymers in equilibrium state was given in the BFM. In small N region, the segment density of each molecule near the center of mass of the molecule is decreased with increasing N. In large N region the decrease is suppressed, and the density is found to be kept constant without showing N dependence. This means that ring polymer molecules do not segregate from the other molecules even if ring polymers in melt have the relationship nu=1/3. Considerably smaller dimensions of ring polymers at high molecular weight are due to their inherent nature of having no chain ends, and hence they have less-entangled conformations.

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.

Comprehensive and fully self-consistent modeling of modern semiconductor lasers

International Nuclear Information System (INIS)

Nakwaski, W.; Sarzał, R. P.

2016-01-01

The fully self-consistent model of modern semiconductor lasers used to design their advanced structures and to understand more deeply their properties is given in the present paper. Operation of semiconductor lasers depends not only on many optical, electrical, thermal, recombination, and sometimes mechanical phenomena taking place within their volumes but also on numerous mutual interactions between these phenomena. Their experimental investigation is quite complex, mostly because of miniature device sizes. Therefore, the most convenient and exact method to analyze expected laser operation and to determine laser optimal structures for various applications is to examine the details of their performance with the aid of a simulation of laser operation in various considered conditions. Such a simulation of an operation of semiconductor lasers is presented in this paper in a full complexity of all mutual interactions between the above individual physical processes. In particular, the hole-burning effect has been discussed. The impacts on laser performance introduced by oxide apertures (their sizes and localization) have been analyzed in detail. Also, some important details concerning the operation of various types of semiconductor lasers are discussed. The results of some applications of semiconductor lasers are shown for successive laser structures. (paper)

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

Numerical simulation of bubble deformation in magnetic fluids by finite volume method

International Nuclear Information System (INIS)

Yamasaki, Haruhiko; Yamaguchi, Hiroshi

2017-01-01

Bubble deformation in magnetic fluids under magnetic field is investigated numerically by an interface capturing method. The numerical method consists of a coupled level-set and VOF (Volume of Fluid) method, combined with conservation CIP (Constrained Interpolation Profile) method with the self-correcting procedure. In the present study considering actual physical properties of magnetic fluid, bubble deformation under given uniform magnetic field is analyzed for internal magnetic field passing through a magnetic gaseous and liquid phase interface. The numerical results explain the mechanism of bubble deformation under presence of given magnetic field. - Highlights: • A magnetic field analysis is developed to simulate the bubble dynamics in magnetic fluid with two-phase interface. • The elongation of bubble increased with increasing magnetic flux intensities due to strong magnetic normal force. • Proposed technique explains the bubble dynamics, taking into account of the continuity of the magnetic flux density.

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

IslandFAST: A Semi-numerical Tool for Simulating the Late Epoch of Reionization

Energy Technology Data Exchange (ETDEWEB)

Xu, Yidong; Chen, Xuelei [Key Laboratory for Computational Astrophysics, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China); Yue, Bin [National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China)

2017-08-01

We present the algorithm and main results of our semi-numerical simulation, islandFAST, which was developed from 21cmFAST and designed for the late stage of reionization. The islandFAST simulation predicts the evolution and size distribution of the large-scale underdense neutral regions (neutral islands), and we find that the late Epoch of Reionization proceeds very fast, showing a characteristic scale of the neutral islands at each redshift. Using islandFAST, we compare the impact of two types of absorption systems, i.e., the large-scale underdense neutral islands versus small-scale overdense absorbers, in regulating the reionization process. The neutral islands dominate the morphology of the ionization field, while the small-scale absorbers dominate the mean-free path of ionizing photons, and also delay and prolong the reionization process. With our semi-numerical simulation, the evolution of the ionizing background can be derived self-consistently given a model for the small absorbers. The hydrogen ionization rate of the ionizing background is reduced by an order of magnitude in the presence of dense absorbers.

PROGENITOR-DEPENDENT EXPLOSION DYNAMICS IN SELF-CONSISTENT, AXISYMMETRIC SIMULATIONS OF NEUTRINO-DRIVEN CORE-COLLAPSE SUPERNOVAE

Energy Technology Data Exchange (ETDEWEB)

Summa, Alexander; Hanke, Florian; Janka, Hans-Thomas; Melson, Tobias [Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Str. 1, D-85748 Garching (Germany); Marek, Andreas [Max Planck Computing and Data Facility (MPCDF), Gießenbachstr. 2, D-85748 Garching (Germany); Müller, Bernhard, E-mail: asumma@mpa-garching.mpg.de, E-mail: thj@mpa-garching.mpg.de [Astrophysics Research Centre, School of Mathematics and Physics, Queen’s University Belfast, Belfast, BT7 1NN (United Kingdom)

2016-07-01

We present self-consistent, axisymmetric core-collapse supernova simulations performed with the Prometheus-Vertex code for 18 pre-supernova models in the range of 11–28 M {sub ⊙}, including progenitors recently investigated by other groups. All models develop explosions, but depending on the progenitor structure, they can be divided into two classes. With a steep density decline at the Si/Si–O interface, the arrival of this interface at the shock front leads to a sudden drop of the mass-accretion rate, triggering a rapid approach to explosion. With a more gradually decreasing accretion rate, it takes longer for the neutrino heating to overcome the accretion ram pressure and explosions set in later. Early explosions are facilitated by high mass-accretion rates after bounce and correspondingly high neutrino luminosities combined with a pronounced drop of the accretion rate and ram pressure at the Si/Si–O interface. Because of rapidly shrinking neutron star radii and receding shock fronts after the passage through their maxima, our models exhibit short advection timescales, which favor the efficient growth of the standing accretion-shock instability. The latter plays a supportive role at least for the initiation of the re-expansion of the stalled shock before runaway. Taking into account the effects of turbulent pressure in the gain layer, we derive a generalized condition for the critical neutrino luminosity that captures the explosion behavior of all models very well. We validate the robustness of our findings by testing the influence of stochasticity, numerical resolution, and approximations in some aspects of the microphysics.

Direct numerical simulation of interfacial instabilities: A consistent, conservative, all-speed, sharp-interface method

Science.gov (United States)

Chang, Chih-Hao; Deng, Xiaolong; Theofanous, Theo G.

2013-06-01

We present a conservative and consistent numerical method for solving the Navier-Stokes equations in flow domains that may be separated by any number of material interfaces, at arbitrarily-high density/viscosity ratios and acoustic-impedance mismatches, subjected to strong shock waves and flow speeds that can range from highly supersonic to near-zero Mach numbers. A principal aim is prediction of interfacial instabilities under superposition of multiple potentially-active modes (Rayleigh-Taylor, Kelvin-Helmholtz, Richtmyer-Meshkov) as found for example with shock-driven, immersed fluid bodies (locally oblique shocks)—accordingly we emphasize fidelity supported by physics-based validation, including experiments. Consistency is achieved by satisfying the jump discontinuities at the interface within a conservative 2nd-order scheme that is coupled, in a conservative manner, to the bulk-fluid motions. The jump conditions are embedded into a Riemann problem, solved exactly to provide the pressures and velocities along the interface, which is tracked by a level set function to accuracy of O(Δx5, Δt4). Subgrid representation of the interface is achieved by allowing curvature of its constituent interfacial elements to obtain O(Δx3) accuracy in cut-cell volume, with attendant benefits in calculating cell- geometric features and interface curvature (O(Δx3)). Overall the computation converges at near-theoretical O(Δx2). Spurious-currents are down to machine error and there is no time-step restriction due to surface tension. Our method is built upon a quadtree-like adaptive mesh refinement infrastructure. When necessary, this is supplemented by body-fitted grids to enhance resolution of the gas dynamics, including flow separation, shear layers, slip lines, and critical layers. Comprehensive comparisons with exact solutions for the linearized Rayleigh-Taylor and Kelvin-Helmholtz problems demonstrate excellent performance. Sample simulations of liquid drops subjected to

Numerical Simulation of Steady Supercavitating Flows

OpenAIRE

Ali Jafarian; Ahmad-Reza Pishevar

2016-01-01

In this research, the Supercavitation phenomenon in compressible liquid flows is simulated. The one-fluid method based on a new exact two-phase Riemann solver is used for modeling. The cavitation is considered as an isothermal process and a consistent equation of state with the physical behavior of the water is used. High speed flow of water over a cylinder and a projectile are simulated and the results are compared with the previous numerical and experimental results. The cavitation bubble p...

Numerical simulation investigation on centrifugal compressor performance of turbocharger

International Nuclear Information System (INIS)

Li, Jie; Yin, Yuting; Li, Shuqi; Zhang, Jizhong

2013-01-01

In this paper, the mathematical model of the flow filed in centrifugal compressor of turbocharger was studied. Based on the theory of computational fluid dynamics (CFD), performance curves and parameter distributions of the compressor were obtained from the 3-D numerical simulation by using CFX. Meanwhile, the influences of grid number and distribution on compressor performance were investigated, and numerical calculation method was analyzed and validated, through combining with test data. The results obtained show the increase of the grid number has little influence on compressor performance while the grid number of single-passage is above 300,000. The results also show that the numerical calculation mass flow rate of compressor choke situation has a good consistent with test results, and the maximum difference of the diffuser exit pressure between simulation and experiment decrease to 3.5% with the assumption of 6 kPa additional total pressure loss at compressor inlet. The numerical simulation method in this paper can be used to predict compressor performance, and the difference of total pressure ratio between calculation and test is less than 7%, and the total-to-total efficiency also have a good consistent with test.

Numerical simulation investigation on centrifugal compressor performance of turbocharger

Energy Technology Data Exchange (ETDEWEB)

Li, Jie [China Iron and Steel Research Institute Group, Beijing (China); Yin, Yuting [China North Engine Research Institute, Datong (China); Li, Shuqi; Zhang, Jizhong [Science and Technology Diesel Engine Turbocharging Laboratory, Datong (China)

2013-06-15

In this paper, the mathematical model of the flow filed in centrifugal compressor of turbocharger was studied. Based on the theory of computational fluid dynamics (CFD), performance curves and parameter distributions of the compressor were obtained from the 3-D numerical simulation by using CFX. Meanwhile, the influences of grid number and distribution on compressor performance were investigated, and numerical calculation method was analyzed and validated, through combining with test data. The results obtained show the increase of the grid number has little influence on compressor performance while the grid number of single-passage is above 300,000. The results also show that the numerical calculation mass flow rate of compressor choke situation has a good consistent with test results, and the maximum difference of the diffuser exit pressure between simulation and experiment decrease to 3.5% with the assumption of 6 kPa additional total pressure loss at compressor inlet. The numerical simulation method in this paper can be used to predict compressor performance, and the difference of total pressure ratio between calculation and test is less than 7%, and the total-to-total efficiency also have a good consistent with test.

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

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.)

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

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.

Characterisation of amorphous silicon alloys by RBS/ERD with self consistent data analysis using simulated annealing

International Nuclear Information System (INIS)

Barradas, N.P.; Wendler, E.; Jeynes, C.; Summers, S.; Reehal, H.S.; Summers, S.

1999-01-01

Full text: Hydrogenated amorphous silicon films are deposited by CVD onto insulating (silica) substrates for the fabrication of solar cells. 1.5MeV 4 He ERD/RBS is applied to the films, and a self consistent depth profile of Si and H using the simulated annealing (SA) algorithm was obtained for each sample. The analytical procedure is described in detail, and the confidence limits of the profiles are obtained using the Markov Chain Monte Carlo method which is a natural extension of the SA algorithm. We show how the results are of great benefit to the growers

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....

A numerical simulation method and analysis of a complete thermoacoustic-Stirling engine.

Science.gov (United States)

Ling, Hong; Luo, Ercang; Dai, Wei

2006-12-22

Thermoacoustic prime movers can generate pressure oscillation without any moving parts on self-excited thermoacoustic effect. The details of the numerical simulation methodology for thermoacoustic engines are presented in the paper. First, a four-port network method is used to build the transcendental equation of complex frequency as a criterion to judge if temperature distribution of the whole thermoacoustic system is correct for the case with given heating power. Then, the numerical simulation of a thermoacoustic-Stirling heat engine is carried out. It is proved that the numerical simulation code can run robustly and output what one is interested in. Finally, the calculated results are compared with the experiments of the thermoacoustic-Stirling heat engine (TASHE). It shows that the numerical simulation can agrees with the experimental results with acceptable accuracy.

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.

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

Numerical simulation of self-piercing riveting process (SRP using continuum damage mechanics modelling

Directory of Open Access Journals (Sweden)

Nicola Bonora

2018-04-01

Full Text Available The extended Bonora damage model was used to investigate joinability of materials in self-piercing riveting process. This updated model formulation accounts for void nucleation and growth process and shear-controlled damage which is critical for shear fracture sensitive materials. Potential joint configurations with dissimilar materials have been investigated computationally. In particular the possible combination of DP600 steel, which is widely used in the automotive industry, with AL2024-T351, which is known to show shear fracture sensitivity, and oxygen-free pure copper, which is known to fail by void nucleation and growth, have been investigated. Preliminary numerical simulation results indicate that the damage modelling is capable to discriminate potential criticalities occurring in the SPR joining process opening the possibility for process parameters optimization and screening of candidate materials for optimum joint

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.

Numerical Simulations of Two-Phase Flow in a Self-Aerated Flotation Machine and Kinetics Modeling

KAUST Repository

Fayed, Hassan E.; Ragab, Saad

2015-01-01

A new boundary condition treatment has been devised for two-phase flow numerical simulations in a self-aerated minerals flotation machine and applied to a Wemco 0.8 m3 pilot cell. Airflow rate is not specified a priori but is predicted by the simulations as well as power consumption. Time-dependent simulations of two-phase flow in flotation machines are essential to understanding flow behavior and physics in self-aerated machines such as the Wemco machines. In this paper, simulations have been conducted for three different uniform bubble sizes (db = 0.5, 0.7 and 1.0 mm) to study the effects of bubble size on air holdup and hydrodynamics in Wemco pilot cells. Moreover, a computational fluid dynamics (CFD)-based flotation model has been developed to predict the pulp recovery rate of minerals from a flotation cell for different bubble sizes, different particle sizes and particle size distribution. The model uses a first-order rate equation, where models for probabilities of collision, adhesion and stabilization and collisions frequency estimated by Zaitchik-2010 model are used for the calculation of rate constant. Spatial distributions of dissipation rate and air volume fraction (also called void fraction) determined by the two-phase simulations are the input for the flotation kinetics model. The average pulp recovery rate has been calculated locally for different uniform bubble and particle diameters. The CFD-based flotation kinetics model is also used to predict pulp recovery rate in the presence of particle size distribution. Particle number density pdf and the data generated for single particle size are used to compute the recovery rate for a specific mean particle diameter. Our computational model gives a figure of merit for the recovery rate of a flotation machine, and as such can be used to assess incremental design improvements as well as design of new machines.

Numerical Simulations of Two-Phase Flow in a Self-Aerated Flotation Machine and Kinetics Modeling

Directory of Open Access Journals (Sweden)

Hassan Fayed

2015-03-01

Full Text Available A new boundary condition treatment has been devised for two-phase flow numerical simulations in a self-aerated minerals flotation machine and applied to a Wemco 0.8 m3 pilot cell. Airflow rate is not specified a priori but is predicted by the simulations as well as power consumption. Time-dependent simulations of two-phase flow in flotation machines are essential to understanding flow behavior and physics in self-aerated machines such as the Wemco machines. In this paper, simulations have been conducted for three different uniform bubble sizes (db = 0.5, 0.7 and 1.0 mm to study the effects of bubble size on air holdup and hydrodynamics in Wemco pilot cells. Moreover, a computational fluid dynamics (CFD-based flotation model has been developed to predict the pulp recovery rate of minerals from a flotation cell for different bubble sizes, different particle sizes and particle size distribution. The model uses a first-order rate equation, where models for probabilities of collision, adhesion and stabilization and collisions frequency estimated by Zaitchik-2010 model are used for the calculation of rate constant. Spatial distributions of dissipation rate and air volume fraction (also called void fraction determined by the two-phase simulations are the input for the flotation kinetics model. The average pulp recovery rate has been calculated locally for different uniform bubble and particle diameters. The CFD-based flotation kinetics model is also used to predict pulp recovery rate in the presence of particle size distribution. Particle number density pdf and the data generated for single particle size are used to compute the recovery rate for a specific mean particle diameter. Our computational model gives a figure of merit for the recovery rate of a flotation machine, and as such can be used to assess incremental design improvements as well as design of new machines.

Numerical Simulations of Two-Phase Flow in a Self-Aerated Flotation Machine and Kinetics Modeling

KAUST Repository

Fayed, Hassan E.

2015-03-30

A new boundary condition treatment has been devised for two-phase flow numerical simulations in a self-aerated minerals flotation machine and applied to a Wemco 0.8 m3 pilot cell. Airflow rate is not specified a priori but is predicted by the simulations as well as power consumption. Time-dependent simulations of two-phase flow in flotation machines are essential to understanding flow behavior and physics in self-aerated machines such as the Wemco machines. In this paper, simulations have been conducted for three different uniform bubble sizes (db = 0.5, 0.7 and 1.0 mm) to study the effects of bubble size on air holdup and hydrodynamics in Wemco pilot cells. Moreover, a computational fluid dynamics (CFD)-based flotation model has been developed to predict the pulp recovery rate of minerals from a flotation cell for different bubble sizes, different particle sizes and particle size distribution. The model uses a first-order rate equation, where models for probabilities of collision, adhesion and stabilization and collisions frequency estimated by Zaitchik-2010 model are used for the calculation of rate constant. Spatial distributions of dissipation rate and air volume fraction (also called void fraction) determined by the two-phase simulations are the input for the flotation kinetics model. The average pulp recovery rate has been calculated locally for different uniform bubble and particle diameters. The CFD-based flotation kinetics model is also used to predict pulp recovery rate in the presence of particle size distribution. Particle number density pdf and the data generated for single particle size are used to compute the recovery rate for a specific mean particle diameter. Our computational model gives a figure of merit for the recovery rate of a flotation machine, and as such can be used to assess incremental design improvements as well as design of new machines.

A Numerical Framework for Self-Similar Problems in Plasticity: Indentation in Single Crystals

DEFF Research Database (Denmark)

Juul, Kristian Jørgensen; Niordson, Christian Frithiof; Nielsen, Kim Lau

A new numerical framework specialized for analyzing self-similar problems in plasticity is developed. Self-similarity in plasticity is encountered in a number of different problems such as stationary cracks, void growth, indentation etc. To date, such problems are handled by traditional Lagrangian...... procedures that may be associated with severe numerical difficulties relating to sufficient discretization, moving contact points, etc. In the present work, self-similarity is exploited to construct the numerical framework that offers a simple and efficient method to handle self-similar problems in history...... numerical simulations [3] when possible. To mimic the condition for the analytical predictions, the wedge indenter is considered nearly flat and the material is perfectly plastic with a very low yield strain. Under these conditions, [1][2] proved analytically the existence of discontinuities in the slip...

Multiphase turbulence mechanisms identification from consistent analysis of direct numerical simulation data

Directory of Open Access Journals (Sweden)

Ben Magolan

2017-09-01

Full Text Available Direct Numerical Simulation (DNS serves as an irreplaceable tool to probe the complexities of multiphase flow and identify turbulent mechanisms that elude conventional experimental measurement techniques. The insights unlocked via its careful analysis can be used to guide the formulation and development of turbulence models used in multiphase computational fluid dynamics simulations of nuclear reactor applications. Here, we perform statistical analyses of DNS bubbly flow data generated by Bolotnov (Reτ = 400 and Lu–Tryggvason (Reτ = 150, examining single-point statistics of mean and turbulent liquid properties, turbulent kinetic energy budgets, and two-point correlations in space and time. Deformability of the bubble interface is shown to have a dramatic impact on the liquid turbulent stresses and energy budgets. A reduction in temporal and spatial correlations for the streamwise turbulent stress (uu is also observed at wall-normal distances of y+ = 15, y/δ = 0.5, and y/δ = 1.0. These observations motivate the need for adaptation of length and time scales for bubble-induced turbulence models and serve as guidelines for future analyses of DNS bubbly flow data.

Elucidation of self-induced sloshing occurrence mechanism using numerical analysis

International Nuclear Information System (INIS)

Saeki, Soichi; Madarame, Haruki; Okamoto, Koji; Tanaka, Nobukazu.

1995-01-01

In liquid metal-cooled fast breeder reactors, there is free liquid surface in a reactor vessel and others, and by reducing the size of the reactor vessel and others, it is necessary to increase the flow velocity of liquid sodium coolant. In the free liquid surface in which fast circulating flow exists, undesirable phenomena like waving and bubble catching are feared. The self-induced sloshing taken up in this study is one of these phenomena. Since the actual machine has complex three-dimensional structure, in order to forecast the occurrence of sloshing, it is necessary to elucidate the mechanism of vibration occurrence. The mechanism of occurrence of self-induced sloshing due to horizontal and vertical plane jets has been explained a number of times so far. In this study, by applying the model of the occurrence mechanism of Fukaya to horizontal plane jet, the self-induced sloshing due to horizontal plane jet was simulated by numerical analysis. Based on the results, it was attempted to examine the vibration energy supplied to sloshing in a whole flow field and the dependence of sloshing region on water depth and flow velocity. The numerical simulation, the analysis of the occurrence mechanism by using the numerical analysis code and the results are reported. (K.I.)

Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems

International Nuclear Information System (INIS)

Lévêque, Camille; Madsen, Lars Bojer

2017-01-01

We develop an ab initio time-dependent wavefunction based theory for the description of a many-body system of cold interacting bosons. Like the multi-configurational time-dependent Hartree method for bosons (MCTDHB), the theory is based on a configurational interaction Ansatz for the many-body wavefunction with time-dependent self-consistent-field orbitals. The theory generalizes the MCTDHB method by incorporating restrictions on the active space of the orbital excitations. The restrictions are specified based on the physical situation at hand. The equations of motion of this time-dependent restricted-active-space self-consistent-field (TD-RASSCF) theory are derived. The similarity between the formal development of the theory for bosons and fermions is discussed. The restrictions on the active space allow the theory to be evaluated under conditions where other wavefunction based methods due to exponential scaling in the numerical effort cannot, and to clearly identify the excitations that are important for an accurate description, significantly beyond the mean-field approach. For ground state calculations we find it to be important to allow a few particles to have the freedom to move in many orbitals, an insight facilitated by the flexibility of the restricted-active-space Ansatz . Moreover, we find that a high accuracy can be obtained by including only even excitations in the many-body self-consistent-field wavefunction. Time-dependent simulations of harmonically trapped bosons subject to a quenching of their noncontact interaction, show failure of the mean-field Gross-Pitaevskii approach within a fraction of a harmonic oscillation period. The TD-RASSCF theory remains accurate at much reduced computational cost compared to the MCTDHB method. Exploring the effect of changes of the restricted-active-space allows us to identify that even self-consistent-field excitations are mainly responsible for the accuracy of the method. (paper)

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

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

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.

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.

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

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.

Efficient self-consistency for magnetic tight binding

Science.gov (United States)

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

2011-06-01

difficult. Our existing schemes failed altogether, or were very slow. Solution method: A new scheme for achieving self-consistency in orthogonal tight binding has been introduced that explicitly evaluates the first and second derivatives of the energy with respect to input charge and spin, and then uses these to search for stationary values of the energy. Reasons for new version: Bug fixes and new functionality. Summary of revisions: New charge and spin mixing scheme for orthogonal tight binding. Numerous small bug fixes. Restrictions: The new mixing scheme scales poorly with system size. In particular the memory usage scales as number of atoms to the power 4. It is restricted to systems with about 200 atoms or less. Running time: Test cases will run in a few minutes, large calculations may run for several days.

Self-assembly behavior of pH- and thermosensitive amphiphilic triblock copolymers in solution: experimental studies and self-consistent field theory simulations.

Science.gov (United States)

Cai, Chunhua; Zhang, Liangshun; Lin, Jiaping; Wang, Liquan

2008-10-09

We investigated, both experimentally and theoretically, the self-assembly behaviors of pH- and thermosensitive poly(L-glutamic acid)- b-poly(propylene oxide)-b-poly(L-glutamic acid) (PLGA-b-PPO-b-PLGA) triblock copolymers in aqueous solution by means of transmission electron microscopy (TEM), scanning electron microscopy (SEM), dynamic light scattering (DLS), circular dichroism (CD), and self-consistent field theory (SCFT) simulations. Vesicles were observed when the hydrophilic PLGA block length is shorter or the pH value of solution is lower. The vesicles were found to transform to spherical micelles when the PLGA block length increases or its conformation changes from helix to coil with increasing the pH value. In addition, increasing temperature gives rise to a decrease in the size of aggregates, which is related to the dehydration of the PPO segments at higher temperatures. The SCFT simulation results show that the vesicles transform to the spherical micelles with increasing the fraction or statistical length of A block in model ABA triblock copolymer, which corresponds to the increase in the PLGA length or its conformation change from helix to coil in experiments, respectively. The SCFT calculations also provide chain distribution information in the aggregates. On the basis of both experimental and SCFT results, the mechanism of the structure change of the PLGA- b-PPO- b-PLGA aggregates was proposed.

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.

Numerical simulation of the hydrodynamics within octagonal tanks in recirculating aquaculture systems

Science.gov (United States)

Liu, Yao; Liu, Baoliang; Lei, Jilin; Guan, Changtao; Huang, Bin

2017-07-01

A three-dimensional numerical model was established to simulate the hydrodynamics within an octagonal tank of a recirculating aquaculture system. The realizable k- ɛ turbulence model was applied to describe the flow, the discrete phase model (DPM) was applied to generate particle trajectories, and the governing equations are solved using the finite volume method. To validate this model, the numerical results were compared with data obtained from a full-scale physical model. The results show that: (1) the realizable k- ɛ model applied for turbulence modeling describes well the flow pattern in octagonal tanks, giving an average relative error of velocities between simulated and measured values of 18% from contour maps of velocity magnitudes; (2) the DPM was applied to obtain particle trajectories and to simulate the rate of particle removal from the tank. The average relative error of the removal rates between simulated and measured values was 11%. The DPM can be used to assess the self-cleaning capability of an octagonal tank; (3) a comprehensive account of the hydrodynamics within an octagonal tank can be assessed from simulations. The velocity distribution was uniform with an average velocity of 15 cm/s; the velocity reached 0.8 m/s near the inlet pipe, which can result in energy losses and cause wall abrasion; the velocity in tank corners was more than 15 cm/s, which suggests good water mixing, and there was no particle sedimentation. The percentage of particle removal for octagonal tanks was 90% with the exception of a little accumulation of ≤ 5 mm particle in the area between the inlet pipe and the wall. This study demonstrated a consistent numerical model of the hydrodynamics within octagonal tanks that can be further used in their design and optimization as well as promote the wide use of computational fluid dynamics in aquaculture engineering.

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

A three-dimensional sharp interface model for self-consistent keyhole and weld pool dynamics in deep penetration laser welding

International Nuclear Information System (INIS)

Pang Shengyong; Chen Liliang; Zhou Jianxin; Yin Yajun; Chen Tao

2011-01-01

A three-dimensional sharp interface model is proposed to investigate the self-consistent keyhole and weld pool dynamics in deep penetration laser welding. The coupling of three-dimensional heat transfer, fluid flow and keyhole free surface evolutions in the welding process is simulated. It is theoretically confirmed that under certain low heat input welding conditions deep penetration laser welding with a collapsing free keyhole could be obtained and the flow directions near the keyhole wall are upwards and approximately parallel to the keyhole wall. However, significantly different weld pool dynamics in a welding process with an unstable keyhole are numerically found. Many flow patterns in the welding process with an unstable keyhole, verified by x-ray transmission experiments, were successfully simulated and analysed. Periodical keyhole collapsing and bubble formation processes are also successfully simulated and believed to be in good agreement with experiments. The mechanisms of keyhole instability are found to be closely associated with the behaviour of humps on the keyhole wall, and it is found that the welding speed and surface tension are closely related to the formation of humps on the keyhole wall. It is also shown that the weld pool dynamics in laser welding with an unstable keyhole are closely associated with the transient keyhole instability and therefore modelling keyhole and weld pool in a self-consistent way is significant to understand the physics of laser welding.

Plasma modelling and numerical simulation

International Nuclear Information System (INIS)

Van Dijk, J; Kroesen, G M W; Bogaerts, A

2009-01-01

Plasma modelling is an exciting subject in which virtually all physical disciplines are represented. Plasma models combine the electromagnetic, statistical and fluid dynamical theories that have their roots in the 19th century with the modern insights concerning the structure of matter that were developed throughout the 20th century. The present cluster issue consists of 20 invited contributions, which are representative of the state of the art in plasma modelling and numerical simulation. These contributions provide an in-depth discussion of the major theories and modelling and simulation strategies, and their applications to contemporary plasma-based technologies. In this editorial review, we introduce and complement those papers by providing a bird's eye perspective on plasma modelling and discussing the historical context in which it has surfaced. (editorial review)

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

Direct numerical simulations of turbulent lean premixed combustion

International Nuclear Information System (INIS)

Sankaran, Ramanan; Hawkes, Evatt R; Chen, Jacqueline H; Lu Tianfeng; Law, Chung K

2006-01-01

In recent years, due to the advent of high-performance computers and advanced numerical algorithms, direct numerical simulation (DNS) of combustion has emerged as a valuable computational research tool, in concert with experimentation. The role of DNS in delivering new Scientific insight into turbulent combustion is illustrated using results from a recent 3D turbulent premixed flame simulation. To understand the influence of turbulence on the flame structure, a 3D fully-resolved DNS of a spatially-developing lean methane-air turbulent Bunsen flame was performed in the thin reaction zones regime. A reduced chemical model for methane-air chemistry consisting of 13 resolved species, 4 quasi-steady state species and 73 elementary reactions was developed specifically for the current simulation. The data is analyzed to study possible influences of turbulence on the flame thickness. The results show that the average flame thickness increases, in qualitative agreement with several experimental results

Self-consistent EXAFS PDF Projection Method by Matched Correction of Fourier Filter Signal Distortion

International Nuclear Information System (INIS)

Lee, Jay Min; Yang, Dong-Seok

2007-01-01

Inverse problem solving computation was performed for solving PDF (pair distribution function) from simulated data EXAFS based on data FEFF. For a realistic comparison with experimental data, we chose a model of the first sub-shell Mn-0 pair showing the Jahn Teller distortion in crystalline LaMnO3. To restore the Fourier filtering signal distortion, involved in the first sub-shell information isolated from higher shell contents, relevant distortion matching function was computed initially from the proximity model, and iteratively from the prior-guess during consecutive regularization computation. Adaptive computation of EXAFS background correction is an issue of algorithm development, but our preliminary test was performed under the simulated background correction perfectly excluding the higher shell interference. In our numerical result, efficient convergence of iterative solution indicates a self-consistent tendency that a true PDF solution is convinced as a counterpart of genuine chi-data, provided that a background correction function is iteratively solved using an extended algorithm of MEPP (Matched EXAFS PDF Projection) under development

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

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

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.

Graphics interfaces and numerical simulations: Mexican Virtual Solar Observatory

Science.gov (United States)

Hernández, L.; González, A.; Salas, G.; Santillán, A.

2007-08-01

Preliminary results associated to the computational development and creation of the Mexican Virtual Solar Observatory (MVSO) are presented. Basically, the MVSO prototype consists of two parts: the first, related to observations that have been made during the past ten years at the Solar Observation Station (EOS) and at the Carl Sagan Observatory (OCS) of the Universidad de Sonora in Mexico. The second part is associated to the creation and manipulation of a database produced by numerical simulations related to solar phenomena, we are using the MHD ZEUS-3D code. The development of this prototype was made using mysql, apache, java and VSO 1.2. based GNU and `open source philosophy'. A graphic user interface (GUI) was created in order to make web-based, remote numerical simulations. For this purpose, Mono was used, because it is provides the necessary software to develop and run .NET client and server applications on Linux. Although this project is still under development, we hope to have access, by means of this portal, to other virtual solar observatories and to be able to count on a database created through numerical simulations or, given the case, perform simulations associated to solar phenomena.

EXTENDED SCALING LAWS IN NUMERICAL SIMULATIONS OF MAGNETOHYDRODYNAMIC TURBULENCE

International Nuclear Information System (INIS)

Mason, Joanne; Cattaneo, Fausto; Perez, Jean Carlos; Boldyrev, Stanislav

2011-01-01

Magnetized turbulence is ubiquitous in astrophysical systems, where it notoriously spans a broad range of spatial scales. Phenomenological theories of MHD turbulence describe the self-similar dynamics of turbulent fluctuations in the inertial range of scales. Numerical simulations serve to guide and test these theories. However, the computational power that is currently available restricts the simulations to Reynolds numbers that are significantly smaller than those in astrophysical settings. In order to increase computational efficiency and, therefore, probe a larger range of scales, one often takes into account the fundamental anisotropy of field-guided MHD turbulence, with gradients being much slower in the field-parallel direction. The simulations are then optimized by employing the reduced MHD equations and relaxing the field-parallel numerical resolution. In this work we explore a different possibility. We propose that there exist certain quantities that are remarkably stable with respect to the Reynolds number. As an illustration, we study the alignment angle between the magnetic and velocity fluctuations in MHD turbulence, measured as the ratio of two specially constructed structure functions. We find that the scaling of this ratio can be extended surprisingly well into the regime of relatively low Reynolds number. However, the extended scaling easily becomes spoiled when the dissipation range in the simulations is underresolved. Thus, taking the numerical optimization methods too far can lead to spurious numerical effects and erroneous representation of the physics of MHD turbulence, which in turn can affect our ability to identify correctly the physical mechanisms that are operating in astrophysical systems.

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.

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

Numerical simulation of two-phase flow behavior in Venturi scrubber by interface tracking method

International Nuclear Information System (INIS)

Horiguchi, Naoki; Yoshida, Hiroyuki; Abe, Yutaka

2016-01-01

Highlights: • Self-priming occur because of pressure balance between inside and outside of throat is confirmed. • VS has similar flow with a Venturi tube except of disturbance and burble flow is considered. • Some of atomization simulated are validated qualitatively by comparison with previous studies. - Abstract: From the viewpoint of protecting a containment vessel of light water reactor and suppressing the diffusion of radioactive materials from a light water reactor, it is important to develop the device which allows a filtered venting of contaminated high pressure gas. In the filtered venting system that used in European reactors, so called Multi Venturi scrubbers System is used to realize filtered venting without any power supply. This system is able to define to be composed of Venturi scrubbers (VS) and a bubble column. In the VS, scrubbing of contaminated gas is promoted by both gas releases through the submerged VS and gas-liquid contact with splay flow formed by liquid suctioned through a hole provided by the pressure difference between inner and outer regions of a throat part of the VS. However, the scrubbing mechanism of the self-priming VS including effects of gas mass flow rate and shape of the VS are understood insufficiently in the previous studies. Therefore, we started numerical and experimental study to understand the detailed two-phase flow behavior in the VS. In this paper, to understand the VS operation characteristics for the filtered venting, we performed numerical simulations of two-phase flow behavior in the VS. In the first step of this study, we perform numerical simulations of supersonic flow by the TPFIT to validate the applicability of the TPFIT for high velocity flow like flow in the VS. In the second step, numerical simulation of two-phase flow behavior in the VS including self-priming phenomena. As the results, dispersed flow in the VS was reproduced in the numerical simulation, as same as the visualization experiments.

Numerical simulation of two-phase flow behavior in Venturi scrubber by interface tracking method

Energy Technology Data Exchange (ETDEWEB)

Horiguchi, Naoki, E-mail: s1430215@u.tsukuba.ac.jp [Japan Atomic Energy Agency, 2-4, Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); University of Tsukuba, 1-1-1, Tennodai, Tsukuba, Ibaraki, 305-8577 (Japan); Yoshida, Hiroyuki [Japan Atomic Energy Agency, 2-4, Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Abe, Yutaka [University of Tsukuba, 1-1-1, Tennodai, Tsukuba, Ibaraki, 305-8577 (Japan)

2016-12-15

Highlights: • Self-priming occur because of pressure balance between inside and outside of throat is confirmed. • VS has similar flow with a Venturi tube except of disturbance and burble flow is considered. • Some of atomization simulated are validated qualitatively by comparison with previous studies. - Abstract: From the viewpoint of protecting a containment vessel of light water reactor and suppressing the diffusion of radioactive materials from a light water reactor, it is important to develop the device which allows a filtered venting of contaminated high pressure gas. In the filtered venting system that used in European reactors, so called Multi Venturi scrubbers System is used to realize filtered venting without any power supply. This system is able to define to be composed of Venturi scrubbers (VS) and a bubble column. In the VS, scrubbing of contaminated gas is promoted by both gas releases through the submerged VS and gas-liquid contact with splay flow formed by liquid suctioned through a hole provided by the pressure difference between inner and outer regions of a throat part of the VS. However, the scrubbing mechanism of the self-priming VS including effects of gas mass flow rate and shape of the VS are understood insufficiently in the previous studies. Therefore, we started numerical and experimental study to understand the detailed two-phase flow behavior in the VS. In this paper, to understand the VS operation characteristics for the filtered venting, we performed numerical simulations of two-phase flow behavior in the VS. In the first step of this study, we perform numerical simulations of supersonic flow by the TPFIT to validate the applicability of the TPFIT for high velocity flow like flow in the VS. In the second step, numerical simulation of two-phase flow behavior in the VS including self-priming phenomena. As the results, dispersed flow in the VS was reproduced in the numerical simulation, as same as the visualization experiments.

Concept and numerical simulations of a reactive anti-fragment armour layer

Science.gov (United States)

Hušek, Martin; Kala, Jiří; Král, Petr; Hokeš, Filip

2017-07-01

The contribution describes the concept and numerical simulation of a ballistic protective layer which is able to actively resist projectiles or smaller colliding fragments flying at high speed. The principle of the layer was designed on the basis of the action/reaction system of reactive armour which is used for the protection of armoured vehicles. As the designed ballistic layer consists of steel plates simultaneously combined with explosive material - primary explosive and secondary explosive - the technique of coupling the Finite Element Method with Smoothed Particle Hydrodynamics was used for the simulations. Certain standard situations which the ballistic layer should resist were simulated. The contribution describes the principles for the successful execution of numerical simulations, their results, and an evaluation of the functionality of the ballistic layer.

Lagrangian numerical methods for ocean biogeochemical simulations

Science.gov (United States)

Paparella, Francesco; Popolizio, Marina

2018-05-01

We propose two closely-related Lagrangian numerical methods for the simulation of physical processes involving advection, reaction and diffusion. The methods are intended to be used in settings where the flow is nearly incompressible and the Péclet numbers are so high that resolving all the scales of motion is unfeasible. This is commonplace in ocean flows. Our methods consist in augmenting the method of characteristics, which is suitable for advection-reaction problems, with couplings among nearby particles, producing fluxes that mimic diffusion, or unresolved small-scale transport. The methods conserve mass, obey the maximum principle, and allow to tune the strength of the diffusive terms down to zero, while avoiding unwanted numerical dissipation effects.

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

Modeling of LH current drive in self-consistent elongated tokamak MHD equilibria

International Nuclear Information System (INIS)

Blackfield, D.T.; Devoto, R.S.; Fenstermacher, M.E.; Bonoli, P.T.; Porkolab, M.; Yugo, J.

1989-01-01

Calculations of non-inductive current drive typically have been used with model MHD equilibria which are independently generated from an assumed toroidal current profile or from a fit to an experiment. Such a method can lead to serious errors since the driven current can dramatically alter the equilibrium and changes in the equilibrium B-fields can dramatically alter the current drive. The latter effect is quite pronounced in LH current drive where the ray trajectories are sensitive to the local values of the magnetic shear and the density gradient. In order to overcome these problems, we have modified a LH simulation code to accommodate elongated plasmas with numerically generated equilibria. The new LH module has been added to the ACCOME code which solves for current drive by neutral beams, electric fields, and bootstrap effects in a self-consistent 2-D equilibrium. We briefly describe the model in the next section and then present results of a study of LH current drive in ITER. 2 refs., 6 figs., 2 tabs

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

Numerical simulation of self-induced rainout using a dynamic convective cloud model

International Nuclear Information System (INIS)

Molenkamp, C.R.

1980-03-01

The hypothesis that self-induced rainout can occur is supported by observations in Hiroshima and Nagasaki, where deposition of weapons debris with precipitation occurred several km downwind of the burst point. This precipitation was initiated either directly by the nuclear weapons or by the ensuing fires. Simulation of the Nagasaki event with a convection cloud precipitation scavenging model, although fraught with many questionable assumptions, agrees surprisingly well with the observations and supports the hypothesis that self-induced rainout can occur

Numerical simulation of Rayleigh-Taylor turbulent mixing layers

International Nuclear Information System (INIS)

Poujade, O.; Lardjane, N.; Peybernes, M.; Boulet, M.

2009-01-01

Accelerations in actual Rayleigh-Taylor instabilities are often variable. This article focuses on a particular class of variable accelerations where g(t) ∝ t n . A reference database is built from high resolution hydrodynamic numerical simulations. The successful comparison with a simple OD analytical model and the statistical 2SFK (2-Structure, 2-Fluid, 2-Turbulence) turbulence model is provided. Moreover, we show the difference between the mechanism at play in the Rayleigh-Taylor turbulent mixing zone and Kolmogorov's in the self similar developed turbulent regime. (authors)

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…

GPU based numerical simulation of core shooting process

Directory of Open Access Journals (Sweden)

Yi-zhong Zhang

2017-11-01

Full Text Available Core shooting process is the most widely used technique to make sand cores and it plays an important role in the quality of sand cores. Although numerical simulation can hopefully optimize the core shooting process, research on numerical simulation of the core shooting process is very limited. Based on a two-fluid model (TFM and a kinetic-friction constitutive correlation, a program for 3D numerical simulation of the core shooting process has been developed and achieved good agreements with in-situ experiments. To match the needs of engineering applications, a graphics processing unit (GPU has also been used to improve the calculation efficiency. The parallel algorithm based on the Compute Unified Device Architecture (CUDA platform can significantly decrease computing time by multi-threaded GPU. In this work, the program accelerated by CUDA parallelization method was developed and the accuracy of the calculations was ensured by comparing with in-situ experimental results photographed by a high-speed camera. The design and optimization of the parallel algorithm were discussed. The simulation result of a sand core test-piece indicated the improvement of the calculation efficiency by GPU. The developed program has also been validated by in-situ experiments with a transparent core-box, a high-speed camera, and a pressure measuring system. The computing time of the parallel program was reduced by nearly 95% while the simulation result was still quite consistent with experimental data. The GPU parallelization method can successfully solve the problem of low computational efficiency of the 3D sand shooting simulation program, and thus the developed GPU program is appropriate for engineering applications.

Simulating variable-density flows with time-consistent integration of Navier-Stokes equations

Science.gov (United States)

Lu, Xiaoyi; Pantano, Carlos

2017-11-01

In this talk, we present several features of a high-order semi-implicit variable-density low-Mach Navier-Stokes solver. A new formulation to solve pressure Poisson-like equation of variable-density flows is highlighted. With this formulation of the numerical method, we are able to solve all variables with a uniform order of accuracy in time (consistent with the time integrator being used). The solver is primarily designed to perform direct numerical simulations for turbulent premixed flames. Therefore, we also address other important elements, such as energy-stable boundary conditions, synthetic turbulence generation, and flame anchoring method. Numerical examples include classical non-reacting constant/variable-density flows, as well as turbulent premixed flames.

Phase-field simulation of microstructure formation in technical castings - A self-consistent homoenthalpic approach to the micro-macro problem

Science.gov (United States)

Böttger, B.; Eiken, J.; Apel, M.

2009-10-01

Performing microstructure simulation of technical casting processes suffers from the strong interdependency between latent heat release due to local microstructure formation and heat diffusion on the macroscopic scale: local microstructure formation depends on the macroscopic heat fluxes and, in turn, the macroscopic temperature solution depends on the latent heat release, and therefore on the microstructure formation, in all parts of the casting. A self-consistent homoenthalpic approximation to this micro-macro problem is proposed, based on the assumption of a common enthalpy-temperature relation for the whole casting which is used for the description of latent heat production on the macroscale. This enthalpy-temperature relation is iteratively obtained by phase-field simulations on the microscale, thus taking into account the specific morphological impact on the latent heat production. This new approach is discussed and compared to other approximations for the coupling of the macroscopic heat flux to complex microstructure models. Simulations are performed for the binary alloy Al-3at%Cu, using a multiphase-field solidification model which is coupled to a thermodynamic database. Microstructure formation is simulated for several positions in a simple model plate casting, using a one-dimensional macroscopic temperature solver which can be directly coupled to the microscopic phase-field simulation tool.

Phase-field simulation of microstructure formation in technical castings - A self-consistent homoenthalpic approach to the micro-macro problem

International Nuclear Information System (INIS)

Boettger, B.; Eiken, J.; Apel, M.

2009-01-01

Performing microstructure simulation of technical casting processes suffers from the strong interdependency between latent heat release due to local microstructure formation and heat diffusion on the macroscopic scale: local microstructure formation depends on the macroscopic heat fluxes and, in turn, the macroscopic temperature solution depends on the latent heat release, and therefore on the microstructure formation, in all parts of the casting. A self-consistent homoenthalpic approximation to this micro-macro problem is proposed, based on the assumption of a common enthalpy-temperature relation for the whole casting which is used for the description of latent heat production on the macroscale. This enthalpy-temperature relation is iteratively obtained by phase-field simulations on the microscale, thus taking into account the specific morphological impact on the latent heat production. This new approach is discussed and compared to other approximations for the coupling of the macroscopic heat flux to complex microstructure models. Simulations are performed for the binary alloy Al-3at%Cu, using a multiphase-field solidification model which is coupled to a thermodynamic database. Microstructure formation is simulated for several positions in a simple model plate casting, using a one-dimensional macroscopic temperature solver which can be directly coupled to the microscopic phase-field simulation tool.

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

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.

Practical integrated simulation systems for coupled numerical simulations in parallel

Energy Technology Data Exchange (ETDEWEB)

Osamu, Hazama; Zhihong, Guo [Japan Atomic Energy Research Inst., Centre for Promotion of Computational Science and Engineering, Tokyo (Japan)

2003-07-01

In order for the numerical simulations to reflect 'real-world' phenomena and occurrences, incorporation of multidisciplinary and multi-physics simulations considering various physical models and factors are becoming essential. However, there still exist many obstacles which inhibit such numerical simulations. For example, it is still difficult in many instances to develop satisfactory software packages which allow for such coupled simulations and such simulations will require more computational resources. A precise multi-physics simulation today will require parallel processing which again makes it a complicated process. Under the international cooperative efforts between CCSE/JAERI and Fraunhofer SCAI, a German institute, a library called the MpCCI, or Mesh-based Parallel Code Coupling Interface, has been implemented together with a library called STAMPI to couple two existing codes to develop an 'integrated numerical simulation system' intended for meta-computing environments. (authors)

Numerical simulation study for atomic-resolution x-ray fluorescence holography

International Nuclear Information System (INIS)

Xie Honglan; Gao Hongyi; Chen Jianwen; Xiong Shisheng; Xu Zhizhan; Wang Junyue; Zhu Peiping; Xian Dingchang

2003-01-01

Based on the principle of x-ray fluorescence holography, an iron single crystal model of a body-centred cubic lattice is numerically simulated. From the fluorescence hologram produced numerically, the Fe atomic images were reconstructed. The atomic images of the (001), (100), (010) crystallographic planes were consistent with the corresponding atomic positions of the model. The result indicates that one can obtain internal structure images of single crystals at atomic-resolution by using x-ray fluorescence holography

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

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.

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

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

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

Numerical simulation of pseudoelastic shape memory alloys using the large time increment method

Science.gov (United States)

Gu, Xiaojun; Zhang, Weihong; Zaki, Wael; Moumni, Ziad

2017-04-01

The paper presents a numerical implementation of the large time increment (LATIN) method for the simulation of shape memory alloys (SMAs) in the pseudoelastic range. The method was initially proposed as an alternative to the conventional incremental approach for the integration of nonlinear constitutive models. It is adapted here for the simulation of pseudoelastic SMA behavior using the Zaki-Moumni model and is shown to be especially useful in situations where the phase transformation process presents little or lack of hardening. In these situations, a slight stress variation in a load increment can result in large variations of strain and local state variables, which may lead to difficulties in numerical convergence. In contrast to the conventional incremental method, the LATIN method solve the global equilibrium and local consistency conditions sequentially for the entire loading path. The achieved solution must satisfy the conditions of static and kinematic admissibility and consistency simultaneously after several iterations. 3D numerical implementation is accomplished using an implicit algorithm and is then used for finite element simulation using the software Abaqus. Computational tests demonstrate the ability of this approach to simulate SMAs presenting flat phase transformation plateaus and subjected to complex loading cases, such as the quasi-static behavior of a stent structure. Some numerical results are contrasted to those obtained using step-by-step incremental integration.

Numerical simulations of the radio-frequency-driven toroidal current in tokamaks

International Nuclear Information System (INIS)

Peysson, Y.; Decker, J.

2014-01-01

Radio-frequency (rf) waves are a powerful tool for improving the performance and stability of tokamak plasmas through heating and current drive mechanisms, allowing current density profile control and steady-state operation. From first principles, and taking advantage from the ordering between the various time and space scales, fast and powerful numerical tools have been developed to calculate the rf-driven current. The current drive problem in tokamaks is first introduced with the purpose of maintaining a steady-state self-organized toroidal magnetohydrodynamic equilibrium, such that a minimal amount of the fusion power has to be recycled to control the plasma current. The strict criterion that characterizes a steady-state discharge is derived from the response of the tokamak, considered as a transformer, and of the plasma, when an external source of current is applied. The calculation of a rf-driven source of current requires solving self-consistently a set of equations describing the dynamics of wave fields and charged particles in an inhomogeneous magnetized plasma. The range of applicability of these equations is discussed, as well as numerical methods developed to solve them, such as the ray-tracing code C3PO and the three-dimensional linearized relativistic bounce-averaged electron Fokker-Planck solver LUKE. Simulations of current drive by lower-hybrid waves are presented to illustrate the applications of our numerical tools. Current drive modeling includes the effect of electron density fluctuations at the plasma edge, and the case of electron cyclotron waves used for stabilization of the 3/2 neoclassical tearing modes in ITER is studied in detail. Finally, ongoing developments, including cross effects between momentum and configuration spaces, aiming at improving current drive calculations are discussed. (authors)

Development and successful operation of the enhanced-interlink system of experiment data and numerical simulation in LHD

International Nuclear Information System (INIS)

Emoto, M.; Suzuki, C.; Suzuki, Y.; Yokoyama, M.; Seki, R.; Ida, K.

2014-10-01

The enhanced-interlink system of experiment data and numerical simulation has been developed, and successfully operated routinely in the Large Helical Device (LHD). This system consists of analyzed diagnostic data, real-time coordinate mapping, and automatic data processing. It has enabled automated data handling/transferring between experiment and numerical simulation, to extensively perform experiment analyses. It can be considered as one of the prototypes for a seamless data-centric approach for integrating experiment data and numerical simulation/modellings in fusion experiments. Utilizing this system, experimental analyses by numerical simulations have extensively progressed. The authors believe this data-centric approach for integrating experiment data and numerical simulation/modellings will contribute to not only the LHD but to other plasma fusion projects including DEMO reactor in the future. (author)

Numerical simulation of a mistral wind event occuring

Science.gov (United States)

Guenard, V.; Caccia, J. L.; Tedeschi, G.

2003-04-01

The experimental network of the ESCOMPTE field experiment (june-july 2001) is turned into account to investigate the Mistral wind affecting the Marseille area (South of France). Mistral wind is a northerly flow blowing across the Rhône valley and toward the Mediterranean sea resulting from the dynamical low pressure generated in the wake of the Alps ridge. It brings cold, dry air masses and clear sky conditions over the south-eastern part of France. Up to now, few scientific studies have been carried out on the Mistral wind especially the evolution of its 3-D structure so that its mesoscale numerical simulation is still relevant. Non-hydrostatic RAMS model is performed to better investigate this mesoscale phenomena. Simulations at a 12 km horizontal resolution are compared to boundary layer wind profilers and ground measurements. Preliminary results suit quite well with the Mistral statistical studies carried out by the operational service of Météo-France and observed wind profiles are correctly reproduced by the numerical model RAMS which appears to be an efficient tool for its understanding of Mistral. Owing to the absence of diabatic effect in Mistral events which complicates numerical simulations, the present work is the first step for the validation of RAMS model in that area. Further works will consist on the study of the interaction of Mistral wind with land-sea breeze. Also, RAMS simulations will be combined with aerosol production and ocean circulation models to supply chemists and oceanographers with some answers for their studies.

APPLICATION OF FLOW SIMULATION FOR EVALUATION OF FILLING-ABILITY OF SELF-COMPACTING CONCRETE

Science.gov (United States)

Urano, Shinji; Nemoto, Hiroshi; Sakihara, Kohei

In this paper, MPS method was applied to fluid an alysis of self-compacting concrete. MPS method is one of the particle method, and it is suitable for the simulation of moving boundary or free surface problems and large deformation problems. The constitutive equation of self-compacting concrete is assumed as bingham model. In order to investigate flow Stoppage and flow speed of self-compacting concrete, numerical analysis examples of slump flow and L-flow test were performed. In addition, to evaluate verification of compactability of self-compacting concrete, numerical analys is examples of compaction at the part of CFT diaphragm were performed. As a result, it was found that the MPS method was suitable for the simulation of compaction of self-compacting concrete, and a just appraisal was obtained by setting shear strain rate of flow-limit πc and limitation point of segregation.

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

2D numerical simulation of the resistive reconnection layer

International Nuclear Information System (INIS)

Uzdensky, D. A.; Kulsrud, R. M.

2000-01-01

In this paper the authors present a two-dimensional numerical simulation of a reconnection current layer in incompressible resistive magnetohydrodynamics with uniform resistivity in the limit of very large Lundquist numbers. They use realistic boundary conditions derived consistently from the outside magnetic field, and they also take into account the effect of the backpressure from flow into the separatrix region. They find that within a few Alfven times the system reaches a steady state consistent with the Sweet-Parker model, even if the initial state is Petschek-like

Numerical simulation of self-priming phenomena in venturi scrubber by two-phase flow simulation code TPFIT

International Nuclear Information System (INIS)

Horiguchi, Naoki; Kanagawa, Tetsuya; Kaneko, Akiko; Abe, Yutaka; Yoshida, Hiroyuki

2015-01-01

In the wake of Fukushima Daiichi nuclear disaster, reviews of the safety of nuclear facilities have been conducted in the world beginning with Japan. Countermeasures against severe accidents in nuclear power plants are an urgent need. In particular, from the viewpoint of protecting containment and suppressing diffusion of the radioactive materials, it is important to install filtered venting devices to release high pressure pollutant gas to the atmosphere with elimination radioactive materials in the gas. One of the devices for the filtered venting is a Multi venturi scrubber system (MVSS), which is used to realize filtered venting without any power supply in European reactors. The MVSS is composed of a “venturi Scrubbers” part, in which there are hundreds of the venturi scrubbers, and a “bubble column” part. In the MVSS, all of the venturi scrubbers is branched off from a vent line which connect between the containment and the MVSS. In an operation mode of the MVSS, the radioactive materials are eliminated through the gas-liquid interface from the pollutant gas to the liquid phase of a dispersed flow in the venturi scrubber and a bubbly flow in the bubble column part. The dispersed flow is formed from the liquid, which is suctioned from around the venturi scrubber through the hole for suction (called self-priming). In previous studies, an evaluation method for the scrubbing performance of the venturi scrubber was developed. However, actual hydraulic behavior in it is too complicated, the previous evaluation was not validated the hydraulic behavior and studied the effect of differences between the simulated hydraulic behavior and an actual one on the performance of the venturi scrubber. To develop a validated evaluation method for the scrubbing performance, it is important to develop detailed evaluation method for the hydraulic behavior in the venturi scrubber. To simulate the complicated hydraulic behavior, we consider to use analysis code TPFIT. Then, the

NUMERICAL SIMULATION OF SHOCK WAVE REFRACTION ON INCLINED CONTACT DISCONTINUITY

Directory of Open Access Journals (Sweden)

P. V. Bulat

2016-05-01

Full Text Available We consider numerical simulation of shock wave refraction on plane contact discontinuity, separating two gases with different density. Discretization of Euler equations is based on finite volume method and WENO finite difference schemes, implemented on unstructured meshes. Integration over time is performed with the use of the third-order Runge–Kutta stepping procedure. The procedure of identification and classification of gas dynamic discontinuities based on conditions of dynamic consistency and image processing methods is applied to visualize and interpret the results of numerical calculations. The flow structure and its quantitative characteristics are defined. The results of numerical and experimental visualization (shadowgraphs, schlieren images, and interferograms are compared.

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

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.

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.

Numerical Simulation of Cyclic Thermodynamic Processes

DEFF Research Database (Denmark)

Andersen, Stig Kildegård

2006-01-01

This thesis is on numerical simulation of cyclic thermodynamic processes. A modelling approach and a method for finding periodic steady state solutions are described. Examples of applications are given in the form of four research papers. Stirling machines and pulse tube coolers are introduced...... and a brief overview of the current state of the art in methods for simulating such machines is presented. It was found that different simulation approaches, which model the machines with different levels of detail, currently coexist. Methods using many simplifications can be easy to use and can provide...... models flexible and easy to modify, and to make simulations fast. A high level of accuracy was achieved for integrations of a model created using the modelling approach; the accuracy depended on the settings for the numerical solvers in a very predictable way. Selection of fast numerical algorithms...

Numerical simulation of flood barriers

Science.gov (United States)

Srb, Pavel; Petrů, Michal; Kulhavý, Petr

This paper deals with testing and numerical simulating of flood barriers. The Czech Republic has been hit by several very devastating floods in past years. These floods caused several dozens of causalities and property damage reached billions of Euros. The development of flood measures is very important, especially for the reduction the number of casualties and the amount of property damage. The aim of flood control measures is the detention of water outside populated areas and drainage of water from populated areas as soon as possible. For new flood barrier design it is very important to know its behaviour in case of a real flood. During the development of the barrier several standardized tests have to be carried out. Based on the results from these tests numerical simulation was compiled using Abaqus software and some analyses were carried out. Based on these numerical simulations it will be possible to predict the behaviour of barriers and thus improve their design.

GPU accelerated fully space and time resolved numerical simulations of self-focusing laser beams in SBS-active media

Energy Technology Data Exchange (ETDEWEB)

Mauger, Sarah; Colin de Verdière, Guillaume [CEA-DAM, DIF, 91297 Arpajon (France); Bergé, Luc, E-mail: luc.berge@cea.fr [CEA-DAM, DIF, 91297 Arpajon (France); Skupin, Stefan [Max Planck Institute for the Physics of Complex Systems, 01187 Dresden (Germany); Friedrich Schiller University, Institute of Condensed Matter Theory and Optics, 07743 Jena (Germany)

2013-02-15

A computer cluster equipped with Graphics Processing Units (GPUs) is used for simulating nonlinear optical wave packets undergoing Kerr self-focusing and stimulated Brillouin scattering in fused silica. We first recall the model equations in full (3+1) dimensions. These consist of two coupled nonlinear Schrödinger equations for counterpropagating optical beams closed with a source equation for light-induced acoustic waves seeded by thermal noise. Compared with simulations on a conventional cluster of Central Processing Units (CPUs), GPU-based computations allow us to use a significant (16 times) larger number of mesh points within similar computation times. Reciprocally, simulations employing the same number of mesh points are between 3 and 20 times faster on GPUs than on the same number of classical CPUs. Performance speedups close to 45 are reported for isolated functions evaluating, e.g., the optical nonlinearities. Since the field intensities may reach the ionization threshold of silica, the action of a defocusing electron plasma is also addressed.

GPU accelerated fully space and time resolved numerical simulations of self-focusing laser beams in SBS-active media

International Nuclear Information System (INIS)

Mauger, Sarah; Colin de Verdière, Guillaume; Bergé, Luc; Skupin, Stefan

2013-01-01

A computer cluster equipped with Graphics Processing Units (GPUs) is used for simulating nonlinear optical wave packets undergoing Kerr self-focusing and stimulated Brillouin scattering in fused silica. We first recall the model equations in full (3+1) dimensions. These consist of two coupled nonlinear Schrödinger equations for counterpropagating optical beams closed with a source equation for light-induced acoustic waves seeded by thermal noise. Compared with simulations on a conventional cluster of Central Processing Units (CPUs), GPU-based computations allow us to use a significant (16 times) larger number of mesh points within similar computation times. Reciprocally, simulations employing the same number of mesh points are between 3 and 20 times faster on GPUs than on the same number of classical CPUs. Performance speedups close to 45 are reported for isolated functions evaluating, e.g., the optical nonlinearities. Since the field intensities may reach the ionization threshold of silica, the action of a defocusing electron plasma is also addressed

Numerical simulation of abutment pressure redistribution during face advance

Science.gov (United States)

Klishin, S. V.; Lavrikov, S. V.; Revuzhenko, A. F.

2017-12-01

The paper presents numerical simulation data on the abutment pressure redistribution in rock mass during face advance, including isolines of maximum shear stress and pressure epures. The stress state of rock in the vicinity of a breakage heading is calculated by the finite element method using a 2D nonlinear model of a structurally heterogeneous medium with regard to plasticity and internal self-balancing stress. The thus calculated stress field is used as input data for 3D discrete element modeling of the process. The study shows that the abutment pressure increases as the roof span extends and that the distance between the face breast and the peak point of this pressure depends on the elastoplastic properties and internal self-balancing stress of a rock medium.

Comments on numerical simulations

International Nuclear Information System (INIS)

Sato, T.

1984-01-01

The author comments on a couple of things about numerical simulation. One is just about the philosophical discussion that is, spontaneous or driven. The other thing is the numerical or technical one. Frankly, the author didn't want to touch on the technical matter because this should be a common sense one for those who are working at numerical simulation. But since many people take numerical simulation results at their face value, he would like to remind you of the reality hidden behind them. First, he would point out that the meaning of ''driven'' in driven reconnection is different from that defined by Schindler or Akasofu. The author's definition is closer to Axford's definition. In the spontaneous case, for some unpredicted reason an excess energy of the system is suddenly released at a certain point. However, one does not answer how such an unstable state far beyond a stable limit is realized in the magnetotail. In the driven case, there is a definite energy buildup phase starting from a stable state; namely, energy in the black box increases from a stable level subject to an external source. When the state has reached a certain position, the energy is released suddenly. The difference between driven and spontaneous is whether the cause (plasma flow) to trigger reconnection is specified or reconnection is triggered unpredictably. Another difference is that in driven reconnection the reconnection rate is dependent on the speed of the external plasma flow, but in spontaneous reconnection the rate is dependent on the internal condition such as the resistivity

Numerical simulation of a semi-indirect evaporative cooler

Energy Technology Data Exchange (ETDEWEB)

Martin, R. Herrero [Departamento de Ingenieria Termica y de Fluidos, Universidad Politecnica de Cartagena, C/Dr. Fleming, s/n (Campus Muralla), 30202 Cartagena, Murcia (Spain)

2009-11-15

This paper presents the experimental study and numerical simulation of a semi-indirect evaporative cooler (SIEC), which acts as an energy recovery device in air conditioning systems. The numerical simulation was conducted by applying the CFD software FLUENT implementing a UDF to model evaporation/condensation. The numerical model was validated by comparing the simulation results with experimental data. Experimental data and numerical results agree for the lower relative humidity series but not for higher relative humidity values. (author)

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.

Introduction to 3+1 numerical relativity

CERN Document Server

Alcubierre, Miguel

2008-01-01

This book introduces the modern field of 3+1 numerical relativity. The book has been written in a way as to be as self-contained as possible, and only assumes a basic knowledge of special relativity. Starting from a brief introduction to general relativity, it discusses the different concepts and tools necessary for the fully consistent numerical simulation of relativistic astrophysical systems, with strong and dynamical gravitational fields. Among the topics discussed in detail arethe following: the initial data problem, hyperbolic reductions of the field equations, gauge conditions, the evol

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

Numerical simulation of the knotted nylon netting panel

Directory of Open Access Journals (Sweden)

Li Yuwei

2016-01-01

Full Text Available A piece of netting, consists of the 8 8 meshes, fixed on a square frame, was simulated and the tensions and their distribution, the positions of knots and netting shape were calculated by means of MATLAB in computer. The dynamic mathematic model was developed based on lumped mass method, the netting was treated as spring-mass system, the Runge-Kutta fifth-order and sixth-order method was used to solve the differential equations for every step, then the displacement and tension of each mass point were obtained. For verify this model, the tests have been carried out in a flume tank. The results of the numerical simulation fully agreed with the experiments.

Remote Numerical Simulations of the Interaction of High Velocity Clouds with Random Magnetic Fields

Science.gov (United States)

Santillan, Alfredo; Hernandez--Cervantes, Liliana; Gonzalez--Ponce, Alejandro; Kim, Jongsoo

The numerical simulations associated with the interaction of High Velocity Clouds (HVC) with the Magnetized Galactic Interstellar Medium (ISM) are a powerful tool to describe the evolution of the interaction of these objects in our Galaxy. In this work we present a new project referred to as Theoretical Virtual i Observatories. It is oriented toward to perform numerical simulations in real time through a Web page. This is a powerful astrophysical computational tool that consists of an intuitive graphical user interface (GUI) and a database produced by numerical calculations. In this Website the user can make use of the existing numerical simulations from the database or run a new simulation introducing initial conditions such as temperatures, densities, velocities, and magnetic field intensities for both the ISM and HVC. The prototype is programmed using Linux, Apache, MySQL, and PHP (LAMP), based on the open source philosophy. All simulations were performed with the MHD code ZEUS-3D, which solves the ideal MHD equations by finite differences on a fixed Eulerian mesh. Finally, we present typical results that can be obtained with this tool.

Configuration Management File Manager Developed for Numerical Propulsion System Simulation

Science.gov (United States)

Follen, Gregory J.

1997-01-01

One of the objectives of the High Performance Computing and Communication Project's (HPCCP) Numerical Propulsion System Simulation (NPSS) is to provide a common and consistent way to manage applications, data, and engine simulations. The NPSS Configuration Management (CM) File Manager integrated with the Common Desktop Environment (CDE) window management system provides a common look and feel for the configuration management of data, applications, and engine simulations for U.S. engine companies. In addition, CM File Manager provides tools to manage a simulation. Features include managing input files, output files, textual notes, and any other material normally associated with simulation. The CM File Manager includes a generic configuration management Application Program Interface (API) that can be adapted for the configuration management repositories of any U.S. engine company.

Three-dimensional self-consistent radiation transport model for the fluid simulation of plasma display panel cell

International Nuclear Information System (INIS)

Kim, H.C.; Yang, S.S.; Lee, J.K.

2003-01-01

In plasma display panels (PDPs), the resonance radiation trapping is one of the important processes. In order to incorporate this effect in a PDP cell, a three-dimensional radiation transport model is self-consistently coupled with a fluid simulation. This model is compared with the conventional trapping factor method in gas mixtures of neon and xenon. It shows the differences in the time evolutions of spatial profile and the total number of resonant excited states, especially in the afterglow. The generation rates of UV light are also compared for the two methods. The visible photon flux reaching the output window from the phosphor layers as well as the total UV photon flux arriving at the phosphor layer from the plasma region are calculated for resonant and nonresonant excited species. From these calculations, the time-averaged spatial profiles of the UV flux on the phosphor layers and the visible photon flux through the output window are obtained. Finally, the diagram of the energy efficiency and the contribution of each UV light are shown

Numerical consistency check between two approaches to radiative ...

Indian Academy of Sciences (India)

approaches for a consistency check on numerical accuracy, and find out the stabil- ... ln(MR/1 GeV) to top-quark mass scale t0(= ln(mt/1 GeV)) where t0 ≤ t ≤ tR, we ..... It is in general to tone down the solar mixing angle through further fine.

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.

Numerical simulation of sand jet in water

Energy Technology Data Exchange (ETDEWEB)

Azimi, A.H.; Zhu, D.; Rajaratnam, N. [Alberta Univ., Edmonton, AB (Canada). Dept. of Civil and Environmental Engineering

2008-07-01

A numerical simulation of sand jet in water was presented. The study involved a two-phase flow using two-phase turbulent jets. A literature review was also presented, including an experiment on particle laden air jet using laser doppler velocimetry (LDV); experiments on the effect of particle size and concentration on solid-gas jets; an experimental study of solid-liquid jets using particle image velocimetry (PIV) technique where mean velocity and fluctuations were measured; and an experimental study on solid-liquid jets using the laser doppler anemometry (LDA) technique measuring both water axial and radial velocities. Other literature review results included a photographic study of sand jets in water; a comparison of many two-phase turbulent flow; and direct numerical simulation and large-eddy simulation to study the effect of particle in gas jet flow. The mathematical model and experimental setup were also included in the presentation along with simulation results for sand jets, concentration, and kinetic energy. The presentation concluded with some proposed future studies including numerical simulation of slurry jets in water and numerical simulation of slurry jets in MFT. tabs., figs.

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

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

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.

Numerical simulation of pool boiling of a Lennard-Jones liquid

KAUST Repository

Inaoka, Hajime; Ito, Nobuyasu

2013-01-01

We performed a numerical simulation of pool boiling by a molecular dynamics model. In the simulation, a liquid composed of Lennard-Jones particles in a uniform gravitational field is heated by a heat source at the bottom of the system. The model successfully reproduces the change in regimes of boiling from nucleate boiling to film boiling with the increase of the heat source temperature. We present the pool boiling curve by the model, whose general behavior is consistent with those observed in experiments of pool boiling. © 2013 Elsevier B.V. All rights reserved.

Numerical simulation of pool boiling of a Lennard-Jones liquid

KAUST Repository

Inaoka, Hajime

2013-09-01

We performed a numerical simulation of pool boiling by a molecular dynamics model. In the simulation, a liquid composed of Lennard-Jones particles in a uniform gravitational field is heated by a heat source at the bottom of the system. The model successfully reproduces the change in regimes of boiling from nucleate boiling to film boiling with the increase of the heat source temperature. We present the pool boiling curve by the model, whose general behavior is consistent with those observed in experiments of pool boiling. © 2013 Elsevier B.V. All rights reserved.

Self-consistent Maxwell-Bloch model of quantum-dot photonic-crystal-cavity lasers

Science.gov (United States)

Cartar, William; Mørk, Jesper; Hughes, Stephen

2017-08-01

We present a powerful computational approach to simulate the threshold behavior of photonic-crystal quantum-dot (QD) lasers. Using a finite-difference time-domain (FDTD) technique, Maxwell-Bloch equations representing a system of thousands of statistically independent and randomly positioned two-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 the model. These Maxwell-Bloch equations are implemented by using Lumerical's flexible material plug-in tool, which allows a user to define additional equations of motion for the nonlinear polarization. We implement the gain ensemble within triangular-lattice photonic-crystal cavities of various length N (where N refers to the number of missing holes), and investigate the cavity mode characteristics and the threshold regime as a function of cavity length. We develop effective two-dimensional model simulations which are derived after studying the full three-dimensional passive material structures by matching the cavity quality factors and resonance properties. We also demonstrate how to obtain the correct point-dipole radiative decay rate from Fermi's golden rule, which is captured naturally by the FDTD method. Our numerical simulations predict that the pump threshold plateaus around cavity lengths greater than N =9 , which we identify as a consequence of the complex spatial dynamics and gain coupling from the inhomogeneous QD ensemble. This behavior is not expected from simple rate-equation analysis commonly adopted in the literature, but is in qualitative agreement with recent experiments. Single-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

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

Numerical simulation of flow-induced vibrations in tube bundles

International Nuclear Information System (INIS)

Elisabeth Longatte; Zaky Bendjeddou; Mhamed Souli

2005-01-01

Full text of publication follows: In many industrial components mechanical structures like rod cluster control assembly, fuel assembly and heat exchanger tube bundles are submitted to complex flows causing possible vibrations and damage. Fluid forces are usually split into two parts: structure motion independent forces and fluid-elastic forces coupled with tube motion and responsible for possible dynamic instability development leading to possible short term failures through high amplitude vibrations. Most classical fluid force identification methods rely on structure response experimental measurements associated with convenient data processes. Owing to recent improvements in Computational Fluid Dynamics (C.F.D.), numerical fluid force identification is now practicable in the presence of industrial configurations. The present paper is devoted to numerical simulation of flow-induced vibrations of tube bundles submitted to single-phase cross flows by using C.F.D. codes. Direct Numerical Simulation (D.N.S.), Arbitrary Lagrange Euler formulation (A.L.E.) and code coupling process are involved to predict fluid forces responsible for tube bundle vibrations in the presence of fluid structure and fluid-elastic coupling effects. In the presence of strong multi-physics coupling, simulation of flow-induced vibrations requires a fluid structure code coupling process. The methodology consists in solving in the same time thermohydraulics and mechanics problems by using an A.L.E. formulation for the fluid computation. The purpose is to take into account coupling between flow and structure motions in order to be able to capture coupling effects. From a numerical point of view, there are three steps in the computation: the fluid problem is solved on the computational domain; fluid forces acting on the moving tube are estimated; finally they are introduced in the structure solver providing the tube displacement that is used to actualize the fluid computational domain. Specific

Numerical simulation of laser filamentation in underdense plasma

International Nuclear Information System (INIS)

Yu Lichun; Chen Zhihua; Tu Qinfen

2000-01-01

Developing process of filamentation and effect of characteristic parameters in underdense plasma have been studied using numerical simulation method. Production and development of two-dimensional cylinder filamentation instability were presented clearly. The results indicate incidence laser intensity and plasma background density are important factors affecting convergent intensity. At the same time, it was showed that different laser wavelength or different electron background density could affect filamentation process. The results are consistent with theory and experiments of alien reports. It can provide reference for restraining filamentation

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

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.

Numerical and experimental investigation of the self-inducing turbine aeration capacity

International Nuclear Information System (INIS)

Achouri, Ryma; Dhaouadi, Hatem; Mhiri, Hatem; Bournot, Philippe

2014-01-01

Highlights: • Numerical and experimental study of k L a coefficient of a self-inducing turbine. • Validation of experimental results. • Numerical study of k L a variation with the variation of impeller submersion and blade inclination. • Numerical study of the flow field and hydrodynamic parameters. - Abstract: Self-inducing turbines are a model of mixers that ensure the aeration of a fluid field without using a sparger and a surface aerator. Nevertheless, this type of turbines remain quite complicated in terms of behavior of the fluid within the tank, and its actual aeration capacity varies depending on the type of turbine used. The studied turbine is self-inducing and made of three blades and each blade contains five holes. In this work, we evaluated experimentally – using the technique of dynamic oxygenation and deoxygenating – the aeration capacity of our impeller by calculating the volumetric mass transfer coefficient k L a for various submergences and various inclination angles of the blade. This work was then validated by a numerical modeling using the commercial code Fluent, and the flow within the tank as well as the evolution of the hydrodynamic parameters was also studied. The simulation is steady state with a VOF multiphase model and the realizable k–ε turbulence model. We finally concluded that k L a decreases with the increase of the inclination angle and with the increase of the submergence of our turbine. We could also study the hydrodynamic parameters of the flow such as the power number, the aeration number and the shear rate

Numerical methods in simulation of resistance welding

DEFF Research Database (Denmark)

Nielsen, Chris Valentin; Martins, Paulo A.F.; Zhang, Wenqi

2015-01-01

Finite element simulation of resistance welding requires coupling betweenmechanical, thermal and electrical models. This paper presents the numerical models and theircouplings that are utilized in the computer program SORPAS. A mechanical model based onthe irreducible flow formulation is utilized...... a resistance welding point of view, the most essential coupling between the above mentioned models is the heat generation by electrical current due to Joule heating. The interaction between multiple objects is anothercritical feature of the numerical simulation of resistance welding because it influences...... thecontact area and the distribution of contact pressure. The numerical simulation of resistancewelding is illustrated by a spot welding example that includes subsequent tensile shear testing...

Coincidental match of numerical simulation and physics

Science.gov (United States)

Pierre, B.; Gudmundsson, J. S.

2010-08-01

Consequences of rapid pressure transients in pipelines range from increased fatigue to leakages and to complete ruptures of pipeline. Therefore, accurate predictions of rapid pressure transients in pipelines using numerical simulations are critical. State of the art modelling of pressure transient in general, and water hammer in particular include unsteady friction in addition to the steady frictional pressure drop, and numerical simulations rely on the method of characteristics. Comparison of rapid pressure transient calculations by the method of characteristics and a selected high resolution finite volume method highlights issues related to modelling of pressure waves and illustrates that matches between numerical simulations and physics are purely coincidental.

A numerical model for self-compacting concrete flow through reinforced sections. A porous medium analogy

International Nuclear Information System (INIS)

Vasilic, Ksenija

2016-01-01

This thesis addresses numerical simulations of self-compacting concrete (SCC) castings and suggests a novel modelling approach that treats reinforcement zones in a formwork as porous media. As a relatively new field in concrete technology, numerical simulations of fresh concrete flow can be a promising aid to optimise casting processes and to avoid on-site casting incidents by predicting the flow behaviour of concrete during the casting process. The simulations of fresh concrete flow generally involve complex mathematical modelling and time-consuming computations. In case of a casting prediction, the simulation time is additionally significantly increased because each reinforcement bar occurring in succession has to be considered one by one. This is particularly problematic when simulating SCC casting, since this type of concrete is typically used for heavily reinforced structural members. However, the wide use of numerical tools for casting prediction in practice is possible only if the tools are user-friendly and simulations are time-saving. In order to shorten simulation time and to come closer to a practical tool for casting prediction, instead to model steel bars one by one, this thesis suggests to model zones with arrays of steel bars as porous media. Consequently, one models the flow of SCC through a reinforcement zone as a free-surface flow of a non-Newtonian fluid, propagating through the medium. By defining characteristic parameters of the porous medium, the influence on the flow and the changed (apparent) behaviour of concrete in the porous matrix can be predicted. This enables modelling of any reinforcement network as a porous zone and thus significantly simplifies and fastens simulations of reinforced components' castings. Within the thesis, a computational model for SCC flow through reinforced sections was developed. This model couples a fluid dynamics model for fresh concrete and the macroscopic approach for the influence of the porous medium

A numerical model for self-compacting concrete flow through reinforced sections. A porous medium analogy

Energy Technology Data Exchange (ETDEWEB)

Vasilic, Ksenija

2016-05-01

This thesis addresses numerical simulations of self-compacting concrete (SCC) castings and suggests a novel modelling approach that treats reinforcement zones in a formwork as porous media. As a relatively new field in concrete technology, numerical simulations of fresh concrete flow can be a promising aid to optimise casting processes and to avoid on-site casting incidents by predicting the flow behaviour of concrete during the casting process. The simulations of fresh concrete flow generally involve complex mathematical modelling and time-consuming computations. In case of a casting prediction, the simulation time is additionally significantly increased because each reinforcement bar occurring in succession has to be considered one by one. This is particularly problematic when simulating SCC casting, since this type of concrete is typically used for heavily reinforced structural members. However, the wide use of numerical tools for casting prediction in practice is possible only if the tools are user-friendly and simulations are time-saving. In order to shorten simulation time and to come closer to a practical tool for casting prediction, instead to model steel bars one by one, this thesis suggests to model zones with arrays of steel bars as porous media. Consequently, one models the flow of SCC through a reinforcement zone as a free-surface flow of a non-Newtonian fluid, propagating through the medium. By defining characteristic parameters of the porous medium, the influence on the flow and the changed (apparent) behaviour of concrete in the porous matrix can be predicted. This enables modelling of any reinforcement network as a porous zone and thus significantly simplifies and fastens simulations of reinforced components' castings. Within the thesis, a computational model for SCC flow through reinforced sections was developed. This model couples a fluid dynamics model for fresh concrete and the macroscopic approach for the influence of the porous medium

A syncopated leap-frog algorithm for orbit consistent plasma simulation of materials processing reactors

International Nuclear Information System (INIS)

Cobb, J.W.; Leboeuf, J.N.

1994-01-01

The authors present a particle algorithm to extend simulation capabilities for plasma based materials processing reactors. The orbit integrator uses a syncopated leap-frog algorithm in cylindrical coordinates, which maintains second order accuracy, and minimizes computational complexity. Plasma source terms are accumulated orbit consistently directly in the frequency and azimuthal mode domains. Finally they discuss the numerical analysis of this algorithm. Orbit consistency greatly reduces the computational cost for a given level of precision. The computational cost is independent of the degree of time scale separation

Application of numerical environment system to regional atmospheric radioactivity transport simulations

International Nuclear Information System (INIS)

Yamazawa, H.; Ohkura, T.; Iida, T.; Chino, M.; Nagai, H.

2003-01-01

Main functions of the Numerical Environment System (NES), as a part of the Information Technology Based Laboratory (ITBL) project implemented by Japan Atomic Energy Research Institute, became available for test use purposes although the development of the system is still underway. This system consists of numerical models of meteorology and atmospheric dispersion, database necessary for model simulations, post- and pre-processors such as data conversion and visualization, and a suite of system software which provide the users with system functions through a web page access. The system utilizes calculation servers such as vector- and scalar-parallel processors for numerical model execution, a EWS which serves as a hub of the system. This system provides users in the field of nuclear emergency preparedness and atmospheric environment with easy-to-use functions of atmospheric dispersion simulations including input meteorological data preparation and visualization of simulation results. The performance of numerical models in the system was examined with observation data of long-range transported radon-222. The models in the system reproduced quite well temporal variations in the observed radon-222 concentrations in air which were caused by changes in the meteorological field in the synoptic scale. By applying the NES models in combination with the idea of backward-in-time atmospheric dispersion simulation, seasonal shift of source areas of radon-222 in the eastern Asian regions affecting the concentrations in Japan was quantitatively illustrated. (authors)

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)

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....

Numerical simulation of Higgs models

International Nuclear Information System (INIS)

Jaster, A.

1995-10-01

The SU(2) Higgs and the Schwinger model on the lattice were analysed. Numerical simulations of the SU(2) Higgs model were performed to study the finite temperature electroweak phase transition. With the help of the multicanonical method the distribution of an order parameter at the phase transition point was measured. This was used to obtain the order of the phase transition and the value of the interface tension with the histogram method. Numerical simulations were also performed at zero temperature to perform renormalization. The measured values for the Wilson loops were used to determine the static potential and from this the renormalized gauge coupling. The Schwinger model was simulated at different gauge couplings to analyse the properties of the Kaplan-Shamir fermions. The prediction that the mass parameter gets only multiplicative renormalization was tested and verified. (orig.)

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.

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.

A consistent modelling methodology for secondary settling tanks: a reliable numerical method.

Science.gov (United States)

Bürger, Raimund; Diehl, Stefan; Farås, Sebastian; Nopens, Ingmar; Torfs, Elena

2013-01-01

The consistent modelling methodology for secondary settling tanks (SSTs) leads to a partial differential equation (PDE) of nonlinear convection-diffusion type as a one-dimensional model for the solids concentration as a function of depth and time. This PDE includes a flux that depends discontinuously on spatial position modelling hindered settling and bulk flows, a singular source term describing the feed mechanism, a degenerating term accounting for sediment compressibility, and a dispersion term for turbulence. In addition, the solution itself is discontinuous. A consistent, reliable and robust numerical method that properly handles these difficulties is presented. Many constitutive relations for hindered settling, compression and dispersion can be used within the model, allowing the user to switch on and off effects of interest depending on the modelling goal as well as investigate the suitability of certain constitutive expressions. Simulations show the effect of the dispersion term on effluent suspended solids and total sludge mass in the SST. The focus is on correct implementation whereas calibration and validation are not pursued.

Recommended ALIs and DACs for 10 CFR part 220: A consistent numerical set

Energy Technology Data Exchange (ETDEWEB)

Eckerman, K.F.

1996-05-01

Appendix B to 10 CFR Part 20 contains numerical data for controlling the intake of radionuclides in the workplace or in the environment. These data, derived from the recommendations of the International Commission on Radiological Protection (ICRP), do not provide a numerically consistent basis for demonstrating compliance with the limitation on dose stated in the regulation. This situation is largely a consequence of the numerical procedures used by the ICRP which did not maintain, in a strict numerical sense, the hierarchial relationship among the radiation protection quantities. In this work recommended values of the quantities in Appendix B to CFR Part 20 are developed using the dose coefficients of the applicable ICRP publications and a numerical procedure which ensures that the tabulated quantities are numerically consistent.

NUMERICAL SIMULATION AND EXPERIMENTAL STUDY OF DRAGREDUCING SURFACE OF A REAL SHARK SKIN*

Institute of Scientific and Technical Information of China (English)

ZHANG De-yuan; LUO Yue-hao; LI Xiang; CHEN Hua-wei

2011-01-01

It is well known that shark skin surface can effectively inhabit the occurrence of turbulence and reduce the wall friction,but in order to understand the mechanism of drag reduction, one has to solve the problem of the turbulent flow on grooved-scale surface, and in that respect, the direct numerical simulation is an important tool.In this article, based on the real biological shark skin,the model of real shark skin is built through high-accurate scanning and data processing.The turbulent flow on a real shark skin is comprehensively simulated, and based on the simulation, the drag reduction mechanism is discussed.In addition, in order to validate the drag-reducing effect of shark skin surface, actual experiments were carried out in water tunnel, and the experimental results are approximately consistent with the numerical simulation.

Advanced Models and Algorithms for Self-Similar IP Network Traffic Simulation and Performance Analysis

Science.gov (United States)

Radev, Dimitar; Lokshina, Izabella

2010-11-01

The paper examines self-similar (or fractal) properties of real communication network traffic data over a wide range of time scales. These self-similar properties are very different from the properties of traditional models based on Poisson and Markov-modulated Poisson processes. Advanced fractal models of sequentional generators and fixed-length sequence generators, and efficient algorithms that are used to simulate self-similar behavior of IP network traffic data are developed and applied. Numerical examples are provided; and simulation results are obtained and analyzed.

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

Numerical simulation system for environmental studies: SPEEDI-MP

International Nuclear Information System (INIS)

Nagai, Haruyasu; Chino, Masamichi; Terada, Hiroaki; Harayama, Takaya; Kobayashi, Takuya; Tsuduki, Katsunori; Kim, Keyong-Ok; Furuno, Akiko

2006-09-01

A numerical simulation system SPEEDI-MP has been developed to apply for various environmental studies. SPEEDI-MP consists of dynamical models and material transport models for the atmospheric, terrestrial, and oceanic environments, meteorological and geographical database for model inputs, and system utilities for file management, visualization, analysis, etc., using graphical user interfaces (GUIs). As a numerical simulation tool, a model coupling program (model coupler) has been developed. It controls parallel calculations of several models and data exchanges among them to realize the dynamical coupling of the models. A coupled model system for water circulation has been constructed with atmosphere, ocean, wave, hydrology, and land-surface models using the model coupler. System utility GUIs are based on the Web technology, allowing users to manipulate all the functions on the system using their own PCs via the internet. In this system, the source estimation function in the atmospheric transport model can be executed on the grid computer system. Performance tests of the coupled model system for water circulation were also carried out for the flood event at Saudi Arabia in January 2005 and the storm surge case by the hurricane KATRINA in August 2005. (author)

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

DIPOLE COLLAPSE AND DYNAMO WAVES IN GLOBAL DIRECT NUMERICAL SIMULATIONS

Energy Technology Data Exchange (ETDEWEB)

Schrinner, Martin; Dormy, Emmanuel [MAG (ENS/IPGP), LRA, Ecole Normale Superieure, 24 Rue Lhomond, 75252 Paris Cedex 05 (France); Petitdemange, Ludovic, E-mail: martin@schrinner.eu [Previously at Max-Planck-Institut fuer Astronomie, Koenigstuhl 17, 69117 Heidelberg, Germany. (Germany)

2012-06-20

Magnetic fields of low-mass stars and planets are thought to originate from self-excited dynamo action in their convective interiors. Observations reveal a variety of field topologies ranging from large-scale, axial dipoles to more structured magnetic fields. In this article, we investigate more than 70 three-dimensional, self-consistent dynamo models in the Boussinesq approximation obtained by direct numerical simulations. The control parameters, the aspect ratio, and the mechanical boundary conditions have been varied to build up this sample of models. Both strongly dipolar and multipolar models have been obtained. We show that these dynamo regimes in general can be distinguished by the ratio of a typical convective length scale to the Rossby radius. Models with a predominantly dipolar magnetic field were obtained, if the convective length scale is at least an order of magnitude larger than the Rossby radius. Moreover, we highlight the role of the strong shear associated with the geostrophic zonal flow for models with stress-free boundary conditions. In this case the above transition disappears and is replaced by a region of bistability for which dipolar and multipolar dynamos coexist. We interpret our results in terms of dynamo eigenmodes using the so-called test-field method. We can thus show that models in the dipolar regime are characterized by an isolated 'single mode'. Competing overtones become significant as the boundary to multipolar dynamos is approached. We discuss how these findings relate to previous models and to observations.

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)

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.

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...

Liking for Evaluators: Consistency and Self-Esteem Theories

Science.gov (United States)

Regan, Judith Weiner

1976-01-01

Consistency and self-esteem theories make contrasting predictions about the relationship between a person's self-evaluation and his liking for an evaluator. Laboratory experiments confirmed predictions about these theories. (Editor/RK)

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.

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.

Numerical simulation of plasma processes driven by transverse ion heating

Science.gov (United States)

Singh, Nagendra; Chan, C. B.

1993-01-01

The plasma processes driven by transverse ion heating in a diverging flux tube are investigated with numerical simulation. The heating is found to drive a host of plasma processes, in addition to the well-known phenomenon of ion conics. The downward electric field near the reverse shock generates a doublestreaming situation consisting of two upflowing ion populations with different average flow velocities. The electric field in the reverse shock region is modulated by the ion-ion instability driven by the multistreaming ions. The oscillating fields in this region have the possibility of heating electrons. These results from the simulations are compared with results from a previous study based on a hydrodynamical model. Effects of spatial resolutions provided by simulations on the evolution of the plasma are discussed.

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.

Properties of Turbulence in the Reconnection Exhaust: Numerical Simulations Compared with Observations

Energy Technology Data Exchange (ETDEWEB)

Pucci, F.; Olshevsky, V.; Lapenta, G. [Center for Mathematical Plasma Astrophysics, Department Wiskunde, KU Leuven, 200B Celestijnenlaan, Leuven, B-3001 (Belgium); Servidio, S.; Malara, F. [Dipartimento di Fisica, Università della Calabria, I-87036 Cosenza (Italy); Sorriso-Valvo, L. [Nanotec-CNR, U.O.S. di Cosenza, Via P. Bucci, Cubo 31C, Arcavacata di Rende, I-87036 (Italy); Matthaeus, W. H. [Department of Physics and Astronomy, University of Delaware, 217 Sharp Lab, Newark, DE 19716 (United States); Goldman, M. V.; Newman, D. L., E-mail: francesco.pucci@kuleuven.be [University of Colorado, Boulder, CO 80309 (United States)

2017-05-20

The properties of the turbulence that develops in the outflows of magnetic reconnection have been investigated using self-consistent plasma simulations, in three dimensions. As commonly observed in space plasmas, magnetic reconnection is characterized by the presence of turbulence. Here we provide a direct comparison of our simulations with reported observations of reconnection events in the magnetotail, investigating the properties of the electromagnetic field and the energy conversion mechanisms. In particular, simulations show the development of a turbulent cascade consistent with spacecraft observations, statistics of the dissipation mechanisms in the turbulent outflows similar to the ones observed in reconnection jets in the magnetotail, and that the properties of turbulence vary as a function of the distance from the reconnecting X-line.

Numerical simulations of counterstreaming plasmas and their relevance to interhemispheric flows

International Nuclear Information System (INIS)

Singh, N.; Schunk, R.W.

1983-01-01

The collisionless expansion of ccounterstreaming plasmas has been studied by solving the self-consistent set of Vlasov and Poisson equations in one dimension. The motivation for the study is to elucidate some of the basic physical processes which may occur during the initial refilling of depleted flux tubes after a magnetic storm. The simulation geometry consisted of two high-density H + -O + -electron plasmas (conjugate ionospheres) separated by a low density H + -electron plasma (equatorial plasmasphere). The temporal evolution of the expandinng plasmas and the electrostatic potential in the region between the two sources hass the following characteristics. The initially minor H + ions rapidly flow out of the source regions, creating counterstreaming density shock fronts which propagate at the Sagdeev Mach number for ion acoustic shocks (Mapprox.1.6). However, the shocks are preceded by suprathermal forerunner ions, which are the first to fill the ''equatorial'' region. When the counterstreaming ion acoustic shocks collide, the density in the equatorial region becomes nearly a constant, twice the value of the density in the individual shocks. The electrostatic potential distribution from the source plasmas to the midpoint of the expansion region displays an interesting feature. A potential hill forms near the midpoint after the arrival of the main density shock fronts. This localized potential hill plays an important role in the thermalization of the ion streams and may occur in the equatorial plasmasphere after magnetic storms. The numerical simulations indicate that the ion beams in the counterstreaming plasmas are remarkably stable with respect to the ion acoustic instability, which is in agreement with the linear instability theory

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)

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)

Direct numerical simulation of turbulent mixing in grid-generated turbulence

International Nuclear Information System (INIS)

Nagata, Kouji; Suzuki, Hiroki; Sakai, Yasuhiko; Kubo, Takashi; Hayase, Toshiyuki

2008-01-01

Turbulent mixing of passive scalar (heat) in grid-generated turbulence (GGT) is simulated by means of direct numerical simulation (DNS). A turbulence-generating grid, on which the velocity components are set to zero, is located downstream of the channel entrance, and it is numerically constructed on the staggered mesh arrangement using the immersed boundary method. The grid types constructed are: (a) square-mesh biplane grid, (b) square-mesh single-plane grid, (c) composite grid consisting of parallel square-bars and (d) fractal grid. Two fluids with different temperatures are provided separately in the upper and lower streams upstream of the turbulence-generating grids, generating the thermal mixing layer behind the grids. For the grid (a), simulations for two different Prandtl numbers of 0.71 and 7.1, corresponding to air and water flows, are conducted to investigate the effect of the Prandtl number. The results show that the typical grid turbulence and shearless mixing layer are generated downstream of the grids. The results of the scalar field show that a typical thermal mixing layer is generated as well, and the effects of the Prandtl numbers on turbulent heat transfer are observed.

Direct numerical simulation of turbulent mixing in grid-generated turbulence

Energy Technology Data Exchange (ETDEWEB)

Nagata, Kouji; Suzuki, Hiroki; Sakai, Yasuhiko; Kubo, Takashi [Department of Mechanical Science and Engineering, Nagoya University, Nagoya 464-8603 (Japan); Hayase, Toshiyuki [Institute of Fluid Science, Tohoku University, Sendai 980-8577 (Japan)], E-mail: nagata@nagoya-u.jp, E-mail: hsuzuki@nagoya-u.jp, E-mail: ysakai@mech.nagoya-u.ac.jp, E-mail: t-kubo@nagoya-u.jp, E-mail: hayase@ifs.tohoku.ac.jp

2008-12-15

Turbulent mixing of passive scalar (heat) in grid-generated turbulence (GGT) is simulated by means of direct numerical simulation (DNS). A turbulence-generating grid, on which the velocity components are set to zero, is located downstream of the channel entrance, and it is numerically constructed on the staggered mesh arrangement using the immersed boundary method. The grid types constructed are: (a) square-mesh biplane grid, (b) square-mesh single-plane grid, (c) composite grid consisting of parallel square-bars and (d) fractal grid. Two fluids with different temperatures are provided separately in the upper and lower streams upstream of the turbulence-generating grids, generating the thermal mixing layer behind the grids. For the grid (a), simulations for two different Prandtl numbers of 0.71 and 7.1, corresponding to air and water flows, are conducted to investigate the effect of the Prandtl number. The results show that the typical grid turbulence and shearless mixing layer are generated downstream of the grids. The results of the scalar field show that a typical thermal mixing layer is generated as well, and the effects of the Prandtl numbers on turbulent heat transfer are observed.

Consistent evolution in a pedestrian flow

Science.gov (United States)

Guan, Junbiao; Wang, Kaihua

2016-03-01

In this paper, pedestrian evacuation considering different human behaviors is studied by using a cellular automaton (CA) model combined with the snowdrift game theory. The evacuees are divided into two types, i.e. cooperators and defectors, and two different human behaviors, herding behavior and independent behavior, are investigated. It is found from a large amount of numerical simulations that the ratios of the corresponding evacuee clusters are evolved to consistent states despite 11 typically different initial conditions, which may largely owe to self-organization effect. Moreover, an appropriate proportion of initial defectors who are of herding behavior, coupled with an appropriate proportion of initial defectors who are of rationally independent thinking, are two necessary factors for short evacuation time.

From virtual clustering analysis to self-consistent clustering analysis: a mathematical study

Science.gov (United States)

Tang, Shaoqiang; Zhang, Lei; Liu, Wing Kam

2018-03-01

In this paper, we propose a new homogenization algorithm, virtual clustering analysis (VCA), as well as provide a mathematical framework for the recently proposed self-consistent clustering analysis (SCA) (Liu et al. in Comput Methods Appl Mech Eng 306:319-341, 2016). In the mathematical theory, we clarify the key assumptions and ideas of VCA and SCA, and derive the continuous and discrete Lippmann-Schwinger equations. Based on a key postulation of "once response similarly, always response similarly", clustering is performed in an offline stage by machine learning techniques (k-means and SOM), and facilitates substantial reduction of computational complexity in an online predictive stage. The clear mathematical setup allows for the first time a convergence study of clustering refinement in one space dimension. Convergence is proved rigorously, and found to be of second order from numerical investigations. Furthermore, we propose to suitably enlarge the domain in VCA, such that the boundary terms may be neglected in the Lippmann-Schwinger equation, by virtue of the Saint-Venant's principle. In contrast, they were not obtained in the original SCA paper, and we discover these terms may well be responsible for the numerical dependency on the choice of reference material property. Since VCA enhances the accuracy by overcoming the modeling error, and reduce the numerical cost by avoiding an outer loop iteration for attaining the material property consistency in SCA, its efficiency is expected even higher than the recently proposed SCA algorithm.

Simulation and modeling of the Gamble II self-pinched ion beam transport experiment

International Nuclear Information System (INIS)

Rose, D.V.; Ottinger, P.F.; Hinshelwood, D.D.

1999-01-01

Progress in numerical simulations and modeling of the self-pinched ion beam transport experiment at the Naval Research Laboratory (NRL) is reviewed. In the experiment, a 1.2-MeV, 100-kA proton beam enters a 1-m long, transport region filled with a low pressure gas (30--250 mTorr helium, or 1 Torr air). The time-dependent velocity distribution function of the injected ion beam is determined from an orbit code that uses a pinch-reflex ion diode model and the measured voltage and current from this diode on the Gamble II generator at NRL. This distribution function is used as the beam input condition for numerical simulations carried out using the hybrid particle-in-cell code IPROP. Results of the simulations will be described, and detailed comparisons will be made with various measurements, including line-integrated electron-density, proton-fluence, and beam radial-profile measurements. As observed in the experiment, the simulations show evidence of self-pinching for helium pressures between 35 and 80 mTorr. Simulations and measurements in 1 Torr air show ballistic transport. The relevance of these results to ion-driven inertial confinement fusion will be discussed

A self-consistent first-principle based approach to model carrier mobility in organic materials

International Nuclear Information System (INIS)

Meded, Velimir; Friederich, Pascal; Symalla, Franz; Neumann, Tobias; Danilov, Denis; Wenzel, Wolfgang

2015-01-01

Transport through thin organic amorphous films, utilized in OLEDs and OPVs, has been a challenge to model by using ab-initio methods. Charge carrier mobility depends strongly on the disorder strength and reorganization energy, both of which are significantly affected by the details in environment of each molecule. Here we present a multi-scale approach to describe carrier mobility in which the materials morphology is generated using DEPOSIT, a Monte Carlo based atomistic simulation approach, or, alternatively by molecular dynamics calculations performed with GROMACS. From this morphology we extract the material specific hopping rates, as well as the on-site energies using a fully self-consistent embedding approach to compute the electronic structure parameters, which are then used in an analytic expression for the carrier mobility. We apply this strategy to compute the carrier mobility for a set of widely studied molecules and obtain good agreement between experiment and theory varying over several orders of magnitude in the mobility without any freely adjustable parameters. The work focuses on the quantum mechanical step of the multi-scale workflow, explains the concept along with the recently published workflow optimization, which combines density functional with semi-empirical tight binding approaches. This is followed by discussion on the analytic formula and its agreement with established percolation fits as well as kinetic Monte Carlo numerical approaches. Finally, we skatch an unified multi-disciplinary approach that integrates materials science simulation and high performance computing, developed within EU project MMM@HPC

The pressure equation arising in reservoir simulation. Mathematical properties, numerical methods and upscaling

Energy Technology Data Exchange (ETDEWEB)

Nielsen, Bjoern Fredrik

1997-12-31

The main purpose of this thesis has been to analyse self-adjoint second order elliptic partial differential equations arising in reservoir simulation. It studies several mathematical and numerical problems for the pressure equation arising in models of fluid flow in porous media. The theoretical results obtained have been illustrated by a series of numerical experiments. The influence of large variations in the mobility tensor upon the solution of the pressure equation is analysed. The performance of numerical methods applied to such problems have been studied. A new upscaling technique for one-phase flow in heterogeneous reservoirs is developed. The stability of the solution of the pressure equation with respect to small perturbations of the mobility tensor is studied. The results are used to develop a new numerical method for a model of fully nonlinear water waves. 158 refs, 39 figs., 12 tabs.

The pressure equation arising in reservoir simulation. Mathematical properties, numerical methods and upscaling

Energy Technology Data Exchange (ETDEWEB)

Nielsen, Bjoern Fredrik

1998-12-31

The main purpose of this thesis has been to analyse self-adjoint second order elliptic partial differential equations arising in reservoir simulation. It studies several mathematical and numerical problems for the pressure equation arising in models of fluid flow in porous media. The theoretical results obtained have been illustrated by a series of numerical experiments. The influence of large variations in the mobility tensor upon the solution of the pressure equation is analysed. The performance of numerical methods applied to such problems have been studied. A new upscaling technique for one-phase flow in heterogeneous reservoirs is developed. The stability of the solution of the pressure equation with respect to small perturbations of the mobility tensor is studied. The results are used to develop a new numerical method for a model of fully nonlinear water waves. 158 refs, 39 figs., 12 tabs.

Practical considerations in developing numerical simulators for thermal recovery

Energy Technology Data Exchange (ETDEWEB)

Abou-Kassem, J.H. [Chemical and Petroleum Engineering Department, UAE University, Al-Ain (United Arab Emirates)

1996-08-15

Numerical simulation of steam injection and in-situ combustion-based oil recovery processes is of great importance in project design. Development of such numerical simulators is an on-going process, with improvements made as the process description becomes more complete, and also as better methods are devised to resolve certain numerical difficulties. This paper addresses some of the latter, and based on the author`s experience gives useful guidelines for developing more efficient numerical simulators of steam injection and in-situ combustion. The paper takes up a series of questions related to simulating thermal processes. Included are: the elimination of constraint equations at the matrix level, phase change, steam injection rate, alternative treatments of heat loss, relative permeabilities and importance of hysteresis effects, improved solutions to the grid orientation problem and other simulation problems such as potential inversion, grid block size, time-step size control and induced fractures. The points discussed in the paper should be of use to both simulator developers and users alike, and will lead to a better understanding of simulation results

Numerical simulation of pore pressure changes in levee under flood conditions

Science.gov (United States)

Stanisz, Jacek; Borecka, Aleksandra; Pilecki, Zenon; Kaczmarczyk, Robert

2017-11-01

The article discusses the potential for using numerical simulation to assess the development of deformation and pore pressure changes in a levee as a result of the increase and decrease of the flood wave. The simulation made in FLAC 2D did not take into account the filter-erosion deformation associated with seepage in the levee. The simulations were carried out for a field experimental storage consisting of two combined levees, which was constructed with the help of homogeneous cohesive materials with different filtration coefficients. Calculated and measured pore pressure changes were analysed at 4 monitoring points. The water level was increased to 4 m in 96 hours and decreased in 120 hours. The characteristics of the calculated and measured pore pressure changes over time were similar. The maximum values of the calculated and measured pore pressure were almost identical. The only differences were the greater delay of the experimental levee response to changes in water level increase compared to the response of the numerical model. These differences were probably related to filtering-erosion effects during seepage in the levee.

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.

Modeling of the 3RS tau protein with self-consistent field method and Monte Carlo simulation

NARCIS (Netherlands)

Leermakers, F.A.M.; Jho, Y.S.; Zhulina, E.B.

2010-01-01

Using a model with amino acid resolution of the 196 aa N-terminus of the 3RS tau protein, we performed both a Monte Carlo study and a complementary self-consistent field (SCF) analysis to obtain detailed information on conformational properties of these moieties near a charged plane (mimicking the

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.)

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.

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.)

Numerical simulations of time-resolved quantum electronics

International Nuclear Information System (INIS)

Gaury, Benoit; Weston, Joseph; Santin, Matthieu; Houzet, Manuel; Groth, Christoph; Waintal, Xavier

2014-01-01

Numerical simulation has become a major tool in quantum electronics both for fundamental and applied purposes. While for a long time those simulations focused on stationary properties (e.g. DC currents), the recent experimental trend toward GHz frequencies and beyond has triggered a new interest for handling time-dependent perturbations. As the experimental frequencies get higher, it becomes possible to conceive experiments which are both time-resolved and fast enough to probe the internal quantum dynamics of the system. This paper discusses the technical aspects–mathematical and numerical–associated with the numerical simulations of such a setup in the time domain (i.e. beyond the single-frequency AC limit). After a short review of the state of the art, we develop a theoretical framework for the calculation of time-resolved observables in a general multiterminal system subject to an arbitrary time-dependent perturbation (oscillating electrostatic gates, voltage pulses, time-varying magnetic fields, etc.) The approach is mathematically equivalent to (i) the time-dependent scattering formalism, (ii) the time-resolved non-equilibrium Green’s function (NEGF) formalism and (iii) the partition-free approach. The central object of our theory is a wave function that obeys a simple Schrödinger equation with an additional source term that accounts for the electrons injected from the electrodes. The time-resolved observables (current, density, etc.) and the (inelastic) scattering matrix are simply expressed in terms of this wave function. We use our approach to develop a numerical technique for simulating time-resolved quantum transport. We find that the use of this wave function is advantageous for numerical simulations resulting in a speed up of many orders of magnitude with respect to the direct integration of NEGF equations. Our technique allows one to simulate realistic situations beyond simple models, a subject that was until now beyond the simulation

Numerical simulation of laser resonators

International Nuclear Information System (INIS)

Yoo, J. G.; Jeong, Y. U.; Lee, B. C.; Rhee, Y. J.; Cho, S. O.

2004-01-01

We developed numerical simulation packages for laser resonators on the bases of a pair of integral equations. Two numerical schemes, a matrix formalism and an iterative method, were programmed for finding numeric solutions to the pair of integral equations. The iterative method was tried by Fox and Li, but it was not applicable for high Fresnel numbers since the numerical errors involved propagate and accumulate uncontrollably. In this paper, we implement the matrix method to extend the computational limit further. A great number of case studies are carried out with various configurations of stable and unstable r;esonators to compute diffraction losses, phase shifts, intensity distributions and phases of the radiation fields on mirrors. Our results presented in this paper show not only a good agreement with the results previously obtained by Fox and Li, but also the legitimacy of our numerical procedures for high Fresnel numbers.

Numerical simulation of magnetic heat pumps

International Nuclear Information System (INIS)

Smaili, A.; Masson, C.

2002-01-01

This article presents a numerical method for performance predictions of magnetic heat pump (MHP) devices. Such devices consist primarily of a magnetic regenerator (solid refrigerant media) and circulating fluid. Unlike conventional gas-cycles, MHP devices function according to thermomagnetic cycles which do not require neither compressor nor expander. In this paper, the flow field throughout the regenerator is described by continuity and unsteady incompressible Navier-Stokes equations. The heat transfer between fluid and solid is introduced by considering the corresponding energy equations. The proposed mathematical model has been solved using a control volume finite element method. The fully implicit scheme is used for time discretization. Simulation results including heating capacity and coefficient of performance are presented for a given MHP cycle. Mainly, the effects of cycle frequency, mass flow rate and the magnetic regenerator mass are investigated. (author)

Graphical user interface based computer simulation of self-similar modes of a paraxial slow self-focusing laser beam for saturating plasma nonlinearities

International Nuclear Information System (INIS)

Batra, Karuna; Mitra, Sugata; Subbarao, D.; Sharma, R.P.; Uma, R.

2005-01-01

The task for the present study is to make an investigation of self-similarity in a self-focusing laser beam both theoretically and numerically using graphical user interface based interactive computer simulation model in MATLAB (matrix laboratory) software in the presence of saturating ponderomotive force based and relativistic electron quiver based plasma nonlinearities. The corresponding eigenvalue problem is solved analytically using the standard eikonal formalism and the underlying dynamics of self-focusing is dictated by the corrected paraxial theory for slow self-focusing. The results are also compared with computer simulation of self-focusing by the direct fast Fourier transform based spectral methods. It is found that the self-similar solution obtained analytically oscillates around the true numerical solution equating it at regular intervals. The simulation results are the main ones although a feasible semianalytical theory under many assumptions is given to understand the process. The self-similar profiles are called as self-organized profiles (not in a strict sense), which are found to be close to Laguerre-Gaussian curves for all the modes, the shape being conserved. This terminology is chosen because it has already been shown from a phase space analysis that the width of an initially Gaussian beam undergoes periodic oscillations that are damped when any absorption is added in the model, i.e., the beam width converges to a constant value. The research paper also tabulates the specific values of the normalized phase shift for solutions decaying to zero at large transverse distances for first three modes which can, however, be extended to higher order modes

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.

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)

Direct numerical simulation of the Rayleigh-Taylor instability with the spectral element method

International Nuclear Information System (INIS)

Zhang Xu; Tan Duowang

2009-01-01

A novel method is proposed to simulate Rayleigh-Taylor instabilities using a specially-developed unsteady three-dimensional high-order spectral element method code. The numerical model used consists of Navier-Stokes equations and a transport-diffusive equation. The code is first validated with the results of linear stability perturbation theory. Then several characteristics of the Rayleigh-Taylor instabilities are studied using this three-dimensional unsteady code, including instantaneous turbulent structures and statistical turbulent mixing heights under different initial wave numbers. These results indicate that turbulent structures of Rayleigh-Taylor instabilities are strongly dependent on the initial conditions. The results also suggest that a high-order numerical method should provide the capability of simulating small scale fluctuations of Rayleigh-Taylor instabilities of turbulent flows. (authors)

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)

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.

Numerical simulations of plasma equilibrium in a one-dimensional current sheet with a nonzero normal magnetic field component

International Nuclear Information System (INIS)

Mingalev, O. V.; Mingalev, I. V.; Malova, Kh. V.; Zelenyi, L. M.

2007-01-01

The force balance in a thin collisionless current sheet in the Earth's magnetotail with a given constant magnetic field component B z across the sheet is numerically studied for the first time in a self-consistent formulation of the problem. The current sheet is produced by oppositely directed plasma flows propagating from the periphery of the sheet toward the neutral plane. A substantially improved version of a macroparticle numerical model is used that makes it possible to simulate on the order of 10 7 macroparticles even with a personal computer and to calculate equilibrium configurations with a sufficiently low discrete noise level in the first-and second-order moments of the distribution function, which determine the stress tensor elements. Quasisteady configurations were calculated numerically for several sets of plasma parameters in some parts of the magnetotail. The force balance in the sheet was checked by calculating the longitudinal and transverse pressures as well as the elements of the full stress tensor. The stress tensor in the current sheet is found to be nondiagonal and to differ appreciably from the gyrotropic stress tensor in the Chew-Goldberger-Low model, although the Chew-Goldberger-Low theory and numerical calculations yield close results for large distances from the region of reversed magnetic field

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.

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.)

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.

Pearl-necklace structures in core-shell molecular brushes: Experiments, Monte Carlo simulations and self-consistent field modeling

NARCIS (Netherlands)

Polotsky, A.; Charlaganov, M.; Xu, Y.P.; Leermakers, F.A.M.; Daoud, M.; Muller, A.H.E.; Dotera, T.; Borisov, O.V.

2008-01-01

We present theoretical arguments and experimental evidence for a longitudinal instability in core-shell cylindrical polymer brushes with a solvophobic inner (core) block and a solvophilic outer (shell) block in selective solvents. The two-gradient self-consistent field Scheutjens-Fleer (SCF-SF)

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)

Molecular dynamics simulation of self-diffusion coefficients for liquid metals

International Nuclear Information System (INIS)

Ju Yuan-Yuan; Zhang Qing-Ming; Gong Zi-Zheng; Ji Guang-Fu

2013-01-01

The temperature-dependent coefficients of self-diffusion for liquid metals are simulated by molecular dynamics methods based on the embedded-atom-method (EAM) potential function. The simulated results show that a good inverse linear relation exists between the natural logarithm of self-diffusion coefficients and temperature, though the results in the literature vary somewhat, due to the employment of different potential functions. The estimated activation energy of liquid metals obtained by fitting the Arrhenius formula is close to the experimental data. The temperature-dependent shear-viscosities obtained from the Stokes—Einstein relation in conjunction with the results of molecular dynamics simulation are generally consistent with other values in the literature. (atomic and molecular physics)

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

3D Simulation of Self-Compacting Concrete Flow Based on MRT-LBM

Directory of Open Access Journals (Sweden)

Liu-Chao Qiu

2018-01-01

Full Text Available A three-dimensional multiple-relaxation-time lattice Boltzmann method (MRT-LBM with a D3Q27 discrete velocity model is applied for simulation of self-compacting concrete (SCC flows. In the present study, the SCC is assumed as a non-Newtonian fluid, and a modified Herschel–Bulkley model is used as constitutive mode. The mass tracking algorithm was used for modeling the liquid-gas interface. Two numerical examples of the slump test and enhanced L-box test were performed, and the calculated results are compared with available experiments in literatures. The numerical results demonstrate the capability of the proposed MRT-LBM in modeling of self-compacting concrete flows.

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.)

Computing the sensitivity of drag and lift in flow past a circular cylinder: Time-stepping versus self-consistent analysis

Science.gov (United States)

Meliga, Philippe

2017-07-01

We provide in-depth scrutiny of two methods making use of adjoint-based gradients to compute the sensitivity of drag in the two-dimensional, periodic flow past a circular cylinder (Re≲189 ): first, the time-stepping analysis used in Meliga et al. [Phys. Fluids 26, 104101 (2014), 10.1063/1.4896941] that relies on classical Navier-Stokes modeling and determines the sensitivity to any generic control force from time-dependent adjoint equations marched backwards in time; and, second, a self-consistent approach building on the model of Mantič-Lugo et al. [Phys. Rev. Lett. 113, 084501 (2014), 10.1103/PhysRevLett.113.084501] to compute semilinear approximations of the sensitivity to the mean and fluctuating components of the force. Both approaches are applied to open-loop control by a small secondary cylinder and allow identifying the sensitive regions without knowledge of the controlled states. The theoretical predictions obtained by time-stepping analysis reproduce well the results obtained by direct numerical simulation of the two-cylinder system. So do the predictions obtained by self-consistent analysis, which corroborates the relevance of the approach as a guideline for efficient and systematic control design in the attempt to reduce drag, even though the Reynolds number is not close to the instability threshold and the oscillation amplitude is not small. This is because, unlike simpler approaches relying on linear stability analysis to predict the main features of the flow unsteadiness, the semilinear framework encompasses rigorously the effect of the control on the mean flow, as well as on the finite-amplitude fluctuation that feeds back nonlinearly onto the mean flow via the formation of Reynolds stresses. Such results are especially promising as the self-consistent approach determines the sensitivity from time-independent equations that can be solved iteratively, which makes it generally less computationally demanding. We ultimately discuss the extent to

Confidence in Numerical Simulations

Energy Technology Data Exchange (ETDEWEB)

Hemez, Francois M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-02-23

This PowerPoint presentation offers a high-level discussion of uncertainty, confidence and credibility in scientific Modeling and Simulation (M&S). It begins by briefly evoking M&S trends in computational physics and engineering. The first thrust of the discussion is to emphasize that the role of M&S in decision-making is either to support reasoning by similarity or to “forecast,” that is, make predictions about the future or extrapolate to settings or environments that cannot be tested experimentally. The second thrust is to explain that M&S-aided decision-making is an exercise in uncertainty management. The three broad classes of uncertainty in computational physics and engineering are variability and randomness, numerical uncertainty and model-form uncertainty. The last part of the discussion addresses how scientists “think.” This thought process parallels the scientific method where by a hypothesis is formulated, often accompanied by simplifying assumptions, then, physical experiments and numerical simulations are performed to confirm or reject the hypothesis. “Confidence” derives, not just from the levels of training and experience of analysts, but also from the rigor with which these assessments are performed, documented and peer-reviewed.

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.

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.

Numerical simulation of hypersonic flight experiment vehicle

OpenAIRE

Yamamoto, Yukimitsu; Yoshioka, Minako; 山本　行光; 吉岡　美菜子

1994-01-01

Hypersonic aerodynamic characteristics of Hypersonic FLight EXperiment (HYFLEX vehicle were investigated by numerical simulations using Navier-Stokes CFD (Computational Fluid Dynamics) code of NAL. Numerical results were compared with experimental data obtained at Hypersonic Wind Tunnel at NAL. In order to investigate real flight aerodynamic characteristics. numerical calculations corresponding to the flight conditions suffering from maximum aero thermodynamic heating were also made and the d...

Numerical simulation of mechatronic sensors and actuators

CERN Document Server

Kaltenbacher, Manfred

2007-01-01

Focuses on the physical modeling of mechatronic sensors and actuators and their precise numerical simulation using the Finite Element Method (FEM). This book discusses the physical modeling as well as numerical computation. It also gives a comprehensive introduction to finite elements, including their computer implementation.

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

Generalized algorithm for control of numerical dispersion in explicit time-domain electromagnetic simulations

Directory of Open Access Journals (Sweden)

Benjamin M. Cowan

2013-04-01

Full Text Available We describe a modification to the finite-difference time-domain algorithm for electromagnetics on a Cartesian grid which eliminates numerical dispersion error in vacuum for waves propagating along a grid axis. We provide details of the algorithm, which generalizes previous work by allowing 3D operation with a wide choice of aspect ratio, and give conditions to eliminate dispersive errors along one or more of the coordinate axes. We discuss the algorithm in the context of laser-plasma acceleration simulation, showing significant reduction—up to a factor of 280, at a plasma density of 10^{23}  m^{-3}—of the dispersion error of a linear laser pulse in a plasma channel. We then compare the new algorithm with the standard electromagnetic update for laser-plasma accelerator stage simulations, demonstrating that by controlling numerical dispersion, the new algorithm allows more accurate simulation than is otherwise obtained. We also show that the algorithm can be used to overcome the critical but difficult challenge of consistent initialization of a relativistic particle beam and its fields in an accelerator simulation.

Direct numerical simulation of axisymmetric laminar low-density jets

Science.gov (United States)

Gomez Lendinez, Daniel; Coenen, Wilfried; Sevilla, Alejandro

2017-11-01

The stability of submerged laminar axisymmetric low-density jets has been investigated experimentally (Kyle & Sreenivasan 1993, Hallberg & Strykowski 2006) and with linear analysis (Jendoubi & Strykowski 1994, Coenen & Sevilla 2012, Coenen et al. 2017). These jets become globally unstable when the Reynolds number is larger than a certain critical value which depends on the density ratio and on the velocity profile at the injector outlet. In this work, Direct Numerical Simulations using FreeFEM + + (Hecht 2012) with P1 elements for pressure and P2 for velocity and density are performed to complement the above mentioned studies. Density and velocity fields are analyzed at long time showing the unforced space-time evolution of nonlinear disturbances propagating along the jet. Using the Stuart-Landau model to fit the numerical results for the self-excited oscillations we have computed a neutral stability curve that shows good agreement with experiments and stability theory. Thanks to Spanish MINECO under projects DPI2014-59292-C3-1-P and DPI2015-71901-REDT for financial support.

Direct Numerical Simulation of the Rayleigh−Taylor Instability with the Spectral Element Method

International Nuclear Information System (INIS)

Xu, Zhang; Duo-Wang, Tan

2009-01-01

A novel method is proposed to simulate Rayleigh−Taylor instabilities using a specially-developed unsteady three-dimensional high-order spectral element method code. The numerical model used consists of Navier–Stokes equations and a transport-diffusive equation. The code is first validated with the results of linear stability perturbation theory. Then several characteristics of the Rayleigh−Taylor instabilities are studied using this three-dimensional unsteady code, including instantaneous turbulent structures and statistical turbulent mixing heights under different initial wave numbers. These results indicate that turbulent structures of Rayleigh–Taylor instabilities are strongly dependent on the initial conditions. The results also suggest that a high-order numerical method should provide the capability of simulating small scale fluctuations of Rayleigh−Taylor instabilities of turbulent flows. (fundamental areas of phenomenology (including applications))

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....

An example of numerical simulation in causal set dynamics

International Nuclear Information System (INIS)

Krugly, Alexey L; Tserkovnikov, Ivan A

2013-01-01

The model of a discrete pregeometry on a microscopic scale is an x-graph. This is a directed acyclic graph. An outdegree and an indegree of each vertex are not more than 2. The sets of vertices and edges of x-graph are particular cases of causal sets. The sequential growth of a graph is an addition of new vertices one by one. A simple stochastic algorithm of sequential growth of x-graph are considered. It is based on a random walk at the x-graph. The particles in this model must be self-organized repetitive structures. We introduce the method of search of such repetitive structures. It is based on a discrete Fourier transformation. An example of numerical simulation is introduced.

Numerical Coupling and Simulation of Point-Mass System with the Turbulent Fluid Flow

Science.gov (United States)

Gao, Zheng

A computational framework that combines the Eulerian description of the turbulence field with a Lagrangian point-mass ensemble is proposed in this dissertation. Depending on the Reynolds number, the turbulence field is simulated using Direct Numerical Simulation (DNS) or eddy viscosity model. In the meanwhile, the particle system, such as spring-mass system and cloud droplets, are modeled using the ordinary differential system, which is stiff and hence poses a challenge to the stability of the entire system. This computational framework is applied to the numerical study of parachute deceleration and cloud microphysics. These two distinct problems can be uniformly modeled with Partial Differential Equations (PDEs) and Ordinary Differential Equations (ODEs), and numerically solved in the same framework. For the parachute simulation, a novel porosity model is proposed to simulate the porous effects of the parachute canopy. This model is easy to implement with the projection method and is able to reproduce Darcy's law observed in the experiment. Moreover, the impacts of using different versions of k-epsilon turbulence model in the parachute simulation have been investigated and conclude that the standard and Re-Normalisation Group (RNG) model may overestimate the turbulence effects when Reynolds number is small while the Realizable model has a consistent performance with both large and small Reynolds number. For another application, cloud microphysics, the cloud entrainment-mixing problem is studied in the same numerical framework. Three sets of DNS are carried out with both decaying and forced turbulence. The numerical result suggests a new way parameterize the cloud mixing degree using the dynamical measures. The numerical experiments also verify the negative relationship between the droplets number concentration and the vorticity field. The results imply that the gravity has fewer impacts on the forced turbulence than the decaying turbulence. In summary, the

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

Evaluating best educational practices, student satisfaction, and self-confidence in simulation: A descriptive study.

Science.gov (United States)

Zapko, Karen A; Ferranto, Mary Lou Gemma; Blasiman, Rachael; Shelestak, Debra

2018-01-01

The National League for Nursing (NLN) has endorsed simulation as a necessary teaching approach to prepare students for the demanding role of professional nursing. Questions arise about the suitability of simulation experiences to educate students. Empirical support for the effect of simulation on patient outcomes is sparse. Most studies on simulation report only anecdotal results rather than data obtained using evaluative tools. The aim of this study was to examine student perception of best educational practices in simulation and to evaluate their satisfaction and self-confidence in simulation. This study was a descriptive study designed to explore students' perceptions of the simulation experience over a two-year period. Using the Jeffries framework, a Simulation Day was designed consisting of serial patient simulations using high and medium fidelity simulators and live patient actors. The setting for the study was a regional campus of a large Midwestern Research 2 university. The convenience sample consisted of 199 participants and included sophomore, junior, and senior nursing students enrolled in the baccalaureate nursing program. The Simulation Days consisted of serial patient simulations using high and medium fidelity simulators and live patient actors. Participants rotated through four scenarios that corresponded to their level in the nursing program. Data was collected in two consecutive years. Participants completed both the Educational Practices Questionnaire (Student Version) and the Student Satisfaction and Self-Confidence in Learning Scale. Results provide strong support for using serial simulation as a learning tool. Students were satisfied with the experience, felt confident in their performance, and felt the simulations were based on sound educational practices and were important for learning. Serial simulations and having students experience simulations more than once in consecutive years is a valuable method of clinical instruction. When

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)

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

Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics

DEFF Research Database (Denmark)

Miyagi, Haruhide; Madsen, Lars Bojer

2013-01-01

We present the time-dependent restricted-active-space self-consistent-field (TD-RASSCF) theory as a framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock (MCTDHF) theory by incorporating the restricted-active-space scheme...... well known in time-independent quantum chemistry. Optimization of the orbitals as well as the expansion coefficients at each time step makes it possible to construct the wave function accurately while using only a relatively small number of electronic configurations. In numerical calculations of high...

Numerical simulation of compact intracloud discharge and generated electromagnetic pulse

Science.gov (United States)

Babich, L. P.; Bochkov, E. I.; Kutsyk, I. M.

2015-06-01

Using the concept of the relativistic runaway electron avalanche, numerical simulation of compact intracloud discharge as a generator of powerful natural electromagnetic pulses (EMPs) in the HF-UHF range was conducted. We evaluated the numbers of electrons initiating the avalanche, with which the calculated EMP characteristics are consistent with measured ones. The discharge capable of generating EMPs produces runaway electrons in numbers close to those in the source of terrestrial γ-flashes (TGF) registered in the nearest space, which may be an argument for a joint EMP and TGF source.

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

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

On performing of interference technique based on self-adjusting Zernike filters (SA-AVT method) to investigate flows and validate 3D flow numerical simulations

Science.gov (United States)

Pavlov, Al. A.; Shevchenko, A. M.; Khotyanovsky, D. V.; Pavlov, A. A.; Shmakov, A. S.; Golubev, M. P.

2017-10-01

We present a method for and results of determination of the field of integral density in the structure of flow corresponding to the Mach interaction of shock waves at Mach number M = 3. The optical diagnostics of flow was performed using an interference technique based on self-adjusting Zernike filters (SA-AVT method). Numerical simulations were carried out using the CFS3D program package for solving the Euler and Navier-Stokes equations. Quantitative data on the distribution of integral density on the path of probing radiation in one direction of 3D flow transillumination in the region of Mach interaction of shock waves were obtained for the first time.

Numerical simulation of edge plasma in tokamak

International Nuclear Information System (INIS)

Chen Yiping; Qiu Lijian

1996-02-01

The transport process and transport property of plasma in edge layer of Tokamak are simulated by solving numerically two-dimensional and multi-fluid plasma transport equations using suitable simulation code. The simulation results can show plasma parameter distribution characteristics in the area of edge layer, especially the characteristics near the first wall and divertor target plate. The simulation results play an important role in the design of divertor and first wall of Tokamak. (2 figs)

Contribution of Isotopic Tools to the Numerical Simulation of the Mar del Plata Coastal Aquifer, Argentina

Energy Technology Data Exchange (ETDEWEB)

Bocanegra, E.; Martinez, D. E. [Instituto de Geologia de Costas y del Cuaternario, UNMDP (Argentina); Pool, M.; Carrera, J. [Instituto de Diagnostico Ambiental y Estudios del Agua, CSIC (Spain)

2013-07-15

Over-exploitation in the coastal aquifer in Mar del Plata, Argentina, led to a seawater intrusion process affecting groundwater by salinization. The aim of this paper is to show the contribution of isotopic techniques to generate the numerical flow and transport model of the Mar del Plata aquifer. On the basis of the hydrogeological conceptual model, a numerical model was constructed. It consists of a multilayer aquifer in the urban area with 2 layers separated by an aquitard and a monolayer aquifer in the rest of the basin. The isotopic difference recorded in groundwaters allow the identification of the origin of the recharge and the confirmation of the presence of the hydrogeological environments incorporated in the numerical model. Flow simulation reflects the evolution of piezometric heads. Chloride transport simulation represents the salinization process due to seawater intrusion and the subsequent backward movement of the interface due to the abandonment of salinized wells. The results of numerical simulation confirm the conceptual model and reproduce the impact of the adopted management strategies. (author)

Robustness of numerical TIG welding simulation of 3D structures in stainless steel 316L

International Nuclear Information System (INIS)

El-Ahmar, W.

2007-04-01

The numerical welding simulation is considered to be one of those mechanical problems that have the great level of nonlinearity and which requires a good knowledge in various scientific fields. The 'Robustness Analysis' is a suitable tool to control the quality and guarantee the reliability of numerical welding results. The robustness of a numerical simulation of welding is related to the sensitivity of the modelling assumptions on the input parameters. A simulation is known as robust if the result that it produces is not very sensitive to uncertainties of the input data. The term 'Robust' was coined in statistics by G.E.P. Box in 1953. Various definitions of greater or lesser mathematical rigor are possible for the term, but in general, referring to a statistical estimator, it means 'insensitive to small deviation from the idealized assumptions for which the estimator is optimized. In order to evaluate the robustness of numerical welding simulation, sensitivity analyses on thermomechanical models and parameters have been conducted. At the first step, we research a reference solution which gives the best agreement with the thermal and mechanical experimental results. The second step consists in determining through numerical simulations which parameters have the largest influence on residual stresses induced by the welding process. The residual stresses were predicted using finite element method performed with Code-Aster of EDF and SYSWELD of ESI-GROUP. An analysis of robustness can prove to be heavy and expensive making it an unjustifiable route. However, only with development such tool of analysis can predictive methods become a useful tool for industry. (author)

Numerical simulation of radial compressor stage

Science.gov (United States)

Syka, T.; Luňáček, O.

2013-04-01

Article describes numerical simulations of air flow in radial compressor stage in NUMECA CFD software. In simulations geometry variants with and without seals are used. During tasks evaluating was observed seals influence on flow field and performance parameters of compressor stage. Also is described CFDresults comparison with results from design software based on experimental measurements and monitoring of influence of seals construction on compressor stage efficiency.

Numerical simulation of radial compressor stage

OpenAIRE

Luňáček O.; Syka T.

2013-01-01

Article describes numerical simulations of air flow in radial compressor stage in NUMECA CFD software. In simulations geometry variants with and without seals are used. During tasks evaluating was observed seals influence on flow field and performance parameters of compressor stage. Also is described CFDresults comparison with results from design software based on experimental measurements and monitoring of influence of seals construction on compressor stage efficiency.

Advanced numerical simulation based on a non-local micromorphic model for metal forming processes

Directory of Open Access Journals (Sweden)

Diamantopoulou Evangelia

2016-01-01

Full Text Available An advanced numerical methodology is developed for metal forming simulation based on thermodynamically-consistent nonlocal constitutive equations accounting for various fully coupled mechanical phenomena under finite strain in the framework of micromorphic continua. The numerical implementation into ABAQUS/Explicit is made for 2D quadrangular elements thanks to the VUEL users’ subroutine. Simple examples with presence of a damaged area are made in order to show the ability of the proposed methodology to describe the independence of the solution from the space discretization.

The numerical simulation of heat transfer during a hybrid laser-MIG welding using equivalent heat source approach

Science.gov (United States)

Bendaoud, Issam; Matteï, Simone; Cicala, Eugen; Tomashchuk, Iryna; Andrzejewski, Henri; Sallamand, Pierre; Mathieu, Alexandre; Bouchaud, Fréderic

2014-03-01

The present study is dedicated to the numerical simulation of an industrial case of hybrid laser-MIG welding of high thickness duplex steel UR2507Cu with Y-shaped chamfer geometry. It consists in simulation of heat transfer phenomena using heat equivalent source approach and implementing in finite element software COMSOL Multiphysics. A numerical exploratory designs method is used to identify the heat sources parameters in order to obtain a minimal required difference between the numerical results and the experiment which are the shape of the welded zone and the temperature evolution in different locations. The obtained results were found in good correspondence with experiment, both for melted zone shape and thermal history.

Numerical simulation of "an American haboob"

OpenAIRE

Vukovic, A.; Vujadinovic, M.; Pejanovic, G.; Andric, J.; Kumjian, M. R.; Djurdjevic, V.; Dacic, M.; Prasad, A. K.; El-Askary, H. M.; Paris, B. C.; Petkovic, S.; Nickovic, S.; Sprigg, W. A.

2014-01-01

A dust storm of fearful proportions hit Phoenix in the early evening hours of 5 July 2011. This storm, an American haboob, was predicted hours in advance because numerical, land–atmosphere modeling, computing power and remote sensing of dust events have improved greatly over the past decade. High-resolution numerical models are required for accurate simulation of the small scales of the haboob process, with high velocity surface winds produced by strong convection and severe...

Confidence in Numerical Simulations

International Nuclear Information System (INIS)

Hemez, Francois M.

2015-01-01

This PowerPoint presentation offers a high-level discussion of uncertainty, confidence and credibility in scientific Modeling and Simulation (M&S). It begins by briefly evoking M&S trends in computational physics and engineering. The first thrust of the discussion is to emphasize that the role of M&S in decision-making is either to support reasoning by similarity or to ''forecast,'' that is, make predictions about the future or extrapolate to settings or environments that cannot be tested experimentally. The second thrust is to explain that M&S-aided decision-making is an exercise in uncertainty management. The three broad classes of uncertainty in computational physics and engineering are variability and randomness, numerical uncertainty and model-form uncertainty. The last part of the discussion addresses how scientists ''think.'' This thought process parallels the scientific method where by a hypothesis is formulated, often accompanied by simplifying assumptions, then, physical experiments and numerical simulations are performed to confirm or reject the hypothesis. ''Confidence'' derives, not just from the levels of training and experience of analysts, but also from the rigor with which these assessments are performed, documented and peer-reviewed.

Direct Numerical Simulations of Rayleigh-Taylor instability

International Nuclear Information System (INIS)

Livescu, D; Wei, T; Petersen, M R

2011-01-01

The development of the Rayleigh-Taylor mixing layer is studied using data from an extensive new set of Direct Numerical Simulations (DNS), performed on the 0.5 Petaflops, 150k compute cores BG/L Dawn supercomputer at Lawrence Livermore National Laboratory. This includes a suite of simulations with grid size of 1024 2 × 4608 and Atwood number ranging from 0.04 to 0.9, in order to examine small departures from the Boussinesq approximation as well as large Atwood number effects, and a high resolution simulation of grid size 4096 2 × 4032 and Atwood number of 0.75. After the layer width had developed substantially, additional branched simulations have been run under reversed and zero gravity conditions. While the bulk of the results will be published elsewhere, here we present preliminary results on: 1) the long-standing open question regarding the discrepancy between the numerically and experimentally measured mixing layer growth rates and 2) mixing characteristics.

Coupled numerical simulation of fire in tunnel

Science.gov (United States)

Pesavento, F.; Pachera, M.; Schrefler, B. A.; Gawin, D.; Witek, A.

2018-01-01

In this work, a coupling strategy for the analysis of a tunnel under fire is presented. This strategy consists in a "one-way" coupling between a tool considering the computational fluid dynamics and radiation with a model treating concrete as a multiphase porous material exposed to high temperature. This global approach allows for taking into account in a realistic manner the behavior of the "system tunnel", composed of the fluid and the solid domain (i.e. the concrete structures), from the fire onset, its development and propagation to the response of the structure. The thermal loads as well as the moisture exchange between the structure surface and the environment are calculated by means of computational fluid dynamics. These set of data are passed in an automatic way to the numerical tool implementing a model based on Multiphase Porous Media Mechanics. Thanks to this strategy the structural verification is no longer based on the standard fire curves commonly used in the engineering practice, but it is directly related to a realistic fire scenario. To show the capability of this strategy some numerical simulations of a fire in the Brenner Base Tunnel, under construction between Italy and Austria, is presented. The numerical simulations show the effects of a more realistic distribution of the thermal loads with respect to the ones obtained by using the standard fire curves. Moreover, it is possible to highlight how the localized thermal load generates a non-uniform pressure rise in the material, which results in an increase of the structure stress state and of the spalling risk. Spalling is likely the most dangerous collapse mechanism for a concrete structure. This coupling approach still represents a "one way" strategy, i.e. realized without considering explicitly the mass and energy exchange from the structure to the fluid through the interface. This results in an approximation, but from physical point of view the current form of the solid-fluid coupling is

Numerical simulation of low pressure die-casting aluminum wheel

Directory of Open Access Journals (Sweden)

Mi Guofa

2009-02-01

Full Text Available The FDM numerical simulation software, ViewCast system, was employed to simulate the low pressure die casting (LPDC of an aluminum wheel. By analyzing the mold-fi lling and solidifi cation stage of the LPDC process, the distribution of liquid fraction, temperature field and solidification pattern of castings were studied. The potential shrinkage defects were predicted to be formed at the rim/spoke junctions, which is in consistence with the X-ray detection result. The distribution pattern of the defects has also been studied. A solution towards reducing such defects has been presented. The cooling capacity of the mold was improved by installing water pipes both in the side mold and the top mold. Analysis on the shrinkage defects under forced cooling mode proved that adding the cooling system in the mold is an effective method for reduction of shrinkage defects.

Numerical simulation of heat transfer in metal foams

Science.gov (United States)

Gangapatnam, Priyatham; Kurian, Renju; Venkateshan, S. P.

2018-02-01

This paper reports a numerical study of forced convection heat transfer in high porosity aluminum foams. Numerical modeling is done considering both local thermal equilibrium and non local thermal equilibrium conditions in ANSYS-Fluent. The results of the numerical model were validated with experimental results, where air was forced through aluminum foams in a vertical duct at different heat fluxes and velocities. It is observed that while the LTE model highly under predicts the heat transfer in these foams, LTNE model predicts the Nusselt number accurately. The novelty of this study is that once hydrodynamic experiments are conducted the permeability and porosity values obtained experimentally can be used to numerically simulate heat transfer in metal foams. The simulation of heat transfer in foams is further extended to find the effect of foam thickness on heat transfer in metal foams. The numerical results indicate that though larger foam thicknesses resulted in higher heat transfer coefficient, this effect weakens with thickness and is negligible in thick foams.

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.

Numerical simulation of radial compressor stage

Directory of Open Access Journals (Sweden)

Luňáček O.

2013-04-01

Full Text Available Article describes numerical simulations of air flow in radial compressor stage in NUMECA CFD software. In simulations geometry variants with and without seals are used. During tasks evaluating was observed seals influence on flow field and performance parameters of compressor stage. Also is described CFDresults comparison with results from design software based on experimental measurements and monitoring of influence of seals construction on compressor stage efficiency.

Numerical Simulation Of Silicon-Ribbon Growth

Science.gov (United States)

Woda, Ben K.; Kuo, Chin-Po; Utku, Senol; Ray, Sujit Kumar

1987-01-01

Mathematical model includes nonlinear effects. In development simulates growth of silicon ribbon from melt. Takes account of entire temperature and stress history of ribbon. Numerical simulations performed with new model helps in search for temperature distribution, pulling speed, and other conditions favoring growth of wide, flat, relatively defect-free silicon ribbons for solar photovoltaic cells at economically attractive, high production rates. Also applicable to materials other than silicon.

A model selection support system for numerical simulations of nuclear thermal-hydraulics

International Nuclear Information System (INIS)

Gofuku, Akio; Shimizu, Kenji; Sugano, Keiji; Yoshikawa, Hidekazu; Wakabayashi, Jiro

1990-01-01

In order to execute efficiently a dynamic simulation of a large-scaled engineering system such as a nuclear power plant, it is necessary to develop intelligent simulation support system for all phases of the simulation. This study is concerned with the intelligent support for the program development phase and is engaged in the adequate model selection support method by applying AI (Artificial Intelligence) techniques to execute a simulation consistent with its purpose and conditions. A proto-type expert system to support the model selection for numerical simulations of nuclear thermal-hydraulics in the case of cold leg small break loss-of-coolant accident of PWR plant is now under development on a personal computer. The steps to support the selection of both fluid model and constitutive equations for the drift flux model have been developed. Several cases of model selection were carried out and reasonable model selection results were obtained. (author)

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%

Investigation of the thermo-mechanical behavior of neutron-irradiated Fe-Cr alloys by self-consistent plasticity theory

Energy Technology Data Exchange (ETDEWEB)

Xiao, Xiazi [State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); CAPT, HEDPS and IFSA Collaborative Innovation Center of MoE, BIC-ESAT, Peking University, Beijing 100871 (China); Terentyev, Dmitry [Structural Material Group, Institute of Nuclear Materials Science, SCK CEN, Mol (Belgium); Yu, Long [State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); Bakaev, A. [Structural Material Group, Institute of Nuclear Materials Science, SCK CEN, Mol (Belgium); Jin, Zhaohui [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Duan, Huiling, E-mail: hlduan@pku.edu.cn [State Key Laboratory for Turbulence and Complex System, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871 (China); CAPT, HEDPS and IFSA Collaborative Innovation Center of MoE, BIC-ESAT, Peking University, Beijing 100871 (China)

2016-08-15

The thermo-mechanical behavior of non-irradiated (at 223 K, 302 K and 573 K) and neutron irradiated (at 573 K) Fe-2.5Cr, Fe-5Cr and Fe-9Cr alloys is studied by a self-consistent plasticity theory, which consists of constitutive equations describing the contribution of radiation defects at grain level, and the elastic-viscoplastic self-consistent method to obtain polycrystalline behaviors. Attention is paid to two types of radiation-induced defects: interstitial dislocation loops and solute rich clusters, which are believed to be the main sources of hardening in Fe-Cr alloys at medium irradiation doses. Both the hardening mechanism and microstructural evolution are investigated by using available experimental data on microstructures, and implementing hardening rules derived from atomistic data. Good agreement with experimental data is achieved for both the yield stress and strain hardening of non-irradiated and irradiated Fe-Cr alloys by treating dislocation loops as strong thermally activated obstacles and solute rich clusters as weak shearable ones. - Highlights: • A self-consistent plasticity theory is proposed for irradiated Fe-Cr alloys. • Both the irradiation-induced hardening and plastic flow evolution are studied. • Dislocation loops and solute rich clusters are considered as the main defects. • Numerical results of the proposed model match with corresponding experimental data.

Developing a numerical simulation for fading in feldspar

International Nuclear Information System (INIS)

Larsen, A.; Greilich, S.; Jain, M.; Murray, A.S.

2009-01-01

Most models describing anomalous fading in feldspars are based on analytical solutions. As an alternative approach we present an entirely numerical model based on statistical sampling that simulates stepwise the charge creation/trapping and recombination in a given phosphor. We assume the number density of electrons and holes at any time to be equal, although the model is not bound to that assumption. The model is flexible enough to be used on any combination of geological and laboratory timescales and for any defined configuration of defects. Using this approach we observed reorganization of nearest-neighbor distances with time. The best agreement with experimental data is achieved if we assume the crystal to consist of small subvolumes (nanocrystals) only within which charge carriers are allowed to recombine.

Experiments and Numerical Simulations of Electrodynamic Tether

Science.gov (United States)

Iki, Kentaro; Kawamoto, Satomi; Takahashi, Ayaka; Ishimoto, Tomori; Yanagida, Atsushi; Toda, Susumu

As an effective means of suppressing space debris growth, the Aerospace Research and Development Directorate of the Japan Aerospace Exploration Agency (JAXA) has been investigating an active space debris removal system that employs highly efficient electrodynamic tether (EDT) technology for orbital transfer. This study investigates tether deployment dynamics by means of on-ground experiments and numerical simulations of an electrodynamic tether system. Some key parameters used in the numerical simulations, such as the elastic modulus and damping ratio of the tether, the spring constant of the coiling of the tether, and deployment friction, must be estimated, and various experiments are conducted to determine these values. As a result, the following values were obtained: The elastic modulus of the tether was 40 GPa, and the damping ratio of the tether was 0.02. The spring constant and the damping ratio of the tether coiling were 10-4 N/m and 0.025 respectively. The deployment friction was 0.038ν + 0.005 N. In numerical simulations using a multiple mass tether model, tethers with lengths of several kilometers are deployed and the attitude dynamics of satellites attached to the end of the tether and tether libration are calculated. As a result, the simulations confirmed successful deployment of the tether with a length of 500 m using the electrodynamic tether system.

Modeling and numerical simulation of multi-component flow in porous media

International Nuclear Information System (INIS)

Saad, B.

2011-01-01

This work deals with the modelization and numerical simulation of two phase multi-component flow in porous media. The study is divided into two parts. First we study and prove the mathematical existence in a weak sense of two degenerate parabolic systems modeling two phase (liquid and gas) two component (water and hydrogen) flow in porous media. In the first model, we assume that there is a local thermodynamic equilibrium between both phases of hydrogen by using the Henry's law. The second model consists of a relaxation of the previous model: the kinetic of the mass exchange between dissolved hydrogen and hydrogen in the gas phase is no longer instantaneous. The second part is devoted to the numerical analysis of those models. Firstly, we propose a numerical scheme to compare numerical solutions obtained with the first model and numerical solutions obtained with the second model where the characteristic time to recover the thermodynamic equilibrium goes to zero. Secondly, we present a finite volume scheme with a phase-by-phase upstream weighting scheme without simplified assumptions on the state law of gas densities. We also validate this scheme on a 2D test cases. (author)

Development of numerical models for Monte Carlo simulations of Th-Pb fuel assembly

Directory of Open Access Journals (Sweden)

Oettingen Mikołaj

2017-01-01

Full Text Available The thorium-uranium fuel cycle is a promising alternative against uranium-plutonium fuel cycle, but it demands many advanced research before starting its industrial application in commercial nuclear reactors. The paper presents the development of the thorium-lead (Th-Pb fuel assembly numerical models for the integral irradiation experiments. The Th-Pb assembly consists of a hexagonal array of ThO2 fuel rods and metallic Pb rods. The design of the assembly allows different combinations of rods for various types of irradiations and experimental measurements. The numerical model of the Th-Pb assembly was designed for the numerical simulations with the continuous energy Monte Carlo Burnup code (MCB implemented on the supercomputer Prometheus of the Academic Computer Centre Cyfronet AGH.

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

Direct Numerical Simulation of Driven Cavity Flows

NARCIS (Netherlands)

Verstappen, R.; Wissink, J.G.; Veldman, A.E.P.

Direct numerical simulations of 2D driven cavity flows have been performed. The simulations exhibit that the flow converges to a periodically oscillating state at Re=11,000, and reveal that the dynamics is chaotic at Re=22,000. The dimension of the attractor and the Kolmogorov entropy have been

Numerical simulation of hydrogen-assisted crack initiation in austenitic-ferritic duplex steels

International Nuclear Information System (INIS)

Mente, Tobias

2015-01-01

Duplex stainless steels have been used for a long time in the offshore industry, since they have higher strength than conventional austenitic stainless steels and they exhibit a better ductility as well as an improved corrosion resistance in harsh environments compared to ferritic stainless steels. However, despite these good properties the literature shows some failure cases of duplex stainless steels in which hydrogen plays a crucial role for the cause of the damage. Numerical simulations can give a significant contribution in clarifying the damage mechanisms. Because they help to interpret experimental results as well as help to transfer results from laboratory tests to component tests and vice versa. So far, most numerical simulations of hydrogen-assisted material damage in duplex stainless steels were performed at the macroscopic scale. However, duplex stainless steels consist of approximately equal portions of austenite and δ-ferrite. Both phases have different mechanical properties as well as hydrogen transport properties. Thus, the sensitivity for hydrogen-assisted damage is different in both phases, too. Therefore, the objective of this research was to develop a numerical model of a duplex stainless steel microstructure enabling simulation of hydrogen transport, mechanical stresses and strains as well as crack initiation and propagation in both phases. Additionally, modern X-ray diffraction experiments were used in order to evaluate the influence of hydrogen on the phase specific mechanical properties. For the numerical simulation of the hydrogen transport it was shown, that hydrogen diffusion strongly depends on the alignment of austenite and δ-ferrite in the duplex stainless steel microstructure. Also, it was proven that the hydrogen transport is mainly realized by the ferritic phase and hydrogen is trapped in the austenitic phase. The numerical analysis of phase specific mechanical stresses and strains revealed that if the duplex stainless steel is

Molecular dynamics simulation of self-diffusion processes in titanium in bulk material, on grain junctions and on surface.

Science.gov (United States)

Sushko, Gennady B; Verkhovtsev, Alexey V; Yakubovich, Alexander V; Schramm, Stefan; Solov'yov, Andrey V

2014-08-21

The process of self-diffusion of titanium atoms in a bulk material, on grain junctions and on surface is explored numerically in a broad temperature range by means of classical molecular dynamics simulation. The analysis is carried out for a nanoscale cylindrical sample consisting of three adjacent sectors and various junctions between nanocrystals. The calculated diffusion coefficient varies by several orders of magnitude for different regions of the sample. The calculated values of the bulk diffusion coefficient correspond reasonably well to the experimental data obtained for solid and molten states of titanium. Investigation of diffusion in the nanocrystalline titanium is of a significant importance because of its numerous technological applications. This paper aims to reduce the lack of data on diffusion in titanium and describe the processes occurring in bulk, at different interfaces and on surface of the crystalline titanium.

Numerical simulation of water quality in Yangtze Estuary

Directory of Open Access Journals (Sweden)

Xi Li

2009-12-01

Full Text Available In order to monitor water quality in the Yangtze Estuary, water samples were collected and field observation of current and velocity stratification was carried out using a shipboard acoustic Doppler current profiler (ADCP. Results of two representative variables, the temporal and spatial variation of new point source sewage discharge as manifested by chemical oxygen demand (COD and the initial water quality distribution as manifested by dissolved oxygen (DO, were obtained by application of the Environmental Fluid Dynamics Code (EFDC with solutions for hydrodynamics during tides. The numerical results were compared with field data, and the field data provided verification of numerical application: this numerical model is an effective tool for water quality simulation. For point source discharge, COD concentration was simulated with an initial value in the river of zero. The simulated increments and distribution of COD in the water show acceptable agreement with field data. The concentration of DO is much higher in the North Branch than in the South Branch due to consumption of oxygen in the South Branch resulting from discharge of sewage from Shanghai. The DO concentration is greater in the surface layer than in the bottom layer. The DO concentration is low in areas with a depth of less than 20 m, and high in areas between the 20-m and 30-m isobaths. It is concluded that the numerical model is valuable in simulation of water quality in the case of specific point source pollutant discharge. The EFDC model is also of satisfactory accuracy in water quality simulation of the Yangtze Estuary.

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.)

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.

Consistency of the Self-Schema in Depression.

Science.gov (United States)

Ross, Michael J.; Mueller, John H.

Depressed individuals may filter or distort environmental information in direct relationship to their self perceptions. To investigate the degree of uncertainty about oneself and others, as measured by consistent/inconsistent responses, 72 college students (32 depressed and 40 nondepressed) rated selected adjectives from the Derry and Kuiper…

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

Comparison of GPU-Based Numerous Particles Simulation and Experiment

International Nuclear Information System (INIS)

Park, Sang Wook; Jun, Chul Woong; Sohn, Jeong Hyun; Lee, Jae Wook

2014-01-01

The dynamic behavior of numerous grains interacting with each other can be easily observed. In this study, this dynamic behavior was analyzed based on the contact between numerous grains. The discrete element method was used for analyzing the dynamic behavior of each particle and the neighboring-cell algorithm was employed for detecting their contact. The Hertzian and tangential sliding friction contact models were used for calculating the contact force acting between the particles. A GPU-based parallel program was developed for conducting the computer simulation and calculating the numerous contacts. The dam break experiment was performed to verify the simulation results. The reliability of the program was verified by comparing the results of the simulation with those of the experiment

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)

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)

On the granular fingering instability: controlled triggering in laboratory experiments and numerical simulations

Science.gov (United States)

Vriend, Nathalie; Tsang, Jonny; Arran, Matthew; Jin, Binbin; Johnsen, Alexander

2017-11-01

When a mixture of small, smooth particles and larger, coarse particles is released on a rough inclined plane, the initial uniform front may break up in distinct fingers which elongate over time. This fingering instability is sensitive to the unique arrangement of individual particles and is driven by granular segregation (Pouliquen et al., 1997). Variability in initial conditions create significant limitations for consistent experimental and numerical validation of newly developed theoretical models (Baker et al., 2016) for finger formation. We present an experimental study using a novel tool that sets the initial fingering width of the instability. By changing this trigger width between experiments, we explore the response of the avalanche breakup to perturbations of different widths. Discrete particle simulations (using MercuryDPM, Thornton et al., 2012) are conducted under a similar setting, reproducing the variable finger width, allowing validation between experiments and numerical simulations. A good agreement between simulations and experiments is obtained, and ongoing theoretical work is briefly introduced. NMV acknowledges the Royal Society Dorothy Hodgkin Research Fellowship.

Multiphase flows of N immiscible incompressible fluids: A reduction-consistent and thermodynamically-consistent formulation and associated algorithm

Science.gov (United States)

Dong, S.

2018-05-01

We present a reduction-consistent and thermodynamically consistent formulation and an associated numerical algorithm for simulating the dynamics of an isothermal mixture consisting of N (N ⩾ 2) immiscible incompressible fluids with different physical properties (densities, viscosities, and pair-wise surface tensions). By reduction consistency we refer to the property that if only a set of M (1 ⩽ M ⩽ N - 1) fluids are present in the system then the N-phase governing equations and boundary conditions will exactly reduce to those for the corresponding M-phase system. By thermodynamic consistency we refer to the property that the formulation honors the thermodynamic principles. Our N-phase formulation is developed based on a more general method that allows for the systematic construction of reduction-consistent formulations, and the method suggests the existence of many possible forms of reduction-consistent and thermodynamically consistent N-phase formulations. Extensive numerical experiments have been presented for flow problems involving multiple fluid components and large density ratios and large viscosity ratios, and the simulation results are compared with the physical theories or the available physical solutions. The comparisons demonstrate that our method produces physically accurate results for this class of problems.

Role of elasticity forces in thermodynamics of intercalation compounds : Self-consistent mean-field theory and Monte Carlo simulations

NARCIS (Netherlands)

Kalikmanov, V.I.; De Leeuw, S.W.

2002-01-01

We propose a self-consistent mean-field lattice-gas theory of intercalation compounds based on effective interactions between interstitials in the presence of the host atoms. In addition to short-range screened Coulomb repulsions, usually discussed in the lattice gas models, the present theory takes

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

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.

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

Effects of numerical dissipation and unphysical excursions on scalar-mixing estimates in large-eddy simulations

Science.gov (United States)

Sharan, Nek; Matheou, Georgios; Dimotakis, Paul

2017-11-01

Artificial numerical dissipation decreases dispersive oscillations and can play a key role in mitigating unphysical scalar excursions in large eddy simulations (LES). Its influence on scalar mixing can be assessed through the resolved-scale scalar, Z , its probability density function (PDF), variance, spectra, and the budget of the horizontally averaged equation for Z2. LES of incompressible temporally evolving shear flow enabled us to study the influence of numerical dissipation on unphysical scalar excursions and mixing estimates. Flows with different mixing behavior, with both marching and non-marching scalar PDFs, are studied. Scalar fields for each flow are compared for different grid resolutions and numerical scalar-convection term schemes. As expected, increasing numerical dissipation enhances scalar mixing in the development stage of shear flow characterized by organized large-scale pairings with a non-marching PDF, but has little influence in the self-similar stage of flows with marching PDFs. Flow parameters and regimes sensitive to numerical dissipation help identify approaches to mitigate unphysical excursions while minimizing dissipation.

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.)

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

Guiding-center models for edge plasmas and numerical simulations of isolated plasma filaments

International Nuclear Information System (INIS)

Madsen, Jens

2010-09-01

The work presented in this thesis falls into two categories: development of reduced dynamical models applicable to edge turbulence in magnetically confined fusion plasmas and numerical simulations of isolated plasma filaments in the scrape-off layer region investigating the influence of finite Larmor radius effects on the radial plasma transport. The coexistence of low-frequency fluctuations, having length scales comparable to the ion gyroradius, steep pressure gradients and strong E x B flows in the edge region of fusion plasmas violates the standard gyrokinetic ordering. In this thesis two models are presented that overcome some of the difficulties associated with the development of reduced dynamical models applicable to the edge. Second order guiding-center coordinates are derived using the phasespace Lie transform method. Using a variational principle the corresponding Vlasov-Maxwell equations expressed in guiding-center coordinates are derived including a local energy theorem. The second order terms describe lowest order finite Larmor radius effects. This set of equations might be relevant for edge plasmas due to the capability of capturing strong E x B flows and lowest order finite Larmor radius effects self-consistently. Next, an extension of the existing gyrokinetic formalism with strong flows is presented. In this work the background electric fields is dynamical, whereas earlier contributions did only incorporate a stationary electric field. In an ordering relevant for edge plasma turbulence, fully electromagnetic second order gyrokinetic coordinates and the corresponding gyrokinetic Vlasov-Maxwell equations are derived, including a local energy theorem. By taking the polarization and magnetization densities in the drift kinetic limit, we present the gyrokinetic Vlasov-Maxwell equations in a more tractable form, which could be relevant for direct numerical simulations of edge plasma turbulence. Finally, an investigation of the influence of finite Larmor

Guiding-center models for edge plasmas and numerical simulations of isolated plasma filaments

Energy Technology Data Exchange (ETDEWEB)

Madsen, Jens

2010-09-15

The work presented in this thesis falls into two categories: development of reduced dynamical models applicable to edge turbulence in magnetically confined fusion plasmas and numerical simulations of isolated plasma filaments in the scrape-off layer region investigating the influence of finite Larmor radius effects on the radial plasma transport. The coexistence of low-frequency fluctuations, having length scales comparable to the ion gyroradius, steep pressure gradients and strong E x B flows in the edge region of fusion plasmas violates the standard gyrokinetic ordering. In this thesis two models are presented that overcome some of the difficulties associated with the development of reduced dynamical models applicable to the edge. Second order guiding-center coordinates are derived using the phasespace Lie transform method. Using a variational principle the corresponding Vlasov-Maxwell equations expressed in guiding-center coordinates are derived including a local energy theorem. The second order terms describe lowest order finite Larmor radius effects. This set of equations might be relevant for edge plasmas due to the capability of capturing strong E x B flows and lowest order finite Larmor radius effects self-consistently. Next, an extension of the existing gyrokinetic formalism with strong flows is presented. In this work the background electric fields is dynamical, whereas earlier contributions did only incorporate a stationary electric field. In an ordering relevant for edge plasma turbulence, fully electromagnetic second order gyrokinetic coordinates and the corresponding gyrokinetic Vlasov-Maxwell equations are derived, including a local energy theorem. By taking the polarization and magnetization densities in the drift kinetic limit, we present the gyrokinetic Vlasov-Maxwell equations in a more tractable form, which could be relevant for direct numerical simulations of edge plasma turbulence. Finally, an investigation of the influence of finite Larmor

Numerical simulation of airfoil trailing edge serration noise

DEFF Research Database (Denmark)

Zhu, Wei Jun; Shen, Wen Zhong

In the present work, numerical simulations are carried out for a low noise airfoil with and without serrated Trailing Edge. The Ffowcs Williams-Hawkings acoustic analogy is implemented into the in-house incompressible flow solver EllipSys3D. The instantaneous hydrodynamic pressure and velocity...... field are obtained using Large Eddy Simulation. To obtain the time history data of sound pressure, the flow quantities are integrated around the airfoil surface through the FW-H approach. The extended length of the serration is about 16.7% of the airfoil chord and the geometric angle of the serration...... is 28 degrees. The chord based Reynolds number is around 1.5x106. Simulations are compared with existing wind tunnel experiments at various angles of attack. Even though the airfoil under investigation is already optimized for low noise emission, numerical simulations and wind tunnel experiments show...

Processing biobased polymers using plasticizers: Numerical simulations versus experiments

Science.gov (United States)

Desplentere, Frederik; Cardon, Ludwig; Six, Wim; Erkoç, Mustafa

2016-03-01

In polymer processing, the use of biobased products shows lots of possibilities. Considering biobased materials, biodegradability is in most cases the most important issue. Next to this, bio based materials aimed at durable applications, are gaining interest. Within this research, the influence of plasticizers on the processing of the bio based material is investigated. This work is done for an extrusion grade of PLA, Natureworks PLA 2003D. Extrusion through a slit die equipped with pressure sensors is used to compare the experimental pressure values to numerical simulation results. Additional experimental data (temperature and pressure data along the extrusion screw and die are recorded) is generated on a dr. Collin Lab extruder producing a 25mm diameter tube. All these experimental data is used to indicate the appropriate functioning of the numerical simulation tool Virtual Extrusion Laboratory 6.7 for the simulation of both the industrial available extrusion grade PLA and the compound in which 15% of plasticizer is added. Adding the applied plasticizer, resulted in a 40% lower pressure drop over the extrusion die. The combination of different experiments allowed to fit the numerical simulation results closely to the experimental values. Based on this experience, it is shown that numerical simulations also can be used for modified bio based materials if appropriate material and process data are taken into account.

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

Numerical simulation code for combustion of sodium liquid droplet and its verification

International Nuclear Information System (INIS)

Okano, Yasushi

1997-11-01

The computer programs for sodium leak and burning phenomena had been developed based on mechanistic approach. Direct numerical simulation code for sodium liquid droplet burning had been developed for numerical analysis of droplet combustion in forced convection air flow. Distributions of heat generation and temperature and reaction rate of chemical productions, such as sodium oxide and hydroxide, are calculated and evaluated with using this numerical code. Extended MAC method coupled with a higher-order upwind scheme had been used for combustion simulation of methane-air mixture. In the numerical simulation code for combustion of sodium liquid droplet, chemical reaction model of sodium was connected with the extended MAC method. Combustion of single sodium liquid droplet was simulated in this report for the verification of developed numerical simulation code. The changes of burning rate and reaction product with droplet diameter and inlet wind velocity were investigated. These calculation results were qualitatively and quantitatively conformed to the experimental and calculation observations in combustion engineering. It was confirmed that the numerical simulation code was available for the calculation of sodium liquid droplet burning. (author)

Numerical simulation of anisotropic preheating ablative Rayleigh-Taylor instability

International Nuclear Information System (INIS)

Wang Lifeng; Ye Wenhua; Li Yingjun

2010-01-01

The linear growth rate of the anisotropic preheating ablative Rayleigh-Taylor instability (ARTI) is studied by numerical simulations. The preheating model κ(T)=κ SH [1+f(T)] is applied, where f(T) is the preheating function interpreting the preheating tongue effect in the cold plasma ahead of the ablative front. An arbitrary coefficient D is introduced in the energy equation to study the influence of transverse thermal conductivity on the growth of the ARTI. We find that enhancing diffusion in a plane transverse to the mean longitudinal flow can strongly reduce the growth of the instability. Numerical simulations exhibit a significant stabilization of the ablation front by improving the transverse thermal conduction. Our results are in general agreement with the theory analysis and numerical simulations by Masse. (authors)

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)

Numerical Simulation of Antennae by Discrete Exterior Calculus

International Nuclear Information System (INIS)

Xie Zheng; Ye Zheng; Ma Yujie

2009-01-01

Numerical simulation of antennae is a topic in computational electromagnetism, which is concerned with the numerical study of Maxwell equations. By discrete exterior calculus and the lattice gauge theory with coefficient R, we obtain the Bianchi identity on prism lattice. By defining an inner product of discrete differential forms, we derive the source equation and continuity equation. Those equations compose the discrete Maxwell equations in vacuum case on discrete manifold, which are implemented on Java development platform to simulate the Gaussian pulse radiation on antennaes. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

Numerical study on discharge process of microcavity plasma

International Nuclear Information System (INIS)

Xia Guangqing; Xue Weihua; Wang Dongxue; Zhu Guoqiang; Zhu Yu

2012-01-01

The evolution of plasma parameters during high pressure discharge in the microcavity with a hollow anode was numerically studied, with a two-dimensional self-consistent fluid model. The simulations were performed with argon at 13.3 kPa. The numerical results show that during the discharge the electric field around the cathode transforms from an axial field to a radial field, the plasma density gets the maximum value on the central line of the cavity and the location of the maximum density moves from the region near anode at the initial stage to the cathode vicinity at the stable stage, and the maximum electron temperature occurs in the ring sheath of cathode. (authors)

Numerical simulation in plasma physics

International Nuclear Information System (INIS)

Samarskii, A.A.

1980-01-01

Plasma physics is not only a field for development of physical theories and mathematical models but also an object of application of the computational experiment comprising analytical and numerical methods adapted for computers. The author considers only MHD plasma physics problems. Examples treated are dissipative structures in plasma; MHD model of solar dynamo; supernova explosion simulation; and plasma compression by a liner. (Auth.)

Numerical analysis

CERN Document Server

Scott, L Ridgway

2011-01-01

Computational science is fundamentally changing how technological questions are addressed. The design of aircraft, automobiles, and even racing sailboats is now done by computational simulation. The mathematical foundation of this new approach is numerical analysis, which studies algorithms for computing expressions defined with real numbers. Emphasizing the theory behind the computation, this book provides a rigorous and self-contained introduction to numerical analysis and presents the advanced mathematics that underpin industrial software, including complete details that are missing from most textbooks. Using an inquiry-based learning approach, Numerical Analysis is written in a narrative style, provides historical background, and includes many of the proofs and technical details in exercises. Students will be able to go beyond an elementary understanding of numerical simulation and develop deep insights into the foundations of the subject. They will no longer have to accept the mathematical gaps that ex...

A new unconditionally stable and consistent quasi-analytical in-stream water quality solution scheme for CSTR-based water quality simulators

Science.gov (United States)

Woldegiorgis, Befekadu Taddesse; van Griensven, Ann; Pereira, Fernando; Bauwens, Willy

2017-06-01

Most common numerical solutions used in CSTR-based in-stream water quality simulators are susceptible to instabilities and/or solution inconsistencies. Usually, they cope with instability problems by adopting computationally expensive small time steps. However, some simulators use fixed computation time steps and hence do not have the flexibility to do so. This paper presents a novel quasi-analytical solution for CSTR-based water quality simulators of an unsteady system. The robustness of the new method is compared with the commonly used fourth-order Runge-Kutta methods, the Euler method and three versions of the SWAT model (SWAT2012, SWAT-TCEQ, and ESWAT). The performance of each method is tested for different hypothetical experiments. Besides the hypothetical data, a real case study is used for comparison. The growth factors we derived as stability measures for the different methods and the R-factor—considered as a consistency measure—turned out to be very useful for determining the most robust method. The new method outperformed all the numerical methods used in the hypothetical comparisons. The application for the Zenne River (Belgium) shows that the new method provides stable and consistent BOD simulations whereas the SWAT2012 model is shown to be unstable for the standard daily computation time step. The new method unconditionally simulates robust solutions. Therefore, it is a reliable scheme for CSTR-based water quality simulators that use first-order reaction formulations.

3D numerical simulations of multiphase continental rifting

Science.gov (United States)

Naliboff, J.; Glerum, A.; Brune, S.

2017-12-01

Observations of rifted margin architecture suggest continental breakup occurs through multiple phases of extension with distinct styles of deformation. The initial rifting stages are often characterized by slow extension rates and distributed normal faulting in the upper crust decoupled from deformation in the lower crust and mantle lithosphere. Further rifting marks a transition to higher extension rates and coupling between the crust and mantle lithosphere, with deformation typically focused along large-scale detachment faults. Significantly, recent detailed reconstructions and high-resolution 2D numerical simulations suggest that rather than remaining focused on a single long-lived detachment fault, deformation in this phase may progress toward lithospheric breakup through a complex process of fault interaction and development. The numerical simulations also suggest that an initial phase of distributed normal faulting can play a key role in the development of these complex fault networks and the resulting finite deformation patterns. Motivated by these findings, we will present 3D numerical simulations of continental rifting that examine the role of temporal increases in extension velocity on rifted margin structure. The numerical simulations are developed with the massively parallel finite-element code ASPECT. While originally designed to model mantle convection using advanced solvers and adaptive mesh refinement techniques, ASPECT has been extended to model visco-plastic deformation that combines a Drucker Prager yield criterion with non-linear dislocation and diffusion creep. To promote deformation localization, the internal friction angle and cohesion weaken as a function of accumulated plastic strain. Rather than prescribing a single zone of weakness to initiate deformation, an initial random perturbation of the plastic strain field combined with rapid strain weakening produces distributed normal faulting at relatively slow rates of extension in both 2D and

Numerical simulation and physical aspects of supersonic vortex breakdown

Science.gov (United States)

Liu, C. H.; Kandil, O. A.; Kandil, H. A.

1993-01-01

Existing numerical simulations and physical aspects of subsonic and supersonic vortex-breakdown modes are reviewed. The solution to the problem of supersonic vortex breakdown is emphasized in this paper and carried out with the full Navier-Stokes equations for compressible flows. Numerical simulations of vortex-breakdown modes are presented in bounded and unbounded domains. The effects of different types of downstream-exit boundary conditions are studied and discussed.

Dynamic load synthesis for shock numerical simulation in space structure design

Science.gov (United States)

Monti, Riccardo; Gasbarri, Paolo

2017-08-01

Pyroshock loads are the most stressing environments that a space equipment experiences during its operating life from a mechanical point of view. In general, the mechanical designer considers the pyroshock analysis as a very demanding constraint. Unfortunately, due to the non-linear behaviour of the structure under such loads, only the experimental tests can demonstrate if it is able to withstand these dynamic loads. By taking all the previous considerations into account, some preliminary information about the design correctness could be done by performing ;ad-hoc; numerical simulations, for example via commercial finite element software (i.e. MSC Nastran). Usually these numerical tools face the shock solution in two ways: 1) a direct mode, by using a time dependent enforcement and by evaluating the time-response and space-response as well as the internal forces; 2) a modal basis approach, by considering a frequency dependent load and of course by evaluating internal forces in the frequency domain. This paper has the main aim to develop a numerical tool to synthetize the time dependent enforcement based on deterministic and/or genetic algorithm optimisers. In particular starting from a specified spectrum in terms of SRS (Shock Response Spectrum) a time dependent discrete function, typically an acceleration profile, will be obtained to force the equipment by simulating the shock event. The synthetizing time and the interface with standards numerical codes will be two of the main topics dealt with in the paper. In addition a congruity and consistency methodology will be presented to ensure that the identified time dependent loads fully match the specified spectrum.

Self-Consistent Scheme for Spike-Train Power Spectra in Heterogeneous Sparse Networks.

Science.gov (United States)

Pena, Rodrigo F O; Vellmer, Sebastian; Bernardi, Davide; Roque, Antonio C; Lindner, Benjamin

2018-01-01

Recurrent networks of spiking neurons can be in an asynchronous state characterized by low or absent cross-correlations and spike statistics which resemble those of cortical neurons. Although spatial correlations are negligible in this state, neurons can show pronounced temporal correlations in their spike trains that can be quantified by the autocorrelation function or the spike-train power spectrum. Depending on cellular and network parameters, correlations display diverse patterns (ranging from simple refractory-period effects and stochastic oscillations to slow fluctuations) and it is generally not well-understood how these dependencies come about. Previous work has explored how the single-cell correlations in a homogeneous network (excitatory and inhibitory integrate-and-fire neurons with nearly balanced mean recurrent input) can be determined numerically from an iterative single-neuron simulation. Such a scheme is based on the fact that every neuron is driven by the network noise (i.e., the input currents from all its presynaptic partners) but also contributes to the network noise, leading to a self-consistency condition for the input and output spectra. Here we first extend this scheme to homogeneous networks with strong recurrent inhibition and a synaptic filter, in which instabilities of the previous scheme are avoided by an averaging procedure. We then extend the scheme to heterogeneous networks in which (i) different neural subpopulations (e.g., excitatory and inhibitory neurons) have different cellular or connectivity parameters; (ii) the number and strength of the input connections are random (Erdős-Rényi topology) and thus different among neurons. In all heterogeneous cases, neurons are lumped in different classes each of which is represented by a single neuron in the iterative scheme; in addition, we make a Gaussian approximation of the input current to the neuron. These approximations seem to be justified over a broad range of parameters as

Self-Consistent Scheme for Spike-Train Power Spectra in Heterogeneous Sparse Networks

Directory of Open Access Journals (Sweden)

Rodrigo F. O. Pena

2018-03-01

Full Text Available Recurrent networks of spiking neurons can be in an asynchronous state characterized by low or absent cross-correlations and spike statistics which resemble those of cortical neurons. Although spatial correlations are negligible in this state, neurons can show pronounced temporal correlations in their spike trains that can be quantified by the autocorrelation function or the spike-train power spectrum. Depending on cellular and network parameters, correlations display diverse patterns (ranging from simple refractory-period effects and stochastic oscillations to slow fluctuations and it is generally not well-understood how these dependencies come about. Previous work has explored how the single-cell correlations in a homogeneous network (excitatory and inhibitory integrate-and-fire neurons with nearly balanced mean recurrent input can be determined numerically from an iterative single-neuron simulation. Such a scheme is based on the fact that every neuron is driven by the network noise (i.e., the input currents from all its presynaptic partners but also contributes to the network noise, leading to a self-consistency condition for the input and output spectra. Here we first extend this scheme to homogeneous networks with strong recurrent inhibition and a synaptic filter, in which instabilities of the previous scheme are avoided by an averaging procedure. We then extend the scheme to heterogeneous networks in which (i different neural subpopulations (e.g., excitatory and inhibitory neurons have different cellular or connectivity parameters; (ii the number and strength of the input connections are random (Erdős-Rényi topology and thus different among neurons. In all heterogeneous cases, neurons are lumped in different classes each of which is represented by a single neuron in the iterative scheme; in addition, we make a Gaussian approximation of the input current to the neuron. These approximations seem to be justified over a broad range of

Optimal design of a composite space shield based on numerical simulations

International Nuclear Information System (INIS)

Son, Byung Jin; Yoo, Jeong Hoon; Lee, Min Hyung

2015-01-01

In this study, optimal design of a stuffed Whipple shield is proposed by using numerical simulations and new penetration criterion. The target model was selected based on the shield model used in the Columbus module of the international space station. Because experimental results can be obtained only in the low velocity region below 7 km/s, it is required to derive the Ballistic limit curve (BLC) in the high velocity region above 7 km/s by numerical simulation. AUTODYN-2D, the commercial hydro-code package, was used to simulate the nonlinear transient analysis for the hypervelocity impact. The Smoothed particle hydrodynamics (SPH) method was applied to projectile and bumper modeling to represent the debris cloud generated after the impact. Numerical simulation model and selected material properties were validated through a quantitative comparison between numerical and experimental results. A new criterion to determine whether the penetration occurs or not is proposed from kinetic energy analysis by numerical simulation in the velocity region over 7 km/s. The parameter optimization process was performed to improve the protection ability at a specific condition through the Design of experiment (DOE) method and the Response surface methodology (RSM). The performance of the proposed optimal design was numerically verified.

Behavioral modeling of SRIM tables for numerical simulation

Energy Technology Data Exchange (ETDEWEB)

Martinie, S., E-mail: sebastien.martinie@cea.fr; Saad-Saoud, T.; Moindjie, S.; Munteanu, D.; Autran, J.L., E-mail: jean-luc.autran@univ-amu.fr

2014-03-01

Highlights: • Behavioral modeling of SRIM data is performed on the basis of power polynomial fitting functions. • Fast and continuous numerical functions are proposed for the stopping power and projected range. • Functions have been successfully tested for a wide variety of ions and targets. • Typical accuracies below the percent have been obtained in the range 1 keV–1 GeV. - Abstract: This work describes a simple way to implement SRIM stopping power and range tabulated data in the form of fast and continuous numerical functions for intensive simulation. We provide here the methodology of this behavioral modeling as well as the details of the implementation and some numerical examples for ions in silicon target. Developed functions have been successfully tested and used for the simulation of soft errors in microelectronics circuits.

Behavioral modeling of SRIM tables for numerical simulation

International Nuclear Information System (INIS)

Martinie, S.; Saad-Saoud, T.; Moindjie, S.; Munteanu, D.; Autran, J.L.

2014-01-01

Highlights: • Behavioral modeling of SRIM data is performed on the basis of power polynomial fitting functions. • Fast and continuous numerical functions are proposed for the stopping power and projected range. • Functions have been successfully tested for a wide variety of ions and targets. • Typical accuracies below the percent have been obtained in the range 1 keV–1 GeV. - Abstract: This work describes a simple way to implement SRIM stopping power and range tabulated data in the form of fast and continuous numerical functions for intensive simulation. We provide here the methodology of this behavioral modeling as well as the details of the implementation and some numerical examples for ions in silicon target. Developed functions have been successfully tested and used for the simulation of soft errors in microelectronics circuits

Numerical Simulation of Anisotropic Preheating Ablative Rayleigh–Taylor Instability

International Nuclear Information System (INIS)

Li-Feng, Wang; Wen-Hua, Ye; Ying-Jun, Li

2010-01-01

The linear growth rate of the anisotropic preheating ablative Rayleigh–Taylor instability (ARTI) is studied by numerical simulations. The preheating model κ(T) = κ SH [1 + f(T)] is applied, where f(T) is the preheating function interpreting the preheating tongue effect in the cold plasma ahead of the ablative front. An arbitrary coefficient D is introduced in the energy equation to study the influence of transverse thermal conductivity on the growth of the ARTI. We find that enhancing diffusion in a plane transverse to the mean longitudinal flow can strongly reduce the growth of the instability. Numerical simulations exhibit a significant stabilization of the ablation front by improving the transverse thermal conduction. Our results are in general agreement with the theory analysis and numerical simulations by Masse [Phys. Rev. Lett. 98 (2007) 245001]. (physics of gases, plasmas, and electric discharges)

Three-Dimensional Numerical Simulation to Mud Turbine for LWD

Science.gov (United States)

Yao, Xiaojiang; Dong, Jingxin; Shang, Jie; Zhang, Guanqi

Hydraulic performance analysis was discussed for a type of turbine on generator used for LWD. The simulation models were built by CFD analysis software FINE/Turbo, and full three-dimensional numerical simulation was carried out for impeller group. The hydraulic parameter such as power, speed and pressure drop, were calculated in two kinds of medium water and mud. Experiment was built in water environment. The error of numerical simulation was less than 6%, verified by experiment. Based on this rationalization proposals would be given to choice appropriate impellers, and the rationalization of methods would be explored.

Numerical simulation support to the ESA/THOR mission

Science.gov (United States)

Valentini, F.; Servidio, S.; Perri, S.; Perrone, D.; De Marco, R.; Marcucci, M. F.; Daniele, B.; Bruno, R.; Camporeale, E.

2016-12-01

THOR is a spacecraft concept currently undergoing study phase as acandidate for the next ESA medium size mission M4. THOR has been designedto solve the longstanding physical problems of particle heating andenergization in turbulent plasmas. It will provide high resolutionmeasurements of electromagnetic fields and particle distribution functionswith unprecedented resolution, with the aim of exploring the so-calledkinetic scales. We present the numerical simulation framework which is supporting the THOR mission during the study phase. The THOR teamincludes many scientists developing and running different simulation codes(Eulerian-Vlasov, Particle-In-Cell, Gyrokinetics, Two-fluid, MHD, etc.),addressing the physics of plasma turbulence, shocks, magnetic reconnectionand so on.These numerical codes are being used during the study phase, mainly withthe aim of addressing the following points:(i) to simulate the response of real particle instruments on board THOR, byemploying an electrostatic analyser simulator which mimics the response ofthe CSW, IMS and TEA instruments to the particle velocity distributions ofprotons, alpha particle and electrons, as obtained from kinetic numericalsimulations of plasma turbulence.(ii) to compare multi-spacecraft with single-spacecraft configurations inmeasuring current density, by making use of both numerical models ofsynthetic turbulence and real data from MMS spacecraft.(iii) to investigate the validity of the Taylor hypothesis indifferent configurations of plasma turbulence

Combining Narrative and Numerical Simulation

DEFF Research Database (Denmark)

Hansen, Mette Sanne; Ladeby, Klaes Rohde; Rasmussen, Lauge Baungaard

2011-01-01

for decision makers to systematically test several different outputs of possible solutions in order to prepare for future consequences. The CSA can be a way to evaluate risks and address possible unforeseen problems in a more methodical way than either guessing or forecasting. This paper contributes...... to the decision making in operations and production management by providing new insights into modelling and simulation based on the combined narrative and numerical simulation approach as a tool for strategy making. The research question asks, “How can the CSA be applied in a practical context to support strategy...... making?” The paper uses a case study where interviews and observations were carried out in a Danish corporation. The CSA is a new way to address decision making and has both practical value and further expands the use of strategic simulation as a management tool....

Direct numerical simulation of water droplet coalescence in the oil

International Nuclear Information System (INIS)

Mohammadi, Mehdi; Shahhosseini, Shahrokh; Bayat, Mahmoud

2012-01-01

Highlights: ► VOF computational technique has been used to simulate coalescence of two water droplets in oil. ► The model was validated with the experimental data for binary droplet coalescence. ► Based on the CFD simulation results a correlation has been proposed to predict the coalescence time. - Abstract: Coalescence of two water droplets in the oil was simulated using Computational Fluid Dynamics (CFD) techniques. The finite volume numerical method was applied to solve the Navier–Stokes equations in conjunction with the Volume of Fluid (VOF) approach for interface tracking. The effects of some parameters consisting of the collision velocity, off-center collision parameter, oil viscosity and water–oil interfacial tension on the coalescence time were investigated. The simulation results were validated against the experimental data available in the literature. The results revealed that quicker coalescence could be achieved if the head-on collisions occur or the droplets approach each other with a high velocity. In addition, low oil viscosities or large water–oil interfacial tensions cause less coalescence time. Moreover, a correlation was developed to predict coalescence efficiency as a function of the mentioned parameters.

Numerical simulation of the self-pumped long Josephson junction using a modified sine-Gordon model

DEFF Research Database (Denmark)

Sobolev, A.; Pankratov, A.; Mygind, Jesper

2006-01-01

We have numerically investigated the dynamics of a long Josephson junction (flux-flow oscillator) biased by a DC current in the presence of magnetic field. The study is performed in the frame of the modified sine-Gordon model, which includes the surface losses, RC-load at both FFO ends and the self-pumping...... effect. In our model the dumping parameter depends both on the spatial coordinate and the amplitude of the AC voltage. In order to find the DC FFO voltage the damping parameter has to be calculated by successive approximations and time integration of the perturbed sine-Gordon equation. The modified model...

Numerical simulations of the industrial circulating fluidized bed boiler under air- and oxy-fuel combustion

International Nuclear Information System (INIS)

Adamczyk, Wojciech P.; Kozołub, Paweł; Klimanek, Adam; Białecki, Ryszard A.; Andrzejczyk, Marek; Klajny, Marcin

2015-01-01

Measured and numerical results of air-fuel combustion process within large scale industrial circulating fluidized bed (CFB) boiler is presented in this paper. For numerical simulations the industrial compact CFB boiler was selected. Numerical simulations were carried out using three-dimensional model where the dense particulate transport phenomenon was simultaneously modelled with combustion process. The fluidization process was modelled using the hybrid Euler-Lagrange approach. The impact of the geometrical model simplification on predicted mass distribution and temperature profiles over CFB boiler combustion chamber two kinds of geometrical models were used, namely the complete model which consist of combustion chamber, solid separators, external solid super-heaters and simplified boiler geometry which was reduced to the combustion chamber. The evaluated temperature and pressure profiles during numerical simulations were compared against measured data collected during boiler air-fuel operation. Collected data was also used for validating numerical model of the oxy-fuel combustion model. Stability of the model and its sensitivity on changes of several input parameters were studied. The comparison of the pressure and temperature profiles for all considered cases gave comparable trends in contrary to measured data. Moreover, some additional test was carried out the check the influence of radiative heat transfer on predicted temperature profile within the CFB boiler. - Highlights: • Hybrid Euler-Lagrange approach was used for modelling particle transport, air- and oxy-fuel combustion process. • Numerical results were validated against measured data. • The influence of different boiler operating conditions on calculated temperature profile was investigated. • New strategy for resolving particle transport in circulating fluidized bed was shown

Towards numerical simulations of supersonic liquid jets using ghost fluid method

International Nuclear Information System (INIS)

Majidi, Sahand; Afshari, Asghar

2015-01-01

Highlights: • A ghost fluid method based solver is developed for numerical simulation of compressible multiphase flows. • The performance of the numerical tool is validated via several benchmark problems. • Emergence of supersonic liquid jets in quiescent gaseous environment is simulated using ghost fluid method for the first time. • Bow-shock formation ahead of the liquid jet is clearly observed in the obtained numerical results. • Radiation of mach waves from the phase-interface witnessed experimentally is evidently captured in our numerical simulations. - Abstract: A computational tool based on the ghost fluid method (GFM) is developed to study supersonic liquid jets involving strong shocks and contact discontinuities with high density ratios. The solver utilizes constrained reinitialization method and is capable of switching between the exact and approximate Riemann solvers to increase the robustness. The numerical methodology is validated through several benchmark test problems; these include one-dimensional multiphase shock tube problem, shock–bubble interaction, air cavity collapse in water, and underwater-explosion. A comparison between our results and numerical and experimental observations indicate that the developed solver performs well investigating these problems. The code is then used to simulate the emergence of a supersonic liquid jet into a quiescent gaseous medium, which is the very first time to be studied by a ghost fluid method. The results of simulations are in good agreement with the experimental investigations. Also some of the famous flow characteristics, like the propagation of pressure-waves from the liquid jet interface and dependence of the Mach cone structure on the inlet Mach number, are reproduced numerically. The numerical simulations conducted here suggest that the ghost fluid method is an affordable and reliable scheme to study complicated interfacial evolutions in complex multiphase systems such as supersonic liquid

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.

Taylor bubbles at high viscosity ratios: experiments and numerical simulations

Science.gov (United States)

Hewakandamby, Buddhika; Hasan, Abbas; Azzopardi, Barry; Xie, Zhihua; Pain, Chris; Matar, Omar

2015-11-01

The Taylor bubble is a single long bubble which nearly fills the entire cross section of a liquid-filled circular tube, often occurring in gas-liquid slug flows in many industrial applications, particularly oil and gas production. The objective of this study is to investigate the fluid dynamics of three-dimensional Taylor bubble rising in highly viscous silicone oil in a vertical pipe. An adaptive unstructured mesh modelling framework is adopted here which can modify and adapt anisotropic unstructured meshes to better represent the underlying physics of bubble rising and reduce computational effort without sacrificing accuracy. The numerical framework consists of a mixed control volume and finite element formulation, a `volume of fluid'-type method for the interface-capturing based on a compressive control volume advection method, and a force-balanced algorithm for the surface tension implementation. Experimental results for the Taylor bubble shape and rise velocity are presented, together with numerical results for the dynamics of the bubbles. A comparison of the simulation predictions with experimental data available in the literature is also presented to demonstrate the capabilities of our numerical method. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.

Direct numerical simulation of noninvasive channel healing in electrical field

KAUST Repository

Wang, Yi

2017-11-25

Noninvasive channel healing is a new idea to repair the broken pipe wall, using external electric fields to drive iron particles to the destination. The repair can be done in the normal operation of the pipe flow without any shutdown of the pipeline so that this method can be a potentially efficient and safe technology of pipe healing. However, the real application needs full knowledge of healing details. Numerical simulation is an effective method. Thus, in this research, we first established a numerical model for noninvasive channel healing technology to represent fluid–particle interaction. The iron particles can be attached to a cracking area by external electrostatic forces or can also be detached by mechanical forces from the fluid. When enough particles are permanently attached on the cracking area, the pipe wall can be healed. The numerical criterion of the permanent attachment is discussed. A fully three-dimensional finite difference framework of direct numerical simulation is established and applied to different cases to simulate the full process of channel healing. The impact of Reynolds number and particle concentration on the healing process is discussed. This numerical investigation provides valuable reference and tools for further simulation of real pipe healing in engineering.

Numerical simulation of small scale soft impact tests

International Nuclear Information System (INIS)

Varpasuo, Pentti

2008-01-01

This paper describes the small scale soft missile impact tests. The purpose of the test program is to provide data for the calibration of the numerical simulation models for impact simulation. In the experiments, both dry and fluid filled missiles are used. The tests with fluid filled missiles investigate the release speed and the droplet size of the fluid release. This data is important in quantifying the fire hazard of flammable liquid after the release. The spray release velocity and droplet size are also input data for analytical and numerical simulation of the liquid spread in the impact. The behaviour of the impact target is the second investigative goal of the test program. The response of reinforced and pre-stressed concrete walls is studied with the aid of displacement and strain monitoring. (authors)

Numerical simulation of large deformation polycrystalline plasticity

International Nuclear Information System (INIS)

Inal, K.; Neale, K.W.; Wu, P.D.; MacEwen, S.R.

2000-01-01

A finite element model based on crystal plasticity has been developed to simulate the stress-strain response of sheet metal specimens in uniaxial tension. Each material point in the sheet is considered to be a polycrystalline aggregate of FCC grains. The Taylor theory of crystal plasticity is assumed. The numerical analysis incorporates parallel computing features enabling simulations of realistic models with large number of grains. Simulations have been carried out for the AA3004-H19 aluminium alloy and the results are compared with experimental data. (author)

Parallel numerical simulation of oscillating airfoil NACA0015 in the channel due to flutter instability

Directory of Open Access Journals (Sweden)

Řidký Václav

2014-03-01

Full Text Available The work is devoted to 3D and 2D parallel numerical computation of pressure and velocity fields around an elastically supported airfoil self-oscillating due to interaction with the airflow. Numerical solution is computed in the OpenFOAM package, an open-source software package based on finite volume method. Movement of airfoil is described by translation and rotation, identified from experimental data. A new boundary condition for the 2DOF motion of the airfoil was implemented. The results of numerical simulations (velocity are compared with data measured in a wind tunnel, where a physical model of NACA0015 airfoil was mounted and tuned to exhibit the flutter instability. The experimental results were obtained previously in the Institute of Thermomechanics by interferographic measurements in a subsonic wind tunnel in Nový Knín.

Carbon Dioxide Dispersion in the Combustion Integrated Rack Simulated Numerically

Science.gov (United States)

Wu, Ming-Shin; Ruff, Gary A.

2004-01-01

When discharged into an International Space Station (ISS) payload rack, a carbon dioxide (CO2) portable fire extinguisher (PFE) must extinguish a fire by decreasing the oxygen in the rack by 50 percent within 60 sec. The length of time needed for this oxygen reduction throughout the rack and the length of time that the CO2 concentration remains high enough to prevent the fire from reigniting is important when determining the effectiveness of the response and postfire procedures. Furthermore, in the absence of gravity, the local flow velocity can make the difference between a fire that spreads rapidly and one that self-extinguishes after ignition. A numerical simulation of the discharge of CO2 from PFE into the Combustion Integrated Rack (CIR) in microgravity was performed to obtain the local velocity and CO2 concentration. The complicated flow field around the PFE nozzle exits was modeled by sources of equivalent mass and momentum flux at a location downstream of the nozzle. The time for the concentration of CO2 to reach a level that would extinguish a fire anywhere in the rack was determined using the Fire Dynamics Simulator (FDS), a computational fluid dynamics code developed by the National Institute of Standards and Technology specifically to evaluate the development of a fire and smoke transport. The simulation shows that CO2, as well as any smoke and combustion gases produced by a fire, would be discharged into the ISS cabin through the resource utility panel at the bottom of the rack. These simulations will be validated by comparing the results with velocity and CO2 concentration measurements obtained during the fire suppression system verification tests conducted on the CIR in March 2003. Once these numerical simulations are validated, portions of the ISS labs and living areas will be modeled to determine the local flow conditions before, during, and after a fire event. These simulations can yield specific information about how long it takes for smoke and

The impact of simulation education on self-efficacy towards teaching for nurse educators.

Science.gov (United States)

Garner, S L; Killingsworth, E; Bradshaw, M; Raj, L; Johnson, S R; Abijah, S P; Parimala, S; Victor, S

2018-03-23

The objective of this study was to assess the impact of a simulation workshop on self-efficacy towards teaching for nurse educators in India. Additionally, we sought to revise and validate a tool to measure self-efficacy in teaching for use with a global audience. Simulation is an evidence-based teaching and learning method and is increasingly used in nursing education globally. As new technology and teaching methods such as simulation continue to evolve, it is important for new as well as experienced nurse educators globally to have confidence in their teaching skills and abilities. The study included (1) instrument revision, and measures of reliability and validation, (2) an 8-h faculty development workshop intervention on simulation, (3) pre- and post-survey of self-efficacy among nurse educators, and (4) investigation of relationship between faculty socio-demographics and degree of self-efficacy. The modified tool showed internal consistency (r = 0.98) and was validated by international faculty experts. There were significant improvements in total self-efficacy (P < 0.001) and subscale scores among nurse educators after the simulation workshop intervention when compared to pre-survey results. No significant relationships were found between socio-demographic variables and degree of self-efficacy. Strong self-efficacy in teaching among nurse educators is crucial for effective learning to occur. Results indicated the simulation workshop was effective in significantly improving self-efficacy towards teaching for nurse educators using an internationally validated tool. The Minister of Health in India recently called for improvements in nursing education. Introducing nursing education on simulation as a teaching method in India and globally to improve self-efficacy among teachers is an example of a strategy towards meeting this call. © 2018 The Authors International Nursing Review published by John Wiley & Sons Ltd on behalf of International Council of Nurses.

Numerical simulations of progressive hardening by using ABAQUS FEA software

Directory of Open Access Journals (Sweden)

Domański Tomasz

2018-01-01

Full Text Available The paper concerns numerical simulations of progressive hardening include phase transformations in solid state of steel. Abaqus FEA software is used for numerical analysis of temperature field and phase transformations. Numerical subroutines, written in fortran programming language are used in computer simulations where models of the distribution of movable heat source, kinetics of phase transformations in solid state as well as thermal and structural strain are implemented. Model for evaluation of fractions of phases and their kinetics is based on continuous heating diagram and continuous cooling diagram. The numerical analysis of thermal fields, phase fractions and strain associated progressive hardening of elements made of steel were done.

Formation of self-organized anode patterns in arc discharge simulations

International Nuclear Information System (INIS)

Trelles, Juan Pablo

2013-01-01

Pattern formation and self-organization are phenomena commonly observed experimentally in diverse types of plasma systems, including atmospheric-pressure electric arc discharges. However, numerical simulations reproducing anode pattern formation in arc discharges have proven exceedingly elusive. Time-dependent three-dimensional thermodynamic non-equilibrium simulations reveal the spontaneous formation of self-organized patterns of anode attachment spots in the free-burning arc, a canonical thermal plasma flow established by a constant dc current between an axi-symmetric electrode configuration in the absence of external forcing. The number of spots, their size and distribution within the pattern depend on the applied total current and on the resolution of the spatial discretization, whereas the main properties of the plasma flow, such as maximum temperatures, velocity and voltage drop, depend only on the former. The sensibility of the solution to the spatial discretization stresses the computational requirements for comprehensive arc discharge simulations. The obtained anode patterns qualitatively agree with experimental observations and confirm that the spots originate at the fringes of the arc–anode attachment. The results imply that heavy-species–electron energy equilibration, in addition to thermal instability, has a dominant role in the formation of anode spots in arc discharges. (paper)

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)

Numerical simulation of baseflow modification due to effects of ...

African Journals Online (AJOL)

Numerical simulation of baseflow modification due to effects of sediment yield. ... Physically-based mathematical modelling affords the opportunity to look at this kind of interaction, which should be simulated by deterministic responses of both water and fluvial processes. In addition to simulating the streamflow and ...

Numerical Simulation of Cylindrical Solitary Waves in Periodic Media

KAUST Repository

Quezada de Luna, Manuel; Ketcheson, David I.

2013-01-01

We study the behavior of nonlinear waves in a two-dimensional medium with density and stress relation that vary periodically in space. Efficient approximate Riemann solvers are developed for the corresponding variable-coefficient first-order hyperbolic system. We present direct numerical simulations of this multiscale problem, focused on the propagation of a single localized perturbation in media with strongly varying impedance. For the conditions studied, we find little evidence of shock formation. Instead, solutions consist primarily of solitary waves. These solitary waves are observed to be stable over long times and to interact in a manner approximately like solitons. The system considered has no dispersive terms; these solitary waves arise due to the material heterogeneity, which leads to strong reflections and effective dispersion.

Numerical Simulation of Cylindrical Solitary Waves in Periodic Media

KAUST Repository

Quezada de Luna, Manuel

2013-07-14

We study the behavior of nonlinear waves in a two-dimensional medium with density and stress relation that vary periodically in space. Efficient approximate Riemann solvers are developed for the corresponding variable-coefficient first-order hyperbolic system. We present direct numerical simulations of this multiscale problem, focused on the propagation of a single localized perturbation in media with strongly varying impedance. For the conditions studied, we find little evidence of shock formation. Instead, solutions consist primarily of solitary waves. These solitary waves are observed to be stable over long times and to interact in a manner approximately like solitons. The system considered has no dispersive terms; these solitary waves arise due to the material heterogeneity, which leads to strong reflections and effective dispersion.

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

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)

Spectral Methods in Numerical Plasma Simulation

DEFF Research Database (Denmark)

Coutsias, E.A.; Hansen, F.R.; Huld, T.

1989-01-01

An introduction is given to the use of spectral methods in numerical plasma simulation. As examples of the use of spectral methods, solutions to the two-dimensional Euler equations in both a simple, doubly periodic region, and on an annulus will be shown. In the first case, the solution is expanded...

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.

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.)

Mathematical modeling and numerical simulation of Czochralski Crystal Growth

Energy Technology Data Exchange (ETDEWEB)

Jaervinen, J.; Nieminen, R. [Center for Scientific Computing, Espoo (Finland)

1996-12-31

A detailed mathematical model and numerical simulation tools based on the SUPG Finite Element Method for the Czochralski crystal growth has been developed. In this presentation the mathematical modeling and numerical simulation of the melt flow and the temperature distribution in a rotationally symmetric crystal growth environment is investigated. The temperature distribution and the position of the free boundary between the solid and liquid phases are solved by using the Enthalpy method. Heat inside of the Czochralski furnace is transferred by radiation, conduction and convection. The melt flow is governed by the incompressible Navier-Stokes equations coupled with the enthalpy equation. The melt flow is numerically demonstrated and the temperature distribution in the whole Czochralski furnace. (author)

Mathematical modeling and numerical simulation of Czochralski Crystal Growth

Energy Technology Data Exchange (ETDEWEB)

Jaervinen, J; Nieminen, R [Center for Scientific Computing, Espoo (Finland)

1997-12-31

A detailed mathematical model and numerical simulation tools based on the SUPG Finite Element Method for the Czochralski crystal growth has been developed. In this presentation the mathematical modeling and numerical simulation of the melt flow and the temperature distribution in a rotationally symmetric crystal growth environment is investigated. The temperature distribution and the position of the free boundary between the solid and liquid phases are solved by using the Enthalpy method. Heat inside of the Czochralski furnace is transferred by radiation, conduction and convection. The melt flow is governed by the incompressible Navier-Stokes equations coupled with the enthalpy equation. The melt flow is numerically demonstrated and the temperature distribution in the whole Czochralski furnace. (author)

Numerical simulation of random stresses on an annular turbulent flow

International Nuclear Information System (INIS)

Marti-Moreno, Marta

2000-01-01

The flow along a circular cylinder may induce structural vibrations. For the predictive analysis of such vibrations, the turbulent forcing spectrum needs to be characterized. The aim of this work is to study the turbulent fluid forces acting on a single tube in axial flow. More precisely we have performed numerical simulations of an annular flow. These simulations were carried out on a cylindrical staggered mesh by a finite difference method. We consider turbulent flow with Reynolds number up to 10 6 . The Large Eddy Simulation Method has been used. A survey of existent experiments showed that hydraulic diameter acts as an important parameter. We first showed the accuracy of the numerical code by reproducing the experiments of Mulcahy. The agreement between pressure spectra from computations and from experiments is good. Then, we applied this code to simulate new numerical experiments varying the hydraulic diameter and the flow velocity. (author) [fr

Transient productivity index for numerical well test simulations

Energy Technology Data Exchange (ETDEWEB)

Blanc, G.; Ding, D.Y.; Ene, A. [Institut Francais du Petrole, Pau (France)] [and others

1997-08-01

The most difficult aspect of numerical simulation of well tests is the treatment of the Bottom Hole Flowing (BHF) Pressure. In full field simulations, this pressure is derived from the Well-block Pressure (WBP) using a numerical productivity index which accounts for the grid size and permeability, and for the well completion. This productivity index is calculated assuming a pseudo-steady state flow regime in the vicinity of the well and is therefore constant during the well production period. Such a pseudo-steady state assumption is no longer valid for the early time of a well test simulation as long as the pressure perturbation has not reached several grid-blocks around the well. This paper offers two different solutions to this problem: (1) The first one is based on the derivation of a Numerical Transient Productivity Index (NTPI) to be applied to Cartesian grids; (2) The second one is based on the use of a Corrected Transmissibility and Accumulation Term (CTAT) in the flow equation. The representation of the pressure behavior given by both solutions is far more accurate than the conventional one as shown by several validation examples which are presented in the following pages.

Dislocation dynamics simulations in a cylinder

International Nuclear Information System (INIS)

Weinberger, Christopher R; Aubry, Sylvie; Cai, Wei; Lee, Seok-Woo

2009-01-01

In this work we describe how to perform dislocation dynamics simulations in a cylindrical geometry. An algorithm for computing the image stress is given in detail including methods for handling the singularity. Additional remesh rules address the problems of the cylindrical geometry and the required self consistency with mobility laws. Numerical studies benchmark the accuracy of the algorithms and the importance of handling the singularity correctly.

Numerical Simulation of Freak Waves Based on the Four-Order Nonlinear Schr(o)dinger Equation

Institute of Scientific and Technical Information of China (English)

ZHANG Yun-qiu; ZHANG Ning-chuan; PEI Yu-guo

2007-01-01

A numerical wave model based on the modified four-order nonlinear Schrodinger (NLS) equation in deep water is developed to simulate freak waves. A standard split-step, pseudo-spectral method is used to solve NLS equation. The validation of the model is firstly verified, and then the simulation of freak waves is performed by changing sideband conditions. Results show that freak waves entirely consistent with the definition in the evolution of wave trains are obtained. The possible occurrence mechanism of freak waves is discussed and the relevant characteristics are also analyzed.

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...

Direct Numerical Simulation and Visualization of Subcooled Pool Boiling

Directory of Open Access Journals (Sweden)

Tomoaki Kunugi

2014-01-01

Full Text Available A direct numerical simulation of the boiling phenomena is one of the promising approaches in order to clarify their heat transfer characteristics and discuss the mechanism. During these decades, many DNS procedures have been developed according to the recent high performance computers and computational technologies. In this paper, the state of the art of direct numerical simulation of the pool boiling phenomena during mostly two decades is briefly summarized at first, and then the nonempirical boiling and condensation model proposed by the authors is introduced into the MARS (MultiInterface Advection and Reconstruction Solver developed by the authors. On the other hand, in order to clarify the boiling bubble behaviors under the subcooled conditions, the subcooled pool boiling experiments are also performed by using a high speed and high spatial resolution camera with a highly magnified telescope. Resulting from the numerical simulations of the subcooled pool boiling phenomena, the numerical results obtained by the MARS are validated by being compared to the experimental ones and the existing analytical solutions. The numerical results regarding the time evolution of the boiling bubble departure process under the subcooled conditions show a very good agreement with the experimental results. In conclusion, it can be said that the proposed nonempirical boiling and condensation model combined with the MARS has been validated.

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

Direct numerical simulations of premixed turbulent flames with flamelet-generated manifolds

NARCIS (Netherlands)

Oijen, van J.A.; Bastiaans, R.J.M.; Goey, de L.P.H.

2005-01-01

Direct numerical simulation is a very powerful tool to evaluate the validity of new models and theories for turbulent combustion. In this paper, direct numerical simulations of spherically expanding premixed turbulent flames in the thin reaction zone regime and in the broken reaction zone regime are

Method for numerical simulation of two-term exponentially correlated colored noise

International Nuclear Information System (INIS)

Yilmaz, B.; Ayik, S.; Abe, Y.; Gokalp, A.; Yilmaz, O.

2006-01-01

A method for numerical simulation of two-term exponentially correlated colored noise is proposed. The method is an extension of traditional method for one-term exponentially correlated colored noise. The validity of the algorithm is tested by comparing numerical simulations with analytical results in two physical applications

Numerical simulation of the generation of electrostatic turbulence in the magnetotail

International Nuclear Information System (INIS)

Swift, D.W.

1981-01-01

A two-dimensional plasma model is used to investigate the development of electrostatic turbulence in a magnetized plasma from plasma instabilities. The simulation consists of following the motion of 10 5 ions in their self-consistent electrostatic field. The electrons are treated as a constant neutralizing background. The instabilities modeled are driven by a ring-type velocity distribution and by interpenetrating ion beams in a time variable magnetic field. Instability growth times are the order of an ion gyroperiod in the case of the ring distribution and of the order of an ion plasma period in the case of the beam simulation. Maximum potential differences generated are of the order of the ion kinetic energies. These simulations demonstrate the cascade of wave energy to long wavelengths, thus showing that E x B turbulence can be generated from plasma microinstabilities. After the free energy feeding, the instabilities are exhausted, and wave energy at wavelengths less than an ion gyrodiameter decays quickly to equilibrium levels, while longer wavelength modes persist for much longer times. In one model with a time dependent, but spatially uniform, magnetic field, the electric field energy at long wavelengths appeared to increase as a result of the increase of the magnetic field

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.

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)

A multiscale numerical algorithm for heat transfer simulation between multidimensional CFD and monodimensional system codes

Science.gov (United States)

Chierici, A.; Chirco, L.; Da Vià, R.; Manservisi, S.; Scardovelli, R.

2017-11-01

Nowadays the rapidly-increasing computational power allows scientists and engineers to perform numerical simulations of complex systems that can involve many scales and several different physical phenomena. In order to perform such simulations, two main strategies can be adopted: one may develop a new numerical code where all the physical phenomena of interest are modelled or one may couple existing validated codes. With the latter option, the creation of a huge and complex numerical code is avoided but efficient methods for data exchange are required since the performance of the simulation is highly influenced by its coupling techniques. In this work we propose a new algorithm that can be used for volume and/or boundary coupling purposes for both multiscale and multiphysics numerical simulations. The proposed algorithm is used for a multiscale simulation involving several CFD domains and monodimensional loops. We adopt the overlapping domain strategy, so the entire flow domain is simulated with the system code. We correct the system code solution by matching averaged inlet and outlet fields located at the boundaries of the CFD domains that overlap parts of the monodimensional loop. In particular we correct pressure losses and enthalpy values with source-sink terms that are imposed in the system code equations. The 1D-CFD coupling is a defective one since the CFD code requires point-wise values on the coupling interfaces and the system code provides only averaged quantities. In particular we impose, as inlet boundary conditions for the CFD domains, the mass flux and the mean enthalpy that are calculated by the system code. With this method the mass balance is preserved at every time step of the simulation. The coupling between consecutive CFD domains is not a defective one since with the proposed algorithm we can interpolate the field solutions on the boundary interfaces. We use the MED data structure as the base structure where all the field operations are

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.

Perceived state of self during motion can differentially modulate numerical magnitude allocation.

Science.gov (United States)

Arshad, Q; Nigmatullina, Y; Roberts, R E; Goga, U; Pikovsky, M; Khan, S; Lobo, R; Flury, A-S; Pettorossi, V E; Cohen-Kadosh, R; Malhotra, P A; Bronstein, A M

2016-09-01

Although a direct relationship between numerical allocation and spatial attention has been proposed, recent research suggests that these processes are not directly coupled. In keeping with this, spatial attention shifts induced either via visual or vestibular motion can modulate numerical allocation in some circumstances but not in others. In addition to shifting spatial attention, visual or vestibular motion paradigms also (i) elicit compensatory eye movements which themselves can influence numerical processing and (ii) alter the perceptual state of 'self', inducing changes in bodily self-consciousness impacting upon cognitive mechanisms. Thus, the precise mechanism by which motion modulates numerical allocation remains unknown. We sought to investigate the influence that different perceptual experiences of motion have upon numerical magnitude allocation while controlling for both eye movements and task-related effects. We first used optokinetic visual motion stimulation (OKS) to elicit the perceptual experience of either 'visual world' or 'self'-motion during which eye movements were identical. In a second experiment, we used a vestibular protocol examining the effects of perceived and subliminal angular rotations in darkness, which also provoked identical eye movements. We observed that during the perceptual experience of 'visual world' motion, rightward OKS-biased judgments towards smaller numbers, whereas leftward OKS-biased judgments towards larger numbers. During the perceptual experience of 'self-motion', judgments were biased towards larger numbers irrespective of the OKS direction. Contrastingly, vestibular motion perception was found not to modulate numerical magnitude allocation, nor was there any differential modulation when comparing 'perceived' vs. 'subliminal' rotations. We provide a novel demonstration that numerical magnitude allocation can be differentially modulated by the perceptual state of self during visual but not vestibular mediated motion

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.

Numerical Simulation of a Tornado Generating Supercell

Science.gov (United States)

Proctor, Fred H.; Ahmad, Nashat N.; LimonDuparcmeur, Fanny M.

2012-01-01

The development of tornadoes from a tornado generating supercell is investigated with a large eddy simulation weather model. Numerical simulations are initialized with a sounding representing the environment of a tornado producing supercell that affected North Carolina and Virginia during the Spring of 2011. The structure of the simulated storm was very similar to that of a classic supercell, and compared favorably to the storm that affected the vicinity of Raleigh, North Carolina. The presence of mid-level moisture was found to be important in determining whether a supercell would generate tornadoes. The simulations generated multiple tornadoes, including cyclonic-anticyclonic pairs. The structure and the evolution of these tornadoes are examined during their lifecycle.

Numerical simulation on multi-peak magnetic field configuration for negative hydrogen ion source

International Nuclear Information System (INIS)

Wang Xiaomin; Yang Chao; Liu Dagang; Wang Xueqiong

2011-01-01

Based on the magnetic charge model, the numerical algorithm of three-dimensional permanent magnets was derived by the finite difference method. Then combining the full three-dimensional particle-in-cell/Monte Carlo algorithm (PIC/MCC), two multi-peak magnetic field configurations, external magnetic filter and tent-shaped filter, were analyzed respectively, and their influences on electron energy distribution were compared. The simulation results show that both configurations can confine the diffusion of particles and can extract negative hydrogen ions; their electron energy distributions are basically similar, presenting double energy state, which are consistent with the basic mechanism of plasma discharge. The former configuration is stronger in confining and can produce more particles, whose total number is approximately four times that of the latter. The tent-shaped magnetic filter can efficiently prevent electron drift caused by inhomogeneous longitudinal magnetic field, leading to more uniform spatial distribution of negative hydrogen ions. The results of simulation are consistent with those from the foreign experiment. (authors)

Numerical Simulation of Airfoil Aerodynamic Penalties and Mechanisms in Heavy Rain

Directory of Open Access Journals (Sweden)

Zhenlong Wu

2013-01-01

Full Text Available Numerical simulations that are conducted on a transport-type airfoil, NACA 64-210, at a Reynolds number of 2.6×106 and LWC of 25 g/m3 explore the aerodynamic penalties and mechanisms that affect airfoil performance in heavy rain conditions. Our simulation results agree well with the experimental data and show significant aerodynamic penalties for the airfoil in heavy rain. The maximum percentage decrease in CL is reached by 13.2% and the maximum percentage increase in CD by 47.6%. Performance degradation in heavy rain at low angles of attack is emulated by an originally creative boundary-layer-tripped technique near the leading edge. Numerical flow visualization technique is used to show premature boundary-layer separation at high angles of attack and the particulate trajectories at various angles of attack. A mathematic model is established to qualitatively study the water film effect on the airfoil geometric changes. All above efforts indicate that two primary mechanisms are accountable for the airfoil aerodynamic penalties. One is to cause premature boundary-layer transition at low AOA and separation at high AOA. The other occurs at times scales consistent with the water film layer, which is thought to alter the airfoil geometry and increase the mass effectively.

Simple Numerical Simulation of Strain Measurement

Science.gov (United States)

Tai, H.

2002-01-01

By adopting the basic principle of the reflection (and transmission) of a plane polarized electromagnetic wave incident normal to a stack of films of alternating refractive index, a simple numerical code was written to simulate the maximum reflectivity (transmittivity) of a fiber optic Bragg grating corresponding to various non-uniform strain conditions including photo-elastic effect in certain cases.

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.

Numerical simulation for debris bed behavior in sodium cooled fast reactor

International Nuclear Information System (INIS)

Tagami, Hirotaka; Tobita, Yoshiharu

2014-01-01

For safety analysis of SFR, it is necessary to evaluate behavior along with coolability of debris bed in lower plenum which is formed in severe accident. In order to analyze debris behavior, model for dense sediment particles behavior was proposed and installed in SFR safety analysis code SIMMER. SIMMER code could adequately reproduce experimental results simulating the self-leveling phenomena with appropriate model parameters for bed stiffness. In reactor condition, the self-leveling experiment for prototypical debris bed has not been performed. Additionally, the prototypical debris bed consists of non-spherical particles and it is difficult to quantify model parameters. This situation brings sensitivity analysis to investigate effect of model parameters on the self-leveling phenomena of prototypical debris bed in present paper. As initial condition for sensitivity analysis, simple mound-like debris bed in sodium-filled lower plenum in reactor vessel is considered. The bed consists of the mixture of fuel debris of 3,300 kg and steel debris of 1,570 kg. Decay heat is given to this fuel debris. The model parameter is chosen as sensitivity parameter. Sensitivity analysis shows that the model parameters can effect on intensity of self-leveling phenomena and eventual flatness of bed. In all analyses, however, coolant and sodium vapor break the debris bed at mainly center part of bed and the debris is relocated to outside of bed. Through this process, the initial debris bed is almost planarized before re-melting of debris. This result shows that the model parameters affect the self-leveling phenomena, but its effect in the safety analysis of SFRs is limited. (author)

Numerical simulation of swirling flow in complex hydroturbine draft tube using unsteady statistical turbulence models

Energy Technology Data Exchange (ETDEWEB)

Paik, Joongcheol [University of Minnesota; Sotiropoulos, Fotis [University of Minnesota; Sale, Michael J [ORNL

2005-06-01

A numerical method is developed for carrying out unsteady Reynolds-averaged Navier-Stokes (URANS) simulations and detached-eddy simulations (DESs) in complex 3D geometries. The method is applied to simulate incompressible swirling flow in a typical hydroturbine draft tube, which consists of a strongly curved 90 degree elbow and two piers. The governing equations are solved with a second-order-accurate, finite-volume, dual-time-stepping artificial compressibility approach for a Reynolds number of 1.1 million on a mesh with 1.8 million nodes. The geometrical complexities of the draft tube are handled using domain decomposition with overset (chimera) grids. Numerical simulations show that unsteady statistical turbulence models can capture very complex 3D flow phenomena dominated by geometry-induced, large-scale instabilities and unsteady coherent structures such as the onset of vortex breakdown and the formation of the unsteady rope vortex downstream of the turbine runner. Both URANS and DES appear to yield the general shape and magnitude of mean velocity profiles in reasonable agreement with measurements. Significant discrepancies among the DES and URANS predictions of the turbulence statistics are also observed in the straight downstream diffuser.

GALAXY FORMATION WITH SELF-CONSISTENTLY MODELED STARS AND MASSIVE BLACK HOLES. I. FEEDBACK-REGULATED STAR FORMATION AND BLACK HOLE GROWTH

International Nuclear Information System (INIS)

Kim, Ji-hoon; Abel, Tom; Wise, John H.; Alvarez, Marcelo A.

2011-01-01

There is mounting evidence for the coevolution of galaxies and their embedded massive black holes (MBHs) in a hierarchical structure formation paradigm. To tackle the nonlinear processes of galaxy-MBH interaction, we describe a self-consistent numerical framework which incorporates both galaxies and MBHs. The high-resolution adaptive mesh refinement (AMR) code Enzo is modified to model the formation and feedback of molecular clouds at their characteristic scale of 15.2 pc and the accretion of gas onto an MBH. Two major channels of MBH feedback, radiative feedback (X-ray photons followed through full three-dimensional adaptive ray tracing) and mechanical feedback (bipolar jets resolved in high-resolution AMR), are employed. We investigate the coevolution of a 9.2 x 10 11 M sun galactic halo and its 10 5 M sun embedded MBH at redshift 3 in a cosmological ΛCDM simulation. The MBH feedback heats the surrounding interstellar medium (ISM) up to 10 6 K through photoionization and Compton heating and locally suppresses star formation in the galactic inner core. The feedback considerably changes the stellar distribution there. This new channel of feedback from a slowly growing MBH is particularly interesting because it is only locally dominant and does not require the heating of gas globally on the disk. The MBH also self-regulates its growth by keeping the surrounding ISM hot for an extended period of time.

Numerical Simulation of In Situ Combustion of Oil Shale

Directory of Open Access Journals (Sweden)

Huan Zheng

2017-01-01

Full Text Available This paper analyzes the process of in situ combustion of oil shale, taking into account the transport and chemical reaction of various components in porous reservoirs. The physical model is presented, including the mass and energy conservation equations and Darcy’s law. The oxidation reactions of oil shale combustion are expressed by adding source terms in the conservation equations. The reaction rate of oxidation satisfies the Arrhenius law. A numerical method is established for calculating in situ combustion, which is simulated numerically, and the results are compared with the available experiment. The profiles of temperature and volume fraction of a few components are presented. The temperature contours show the temperature variation in the combustion tube. It is found that as combustion reaction occurs in the tube, the concentration of oxygen decreases rapidly, while the concentration of carbon dioxide and carbon monoxide increases contrarily. Besides, the combustion front velocity is consistent with the experimental value. Effects of gas injection rate, permeability of the reservoir, initial oil content, and injected oxygen content on the ISC process were investigated in this study. Varying gas injection rate and oxygen content is important in the field test of ISC.

Concatenating algorithms for parallel numerical simulations coupling radiation hydrodynamics with neutron transport

International Nuclear Information System (INIS)

Mo Zeyao

2004-11-01

Multiphysics parallel numerical simulations are usually essential to simplify researches on complex physical phenomena in which several physics are tightly coupled. It is very important on how to concatenate those coupled physics for fully scalable parallel simulation. Meanwhile, three objectives should be balanced, the first is efficient data transfer among simulations, the second and the third are efficient parallel executions and simultaneously developments of those simulation codes. Two concatenating algorithms for multiphysics parallel numerical simulations coupling radiation hydrodynamics with neutron transport on unstructured grid are presented. The first algorithm, Fully Loosely Concatenation (FLC), focuses on the independence of code development and the independence running with optimal performance of code. The second algorithm. Two Level Tightly Concatenation (TLTC), focuses on the optimal tradeoffs among above three objectives. Theoretical analyses for communicational complexity and parallel numerical experiments on hundreds of processors on two parallel machines have showed that these two algorithms are efficient and can be generalized to other multiphysics parallel numerical simulations. In especial, algorithm TLTC is linearly scalable and has achieved the optimal parallel performance. (authors)

Numerical evaluation of high energy particle effects in magnetohydrodynamics

International Nuclear Information System (INIS)

White, R.B.; Wu, Y.

1994-03-01

The interaction of high energy ions with magnetohydrodynamic modes is analyzed. A numerical code is developed which evaluates the contribution of the high energy particles to mode stability using orbit averaging of motion in either analytic or numerically generated equilibria through Hamiltonian guiding center equations. A dispersion relation is then used to evaluate the effect of the particles on the linear mode. Generic behavior of the solutions of the dispersion relation is discussed and dominant contributions of different components of the particle distribution function are identified. Numerical convergence of Monte-Carlo simulations is analyzed. The resulting code ORBIT provides an accurate means of comparing experimental results with the predictions of kinetic magnetohydrodynamics. The method can be extended to include self consistent modification of the particle orbits by the mode, and hence the full nonlinear dynamics of the coupled system

Cell light scattering characteristic numerical simulation research based on FDTD algorithm

Science.gov (United States)

Lin, Xiaogang; Wan, Nan; Zhu, Hao; Weng, Lingdong

2017-01-01

In this study, finite-difference time-domain (FDTD) algorithm has been used to work out the cell light scattering problem. Before beginning to do the simulation contrast, finding out the changes or the differences between normal cells and abnormal cells which may be cancerous or maldevelopment is necessary. The preparation of simulation are building up the simple cell model of cell which consists of organelles, nucleus and cytoplasm and setting up the suitable precision of mesh. Meanwhile, setting up the total field scattering field source as the excitation source and far field projection analysis group is also important. Every step need to be explained by the principles of mathematic such as the numerical dispersion, perfect matched layer boundary condition and near-far field extrapolation. The consequences of simulation indicated that the position of nucleus changed will increase the back scattering intensity and the significant difference on the peak value of scattering intensity may result from the changes of the size of cytoplasm. The study may help us find out the regulations based on the simulation consequences and the regulations can be meaningful for early diagnosis of cancers.

Reduced-Order Direct Numerical Simulation of Solute Transport in Porous Media

Science.gov (United States)

Mehmani, Yashar; Tchelepi, Hamdi

2017-11-01

Pore-scale models are an important tool for analyzing fluid dynamics in porous materials (e.g., rocks, soils, fuel cells). Current direct numerical simulation (DNS) techniques, while very accurate, are computationally prohibitive for sample sizes that are statistically representative of the porous structure. Reduced-order approaches such as pore-network models (PNM) aim to approximate the pore-space geometry and physics to remedy this problem. Predictions from current techniques, however, have not always been successful. This work focuses on single-phase transport of a passive solute under advection-dominated regimes and delineates the minimum set of approximations that consistently produce accurate PNM predictions. Novel network extraction (discretization) and particle simulation techniques are developed and compared to high-fidelity DNS simulations for a wide range of micromodel heterogeneities and a single sphere pack. Moreover, common modeling assumptions in the literature are analyzed and shown that they can lead to first-order errors under advection-dominated regimes. This work has implications for optimizing material design and operations in manufactured (electrodes) and natural (rocks) porous media pertaining to energy systems. This work was supported by the Stanford University Petroleum Research Institute for Reservoir Simulation (SUPRI-B).

Numerical algorithms based on Galerkin methods for the modeling of reactive interfaces in photoelectrochemical (PEC) solar cells

Science.gov (United States)

Harmon, Michael; Gamba, Irene M.; Ren, Kui

2016-12-01

This work concerns the numerical solution of a coupled system of self-consistent reaction-drift-diffusion-Poisson equations that describes the macroscopic dynamics of charge transport in photoelectrochemical (PEC) solar cells with reactive semiconductor and electrolyte interfaces. We present three numerical algorithms, mainly based on a mixed finite element and a local discontinuous Galerkin method for spatial discretization, with carefully chosen numerical fluxes, and implicit-explicit time stepping techniques, for solving the time-dependent nonlinear systems of partial differential equations. We perform computational simulations under various model parameters to demonstrate the performance of the proposed numerical algorithms as well as the impact of these parameters on the solution to the model.

Numerical simulations of fast ion loss measurements induced by magnetic islands in the ASDEX Upgrade tokamak

International Nuclear Information System (INIS)

Gobbin, M.; Marrelli, L.; Martin, P.; Fahrbach, H.U.; Garcia-Munoz, M.; Guenter, S.; White, R.B.

2009-01-01

A test particle approach, implemented with the Hamiltonian code ORBIT, is used to simulate measurements of fast ion losses induced by magnetic islands in the ASDEX Upgrade tokamak. In particular, the numerical simulations reproduce the toroidal localization of losses and the lost ions pitch angle and energy distribution experimentally measured with the fast ion losses detector (FILD) in the presence of a neoclassical tearing mode (NTM). The simulated NTM induced losses occurring on time scales longer than 100 μs are composed of mainly trapped or barely passing particles, consistently with the slow decay of the experimental signal from one FILD channel after the beam switch-off. The numerical simulations have been performed by taking into account the D-shaped plasma geometry, the collision mechanisms, the losses due to ripple effects and the rotation of the mode. The radial profile of the magnetic perturbation is adjusted in order to match ECE measurements. While statistical properties of FILD measurements are rather well reproduced, the simulated total amount of losses is found to be significantly affected by edge details of the magnetic perturbation as it determines the loss mechanism.

Numerical simulation of gasket behaviour during severe accidents (ATHERMIP project)

International Nuclear Information System (INIS)

Castro Lopez, Fernando; Orden Martinez, Alfredo

1998-01-01

This paper summarises the work carried out to numerically simulate the thermo-mechanical behaviour of sealing gasket in large containment penetrations during a severe accident. The gasket material is an elastomeric material and the thermo-mechanical characterization was based on experimentation. The difficulty of numerical simulation lies in the high non-linearity of the analysis, due on one hand, to the high strain levels reached, and on the other, to stiffness changes introduced by contact/takeoff indicators. Also, the stiffness parameters of the gasket material are not constant, but are subject to changes, both regarding the strain level and the environmental conditions (temperature, radiation). The results obtained allow presenting a calculation model capable of simulating and explaining the behaviour of the sealing gasket during a severe accident. Also, the failure hypothesis numerically obtained was environmentally validated. (author)

On the Simulation of the Interception of Lightning Dart Leaders

OpenAIRE

Long, Mengni; Becerra, Marley; Thottappillil, Rajeev

2015-01-01

This paper presents the numerical evaluation of the propagation of positive upward connecting leaders under the influence of lightning dart leaders. The simulation is performed with the self-consistent leader inception and propagation model - SLIM-. An analytical expression is derived for calculating the charge per unit length required to thermalize a new upward leader segment. The simulation is validated with two dart leader attachment events in a lightning triggering experiment reported in ...

A calculation method for RF couplers design based on numerical simulation by microwave studio

International Nuclear Information System (INIS)

Wang Rong; Pei Yuanji; Jin Kai

2006-01-01

A numerical simulation method for coupler design is proposed. It is based on the matching procedure for the 2π/3 structure given by Dr. R.L. Kyhl. Microwave Studio EigenMode Solver is used for such numerical simulation. the simulation for a coupler has been finished with this method and the simulation data are compared with experimental measurements. The results show that this numerical simulation method is feasible for coupler design. (authors)

Large scale Direct Numerical Simulation of premixed turbulent jet flames at high Reynolds number

Science.gov (United States)

Attili, Antonio; Luca, Stefano; Lo Schiavo, Ermanno; Bisetti, Fabrizio; Creta, Francesco

2016-11-01

A set of direct numerical simulations of turbulent premixed jet flames at different Reynolds and Karlovitz numbers is presented. The simulations feature finite rate chemistry with 16 species and 73 reactions and up to 22 Billion grid points. The jet consists of a methane/air mixture with equivalence ratio ϕ = 0 . 7 and temperature varying between 500 and 800 K. The temperature and species concentrations in the coflow correspond to the equilibrium state of the burnt mixture. All the simulations are performed at 4 atm. The flame length, normalized by the jet width, decreases significantly as the Reynolds number increases. This is consistent with an increase of the turbulent flame speed due to the increased integral scale of turbulence. This behavior is typical of flames in the thin-reaction zone regime, which are affected by turbulent transport in the preheat layer. Fractal dimension and topology of the flame surface, statistics of temperature gradients, and flame structure are investigated and the dependence of these quantities on the Reynolds number is assessed.

Cosmic reionization on computers. I. Design and calibration of simulations

Energy Technology Data Exchange (ETDEWEB)

Gnedin, Nickolay Y., E-mail: gnedin@fnal.gov [Particle Astrophysics Center, Fermi National Accelerator Laboratory, Batavia, IL 60510 (United States)

2014-09-20

Cosmic Reionization On Computers is a long-term program of numerical simulations of cosmic reionization. Its goal is to model fully self-consistently (albeit not necessarily from the first principles) all relevant physics, from radiative transfer to gas dynamics and star formation, in simulation volumes of up to 100 comoving Mpc, and with spatial resolution approaching 100 pc in physical units. In this method paper, we describe our numerical method, the design of simulations, and the calibration of numerical parameters. Using several sets (ensembles) of simulations in 20 h {sup –1} Mpc and 40 h {sup –1} Mpc boxes with spatial resolution reaching 125 pc at z = 6, we are able to match the observed galaxy UV luminosity functions at all redshifts between 6 and 10, as well as obtain reasonable agreement with the observational measurements of the Gunn-Peterson optical depth at z < 6.

Numerical Simulations of Kinetic Alfvén Waves to Study Spectral ...

Indian Academy of Sciences (India)

Numerical Simulations of Kinetic Alfvén Waves to Study Spectral. Index in Solar Wind Turbulence and Particle Heating. R. P. Sharma. ∗. & H. D. Singh. Center for Energy Studies, Indian Institute of Technology, Delhi 110 016, India. ∗ e-mail: rpsharma@ces.iitd.ernet.in. Abstract. We present numerical simulations of the ...

Contributions to reinforced concrete structures numerical simulations

International Nuclear Information System (INIS)

Badel, P.B.

2001-07-01

In order to be able to carry out simulations of reinforced concrete structures, it is necessary to know two aspects: the behaviour laws have to reflect the complex behaviour of concrete and a numerical environment has to be developed in order to avoid to the user difficulties due to the softening nature of the behaviour. This work deals with these two subjects. After an accurate estimation of two behaviour models (micro-plan and mesoscopic models), two damage models (the first one using a scalar variable, the other one a tensorial damage of the 2 order) are proposed. These two models belong to the framework of generalized standard materials, which renders their numerical integration easy and efficient. A method of load control is developed in order to make easier the convergence of the calculations. At last, simulations of industrial structures illustrate the efficiency of the method. (O.M.)

NUMERICAL METHODS FOR THE SIMULATION OF HIGH INTENSITY HADRON SYNCHROTRONS.

Energy Technology Data Exchange (ETDEWEB)

LUCCIO, A.; D' IMPERIO, N.; MALITSKY, N.

2005-09-12

Numerical algorithms for PIC simulation of beam dynamics in a high intensity synchrotron on a parallel computer are presented. We introduce numerical solvers of the Laplace-Poisson equation in the presence of walls, and algorithms to compute tunes and twiss functions in the presence of space charge forces. The working code for the simulation here presented is SIMBAD, that can be run as stand alone or as part of the UAL (Unified Accelerator Libraries) package.

On the characteristics of a numerical fluid dynamics simulator

International Nuclear Information System (INIS)

Winkler, K.H.A.; Norman, M.L.; Norton, J.L.

1986-01-01

John von Neumann envisioned scientists and mathematicians analyzing and controlling their numerical experiments on nonlinear dynamic systems interactively. The authors describe their concept of a real-time Numerical Fluid Dynamics Simulator NFDS. The authors envision the NFDS to be composed of simulation processors, data storage devices, and image processing devices of extremely high power and capacity, interconnected by very high throughput communication channels. They present individual component performance requirements for both real-time and playback operating modes of the NFDS, using problems of current interest in fluid dynamics as examples. Scaling relations are derived showing the dependence of system requirements on the dimensionality and complexity of the numerical model. The authors conclude by extending their analysis to the system requirements posed in modeling the more involved physics of radiation hydrodynamics

Numerical simulation of gas metal arc welding parametrical study

International Nuclear Information System (INIS)

Szanto, M.; Gilad, I.; Shai, I.; Quinn, T.P.

2002-01-01

The Gas Metal Arc Welding (GMAW) is a widely used welding process in the industry. The process variables are usually determined through extensive experiments. Numerical simulation, reduce the cost and extends the understanding of the process. In the present work, a versatile model for numerical simulation of GMAW is presented. The model provides the basis for fundamental understanding of the process. The model solves the magneto-hydrodynamic equations for the flow and temperature fields of the molten electrode and the plasma simultaneously, to form a fully coupled model. A commercial CFD code was extended to include the effects of radiation, Lorentz forces, Joule heating and thermoelectric effects. The geometry of the numerical model assembled to fit an experimental apparatus. To demonstrate the method, an aluminum electrode was modeled in a pure argon arc. Material properties and welding parameters are the input variables in the numerical model. In a typical process, the temperature distribution of the plasma is over 15000 K, resulting high non-linearity of the material properties. Moreover, there is high uncertainty in the available property data, at that range of temperatures. Therefore, correction factors were derived for the material properties to adjust between the numerical and the experimental results. Using the compensated properties, parametric study was performed. The effects of the welding parameters on the process, such the working voltage, electrode feed rate and shielding gas flow, were derived. The principal result of the present work is the ability to predict, by numerical simulation, the mode, size and frequency of the metal transferred from the electrode, which is the main material and energy source for the welding pool in GMAW

NUMERICAL MODEL APPLICATION IN ROWING SIMULATOR DESIGN

Directory of Open Access Journals (Sweden)

Petr Chmátal

2016-04-01

Full Text Available The aim of the research was to carry out a hydraulic design of rowing/sculling and paddling simulator. Nowadays there are two main approaches in the simulator design. The first one includes a static water with no artificial movement and counts on specially cut oars to provide the same resistance in the water. The second approach, on the other hand uses pumps or similar devices to force the water to circulate but both of the designs share many problems. Such problems are affecting already built facilities and can be summarized as unrealistic feeling, unwanted turbulent flow and bad velocity profile. Therefore, the goal was to design a new rowing simulator that would provide nature-like conditions for the racers and provide an unmatched experience. In order to accomplish this challenge, it was decided to use in-depth numerical modeling to solve the hydraulic problems. The general measures for the design were taken in accordance with space availability of the simulator ́s housing. The entire research was coordinated with other stages of the construction using BIM. The detailed geometry was designed using a numerical model in Ansys Fluent and parametric auto-optimization tools which led to minimum negative hydraulic phenomena and decreased investment and operational costs due to the decreased hydraulic losses in the system.

Numerical Propulsion System Simulation (NPSS): An Award Winning Propulsion System Simulation Tool

Science.gov (United States)

Stauber, Laurel J.; Naiman, Cynthia G.

2002-01-01

The Numerical Propulsion System Simulation (NPSS) is a full propulsion system simulation tool used by aerospace engineers to predict and analyze the aerothermodynamic behavior of commercial jet aircraft, military applications, and space transportation. The NPSS framework was developed to support aerospace, but other applications are already leveraging the initial capabilities, such as aviation safety, ground-based power, and alternative energy conversion devices such as fuel cells. By using the framework and developing the necessary components, future applications that NPSS could support include nuclear power, water treatment, biomedicine, chemical processing, and marine propulsion. NPSS will dramatically reduce the time, effort, and expense necessary to design and test jet engines. It accomplishes that by generating sophisticated computer simulations of an aerospace object or system, thus enabling engineers to "test" various design options without having to conduct costly, time-consuming real-life tests. The ultimate goal of NPSS is to create a numerical "test cell" that enables engineers to create complete engine simulations overnight on cost-effective computing platforms. Using NPSS, engine designers will be able to analyze different parts of the engine simultaneously, perform different types of analysis simultaneously (e.g., aerodynamic and structural), and perform analysis in a more efficient and less costly manner. NPSS will cut the development time of a new engine in half, from 10 years to 5 years. And NPSS will have a similar effect on the cost of development: new jet engines will cost about a billion dollars to develop rather than two billion. NPSS is also being applied to the development of space transportation technologies, and it is expected that similar efficiencies and cost savings will result. Advancements of NPSS in fiscal year 2001 included enhancing the NPSS Developer's Kit to easily integrate external components of varying fidelities, providing

Numerical simulation of hydrogen-assisted crack initiation in austenitic-ferritic duplex steels; Numerische Simulation der wasserstoffunterstuetzten Rissbildung in austentisch-ferritischen Duplexstaehlen

Energy Technology Data Exchange (ETDEWEB)

Mente, Tobias

2015-07-01

Duplex stainless steels have been used for a long time in the offshore industry, since they have higher strength than conventional austenitic stainless steels and they exhibit a better ductility as well as an improved corrosion resistance in harsh environments compared to ferritic stainless steels. However, despite these good properties the literature shows some failure cases of duplex stainless steels in which hydrogen plays a crucial role for the cause of the damage. Numerical simulations can give a significant contribution in clarifying the damage mechanisms. Because they help to interpret experimental results as well as help to transfer results from laboratory tests to component tests and vice versa. So far, most numerical simulations of hydrogen-assisted material damage in duplex stainless steels were performed at the macroscopic scale. However, duplex stainless steels consist of approximately equal portions of austenite and δ-ferrite. Both phases have different mechanical properties as well as hydrogen transport properties. Thus, the sensitivity for hydrogen-assisted damage is different in both phases, too. Therefore, the objective of this research was to develop a numerical model of a duplex stainless steel microstructure enabling simulation of hydrogen transport, mechanical stresses and strains as well as crack initiation and propagation in both phases. Additionally, modern X-ray diffraction experiments were used in order to evaluate the influence of hydrogen on the phase specific mechanical properties. For the numerical simulation of the hydrogen transport it was shown, that hydrogen diffusion strongly depends on the alignment of austenite and δ-ferrite in the duplex stainless steel microstructure. Also, it was proven that the hydrogen transport is mainly realized by the ferritic phase and hydrogen is trapped in the austenitic phase. The numerical analysis of phase specific mechanical stresses and strains revealed that if the duplex stainless steel is

Numerical simulation of collision-free plasma using Vlasov hybrid simulation

International Nuclear Information System (INIS)

Nunn, D.

1990-01-01

A novel scheme for the numerical simulation of wave particle interactions in space plasmas has been developed. The method, termed VHS or Vlasov Hybrid Simulation, is applicable to hot collision free plasmas in which the unperturbed distribution functions is smooth and free of delta function singularities. The particle population is described as a continuous Vlasov fluid in phase space-granularity and collisional effects being ignored. In traditional PIC/CIC codes the charge/current due to each simulation particle is assigned to a fixed spatial grid. In the VHS method the simulation particles sample the Vlasov fluid and provide information about the value of distribution function (F(r,v) at random points in phase space. Values of F are interpolated from the simulation particles onto a fixed grid in velocity/position or phase space. With distribution function defined on a phase space grid the plasma charge/current field is quickly calculated. The simulation particles serve only to provide information, and thus the particle population may be dynamic. Particles no longer resonant with the wavefield may be discarded from the simulation, and new particles may be inserted into the Vlasov fluid where required

Can numerical simulations accurately predict hydrodynamic instabilities in liquid films?

Science.gov (United States)

Denner, Fabian; Charogiannis, Alexandros; Pradas, Marc; van Wachem, Berend G. M.; Markides, Christos N.; Kalliadasis, Serafim

2014-11-01

Understanding the dynamics of hydrodynamic instabilities in liquid film flows is an active field of research in fluid dynamics and non-linear science in general. Numerical simulations offer a powerful tool to study hydrodynamic instabilities in film flows and can provide deep insights into the underlying physical phenomena. However, the direct comparison of numerical results and experimental results is often hampered by several reasons. For instance, in numerical simulations the interface representation is problematic and the governing equations and boundary conditions may be oversimplified, whereas in experiments it is often difficult to extract accurate information on the fluid and its behavior, e.g. determine the fluid properties when the liquid contains particles for PIV measurements. In this contribution we present the latest results of our on-going, extensive study on hydrodynamic instabilities in liquid film flows, which includes direct numerical simulations, low-dimensional modelling as well as experiments. The major focus is on wave regimes, wave height and wave celerity as a function of Reynolds number and forcing frequency of a falling liquid film. Specific attention is paid to the differences in numerical and experimental results and the reasons for these differences. The authors are grateful to the EPSRC for their financial support (Grant EP/K008595/1).

Numerical Simulation of Transitional, Hypersonic Flows using a Hybrid Particle-Continuum Method

Science.gov (United States)

Verhoff, Ashley Marie

Analysis of hypersonic flows requires consideration of multiscale phenomena due to the range of flight regimes encountered, from rarefied conditions in the upper atmosphere to fully continuum flow at low altitudes. At transitional Knudsen numbers there are likely to be localized regions of strong thermodynamic nonequilibrium effects that invalidate the continuum assumptions of the Navier-Stokes equations. Accurate simulation of these regions, which include shock waves, boundary and shear layers, and low-density wakes, requires a kinetic theory-based approach where no prior assumptions are made regarding the molecular distribution function. Because of the nature of these types of flows, there is much to be gained in terms of both numerical efficiency and physical accuracy by developing hybrid particle-continuum simulation approaches. The focus of the present research effort is the continued development of the Modular Particle-Continuum (MPC) method, where the Navier-Stokes equations are solved numerically using computational fluid dynamics (CFD) techniques in regions of the flow field where continuum assumptions are valid, and the direct simulation Monte Carlo (DSMC) method is used where strong thermodynamic nonequilibrium effects are present. Numerical solutions of transitional, hypersonic flows are thus obtained with increased physical accuracy relative to CFD alone, and improved numerical efficiency is achieved in comparison to DSMC alone because this more computationally expensive method is restricted to those regions of the flow field where it is necessary to maintain physical accuracy. In this dissertation, a comprehensive assessment of the physical accuracy of the MPC method is performed, leading to the implementation of a non-vacuum supersonic outflow boundary condition in particle domains, and more consistent initialization of DSMC simulator particles along hybrid interfaces. The relative errors between MPC and full DSMC results are greatly reduced as a

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

International Nuclear Information System (INIS)

Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

2015-01-01

This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performing microcanonical excited state molecular dynamics with p-nitroaniline

Numerical simulation of the anomalous transport at the plasma-edge

International Nuclear Information System (INIS)

Pohn, E.

2001-03-01

In addition to the classical transport which is caused by Coloumb-collisions two further transport mechanisms take place in an inhomogeneous magnetically confined thermonuclear fusion-plasma, the neoclassical and the anomalous transport. The anomalous transport is caused by collective motion of the plasma-particles respectively turbulence and essentially affects the energy-confinement-time of the plasma. The energy-confinement-time in turn constitutes an important criterion with respect to the feasibility of using nuclear fusion for energy production. The anomalous transport is theoretically not yet well understood. By means of numerical simulations of the anomalous transport in the plasma edge, it is the intention of this work to contribute to the understanding of this transport mechanism. The Vlasov-Poisson-system constitutes the starting point for all performed simulations. This system consists of kinetic equations, which model for each particle-species the motion of the particles composing the plasma in six-dimensional phase-space. A coupling of these kinetic equations occurs due to the Poisson-equation, resulting in a nonlinear system of differential equations. The time evolution of this system was calculated numerically. On the one hand, simulations were performed where the whole velocity-space was retained. This fully-kinetic model was applied for the spatially one- as well as two-dimensional case. In the one-dimensional case only the radial direction of the plasma-edge was modeled, i.e. the direction along which the plasma joins to the vacuum. When performing the spatially two-dimensional simulations, in addition the poloidal direction has been regarded. A second set of simulations was performed using a gyro-kinetic model. In this model only the velocity-component parallel to the magnetic field vector is retained. The components perpendicular to the magnetic field vector, which are responsible for the gyration of particles, are omitted from phase-space but

Fluid Dynamics Theory, Computation, and Numerical Simulation

CERN Document Server

Pozrikidis, Constantine

2009-01-01

Fluid Dynamics: Theory, Computation, and Numerical Simulation is the only available book that extends the classical field of fluid dynamics into the realm of scientific computing in a way that is both comprehensive and accessible to the beginner. The theory of fluid dynamics, and the implementation of solution procedures into numerical algorithms, are discussed hand-in-hand and with reference to computer programming. This book is an accessible introduction to theoretical and computational fluid dynamics (CFD), written from a modern perspective that unifies theory and numerical practice. There are several additions and subject expansions in the Second Edition of Fluid Dynamics, including new Matlab and FORTRAN codes. Two distinguishing features of the discourse are: solution procedures and algorithms are developed immediately after problem formulations are presented, and numerical methods are introduced on a need-to-know basis and in increasing order of difficulty. Matlab codes are presented and discussed for ...

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....

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

Numerical Simulation of Polynomial-Speed Convergence Phenomenon

Science.gov (United States)

Li, Yao; Xu, Hui

2017-11-01

We provide a hybrid method that captures the polynomial speed of convergence and polynomial speed of mixing for Markov processes. The hybrid method that we introduce is based on the coupling technique and renewal theory. We propose to replace some estimates in classical results about the ergodicity of Markov processes by numerical simulations when the corresponding analytical proof is difficult. After that, all remaining conclusions can be derived from rigorous analysis. Then we apply our results to seek numerical justification for the ergodicity of two 1D microscopic heat conduction models. The mixing rate of these two models are expected to be polynomial but very difficult to prove. In both examples, our numerical results match the expected polynomial mixing rate well.

Numerical Relativity Simulations for Black Hole Merger Astrophysics

Science.gov (United States)

Baker, John G.

2010-01-01

Massive black hole mergers are perhaps the most energetic astronomical events, establishing their importance as gravitational wave sources for LISA, and also possibly leading to observable influences on their local environments. Advances in numerical relativity over the last five years have fueled the development of a rich physical understanding of general relativity's predictions for these events. Z will overview the understanding of these event emerging from numerical simulation studies. These simulations elucidate the pre-merger dynamics of the black hole binaries, the consequent gravitational waveform signatures ' and the resulting state, including its kick velocity, for the final black hole produced by the merger. Scenarios are now being considered for observing each of these aspects of the merger, involving both gravitational-wave and electromagnetic astronomy.

Numerical simulation of fire vortex

Science.gov (United States)

Barannikova, D. D.; Borzykh, V. E.; Obukhov, A. G.

2018-05-01

The article considers the numerical simulation of the swirling flow of air around the smoothly heated vertical cylindrical domain in the conditions of gravity and Coriolis forces action. The solutions of the complete system of Navie-Stocks equations are numerically solved at constant viscosity and heat conductivity factors. Along with the proposed initial and boundary conditions, these solutions describe the complex non-stationary 3D flows of viscous compressible heat conducting gas. For various instants of time of the initial flow formation stage using the explicit finite-difference scheme the calculations of all gas dynamics parameters, that is density, temperature, pressure and three velocity components of gas particles, have been run. The current instant lines corresponding to the trajectories of the particles movement in the emerging flow have been constructed. A negative direction of the air flow swirling occurred in the vertical cylindrical domain heating has been defined.

Experimental investigations and numerical simulations of methane cup-burner flame

Directory of Open Access Journals (Sweden)

Kubát P.

2013-04-01

Full Text Available Pulsation frequency of the cup-burner flame was determined by means of experimental investigations and numerical simulations. Simplified chemical kinetics was successfully implemented into a laminar fluid flow model applied to the complex burner geometry. Our methodical approach is based on the monitoring of flame emission, fast Fourier transformation and reproduction of measured spectral features by numerical simulations. Qualitative agreement between experimental and predicted oscillatory behaviour was obtained by employing a two-step methane oxidation scheme.

Numerical simulation of real-world flows

Energy Technology Data Exchange (ETDEWEB)

Hayase, Toshiyuki, E-mail: hayase@ifs.tohoku.ac.jp [Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai, 980-8577 (Japan)

2015-10-15

Obtaining real flow information is important in various fields, but is a difficult issue because measurement data are usually limited in time and space, and computational results usually do not represent the exact state of real flows. Problems inherent in the realization of numerical simulation of real-world flows include the difficulty in representing exact initial and boundary conditions and the difficulty in representing unstable flow characteristics. This article reviews studies dealing with these problems. First, an overview of basic flow measurement methodologies and measurement data interpolation/approximation techniques is presented. Then, studies on methods of integrating numerical simulation and measurement, namely, four-dimensional variational data assimilation (4D-Var), Kalman filters (KFs), state observers, etc are discussed. The first problem is properly solved by these integration methodologies. The second problem can be partially solved with 4D-Var in which only initial and boundary conditions are control parameters. If an appropriate control parameter capable of modifying the dynamical structure of the model is included in the formulation of 4D-Var, unstable modes are properly suppressed and the second problem is solved. The state observer and KFs also solve the second problem by modifying mathematical models to stabilize the unstable modes of the original dynamical system by applying feedback signals. These integration methodologies are now applied in simulation of real-world flows in a wide variety of research fields. Examples are presented for basic fluid dynamics and applications in meteorology, aerospace, medicine, etc. (topical review)

A Dynamic Operation Permission Technique Based on an MFM Model and Numerical Simulation

International Nuclear Information System (INIS)

Akio, Gofuku; Masahiro, Yonemura

2011-01-01

It is important to support operator activities to an abnormal plant situation where many counter actions are taken in relatively short time. The authors proposed a technique called dynamic operation permission to decrease human errors without eliminating creative idea of operators to cope with an abnormal plant situation by checking if the counter action taken is consistent with emergency operation procedure. If the counter action is inconsistent, a dynamic operation permission system warns it to operators. It also explains how and why the counter action is inconsistent and what influence will appear on the future plant behavior by a qualitative influence inference technique based on a model by the Mf (Multilevel Flow Modeling). However, the previous dynamic operation permission is not able to explain quantitative effects on plant future behavior. Moreover, many possible influence paths are derived because a qualitative reasoning does not give a solution when positive and negative influences are propagated to the same node. This study extends the dynamic operation permission by combining the qualitative reasoning and the numerical simulation technique. The qualitative reasoning based on an Mf model of plant derives all possible influence propagation paths. Then, a numerical simulation gives a prediction of plant future behavior in the case of taking a counter action. The influence propagation that does not coincide with the simulation results is excluded from possible influence paths. The extended technique is implemented in a dynamic operation permission system for an oil refinery plant. An MFM model and a static numerical simulator are developed. The results of dynamic operation permission for some abnormal plant situations show the improvement of the accuracy of dynamic operation permission and the quality of explanation for the effects of the counter action taken

Simulation of Wave Overtopping of Maritime Structures in a Numerical Wave Flume

Directory of Open Access Journals (Sweden)

Tiago C. A. Oliveira

2012-01-01

Full Text Available A numerical wave flume based on the particle finite element method (PFEM is applied to simulate wave overtopping for impermeable maritime structures. An assessment of the performance and robustness of the numerical wave flume is carried out for two different cases comparing numerical results with experimental data. In the first case, a well-defined benchmark test of a simple low-crested structure overtopped by regular nonbreaking waves is presented, tested in the lab, and simulated in the numerical wave flume. In the second case, state-of-the-art physical experiments of a trapezoidal structure placed on a sloping beach overtopped by regular breaking waves are simulated in the numerical wave flume. For both cases, main overtopping events are well detected by the numerical wave flume. However, nonlinear processes controlling the tests proposed, such as nonlinear wave generation, energy losses along the wave propagation track, wave reflection, and overtopping events, are reproduced with more accuracy in the first case. Results indicate that a numerical wave flume based on the PFEM can be applied as an efficient tool to supplement physical models, semiempirical formulations, and other numerical techniques to deal with overtopping of maritime structures.

Efficient Numerical Simulation of Aerothermoelastic Hypersonic Vehicles

Science.gov (United States)

Klock, Ryan J.

Hypersonic vehicles operate in a high-energy flight environment characterized by high dynamic pressures, high thermal loads, and non-equilibrium flow dynamics. This environment induces strong fluid, thermal, and structural dynamics interactions that are unique to this flight regime. If these vehicles are to be effectively designed and controlled, then a robust and intuitive understanding of each of these disciplines must be developed not only in isolation, but also when coupled. Limitations on scaling and the availability of adequate test facilities mean that physical investigation is infeasible. Ever growing computational power offers the ability to perform elaborate numerical simulations, but also has its own limitations. The state of the art in numerical simulation is either to create ever more high-fidelity physics models that do not couple well and require too much processing power to consider more than a few seconds of flight, or to use low-fidelity analytical models that can be tightly coupled and processed quickly, but do not represent realistic systems due to their simplifying assumptions. Reduced-order models offer a middle ground by distilling the dominant trends of high-fidelity training solutions into a form that can be quickly processed and more tightly coupled. This thesis presents a variably coupled, variable-fidelity, aerothermoelastic framework for the simulation and analysis of high-speed vehicle systems using analytical, reduced-order, and surrogate modeling techniques. Full launch-to-landing flights of complete vehicles are considered and used to define flight envelopes with aeroelastic, aerothermal, and thermoelastic limits, tune in-the-loop flight controllers, and inform future design considerations. A partitioned approach to vehicle simulation is considered in which regions dominated by particular combinations of processes are made separate from the overall solution and simulated by a specialized set of models to improve overall processing

Numerical simulation of the self-pumped long Josephson junction using a modified sine-Gordon model

International Nuclear Information System (INIS)

Sobolev, A.S.; Pankratov, A.L.; Mygind, J.

2006-01-01

We have numerically investigated the dynamics of a long Josephson junction (flux-flow oscillator) biased by a DC current in the presence of magnetic field. The study is performed in the frame of the modified sine-Gordon model, which includes the surface losses, RC-load at both FFO ends and the self-pumping effect. In our model the dumping parameter depends both on the spatial coordinate and the amplitude of the AC voltage. In order to find the DC FFO voltage the damping parameter has to be calculated by successive approximations and time integration of the perturbed sine-Gordon equation. The modified model, which accounts for the presence of the superconducting gap, gives better qualitative agreement with experimental results compare to the conventional sine-Gordon model

Efficient numerical simulation of heat storage in subsurface georeservoirs

Science.gov (United States)

Boockmeyer, A.; Bauer, S.

2015-12-01

The transition of the German energy market towards renewable energy sources, e.g. wind or solar power, requires energy storage technologies to compensate for their fluctuating production. Large amounts of energy could be stored in georeservoirs such as porous formations in the subsurface. One possibility here is to store heat with high temperatures of up to 90°C through borehole heat exchangers (BHEs) since more than 80 % of the total energy consumption in German households are used for heating and hot water supply. Within the ANGUS+ project potential environmental impacts of such heat storages are assessed and quantified. Numerical simulations are performed to predict storage capacities, storage cycle times, and induced effects. For simulation of these highly dynamic storage sites, detailed high-resolution models are required. We set up a model that accounts for all components of the BHE and verified it using experimental data. The model ensures accurate simulation results but also leads to large numerical meshes and thus high simulation times. In this work, we therefore present a numerical model for each type of BHE (single U, double U and coaxial) that reduces the number of elements and the simulation time significantly for use in larger scale simulations. The numerical model includes all BHE components and represents the temporal and spatial temperature distribution with an accuracy of less than 2% deviation from the fully discretized model. By changing the BHE geometry and using equivalent parameters, the simulation time is reduced by a factor of ~10 for single U-tube BHEs, ~20 for double U-tube BHEs and ~150 for coaxial BHEs. Results of a sensitivity study that quantify the effects of different design and storage formation parameters on temperature distribution and storage efficiency for heat storage using multiple BHEs are then shown. It is found that storage efficiency strongly depends on the number of BHEs composing the storage site, their distance and

Decoupled numerical simulation of a solid fuel fired retort boiler

International Nuclear Information System (INIS)

Ryfa, Arkadiusz; Buczynski, Rafal; Chabinski, Michal; Szlek, Andrzej; Bialecki, Ryszard A.

2014-01-01

The paper deals with numerical simulation of the retort boiler fired with solid fuel. Such constructions are very popular for heating systems and their development is mostly based on the designer experience. The simulations have been done in ANSYS/Fluent package and involved two numerical models. The former deals with a fixed-bed combustion of the solid fuel and free-board gas combustion. Solid fuel combustion is based on the coal kinetic parameters. This model encompasses chemical reactions, radiative heat transfer and turbulence. Coal properties have been defined with user defined functions. The latter model describes flow of water inside a water jacked that surrounds the combustion chamber and flue gas ducts. The novelty of the proposed approach is separating of the combustion simulation from the water flow. Such approach allows for reducing the number of degrees of freedom and thus lowering the necessary numerical effort. Decoupling combustion from water flow requires defining interface boundary condition. As this boundary condition is unknown it is adjusted iteratively. The results of the numerical simulation have been successfully validated against measurement data. - Highlights: • New decoupled modelling of small scale boiler is proposed. • Fixed-bed combustion model based on kinetic parameters is introduced. • Decoupling reduced the complexity of the model and computational time. • Simple and computationally inexpensive coupling algorithm is proposed. • Model is successfully validated against measurements

Numerical relativity simulations of precessing binary neutron star mergers

Science.gov (United States)

Dietrich, Tim; Bernuzzi, Sebastiano; Brügmann, Bernd; Ujevic, Maximiliano; Tichy, Wolfgang

2018-03-01

We present the first set of numerical relativity simulations of binary neutron mergers that include spin precession effects and are evolved with multiple resolutions. Our simulations employ consistent initial data in general relativity with different spin configurations and dimensionless spin magnitudes ˜0.1 . They start at a gravitational-wave frequency of ˜392 Hz and cover more than 1 precession period and about 15 orbits up to merger. We discuss the spin precession dynamics by analyzing coordinate trajectories, quasilocal spin measurements, and energetics, by comparing spin aligned, antialigned, and irrotational configurations. Gravitational waveforms from different spin configuration are compared by calculating the mismatch between pairs of waveforms in the late inspiral. We find that precession effects are not distinguishable from nonprecessing configurations with aligned spins for approximately face-on binaries, while the latter are distinguishable from nonspinning configurations. Spin precession effects are instead clearly visible for approximately edge-on binaries. For the parameters considered here, precession does not significantly affect the characteristic postmerger gravitational-wave frequencies nor the mass ejection. Our results pave the way for the modeling of spin precession effects in the gravitational waveform from binary neutron star events.

Numerical simulation of tornado-borne missile impact

International Nuclear Information System (INIS)

Tu, D.K.; Murray, R.C.

1977-01-01

The feasibility of using a finite element procedure to examine the impact phenomenon of a tornado-borne missile impinging on a reinforced concrete barrier was assessed. The major emphasis of this study was to simulate the impact of a nondeformable missile. Several series of simulations were run, using an 8-in.-dia steel slug as the impacting missile. The numerical results were then compared with experimental field tests and empirical formulas. The work is in support of tornado design practices for fuel reprocessing and fuel fabrication plants

Vertically integrated simulation tools for self-consistent tracking and analysis

International Nuclear Information System (INIS)

Forest, E.; Nishimura, H.

1989-03-01

A modeling, simulation and analysis code complex, the Gemini Package, was developed for the study of single-particle dynamics in the Advanced Light Source (ALS), a 1--2 GeV synchrotron radiation source now being built at Lawrence Berkeley Laboratory. The purpose of this paper is to describe the philosophy behind the package, with special emphasis on our vertical approach. 8 refs., 2 figs

Fluid dynamics theory, computation, and numerical simulation

CERN Document Server

Pozrikidis, C

2001-01-01

Fluid Dynamics Theory, Computation, and Numerical Simulation is the only available book that extends the classical field of fluid dynamics into the realm of scientific computing in a way that is both comprehensive and accessible to the beginner The theory of fluid dynamics, and the implementation of solution procedures into numerical algorithms, are discussed hand-in-hand and with reference to computer programming This book is an accessible introduction to theoretical and computational fluid dynamics (CFD), written from a modern perspective that unifies theory and numerical practice There are several additions and subject expansions in the Second Edition of Fluid Dynamics, including new Matlab and FORTRAN codes Two distinguishing features of the discourse are solution procedures and algorithms are developed immediately after problem formulations are presented, and numerical methods are introduced on a need-to-know basis and in increasing order of difficulty Matlab codes are presented and discussed for a broad...

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.

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.

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

Numerical simulation and modeling of the unsteady flow in turbomachinery; Numerische Simulation und Modellierung der instationaeren Stroemung in Turbomaschinen

Energy Technology Data Exchange (ETDEWEB)

Eulitz, F

2000-04-01

The present work is devoted to the development of a computational technique for the Reynolds-averaged, time-resolved simulation of the undsteady, viscous flow in turbomachinery. After identification of model criteria, a novel turbulence and transition model, based on the extension of a one-equation turbulence model, is derived in order to incorporate the Reynolds-averaged effects of boundary-layer transition in unsteady turbomachinery flow. Preserving low numerical dissipation and dispersion errors, the explicit time integration method is accelerated through a time-consistent two-grid approach to allow for an efficient use of parallel computers. The model development is carefully assessed by considering various test cases of steady and unsteady turbine flow with various transition modes or of transonic channel flow with self-excited shock-oscillation. The application of the computational technique is demonstrated for the case of a single-stage, transonic compressor component and of a three-stage low-pressure turbine at low Reynolds-number operation. (orig.) [German] In dieser Arbeit wird ein numerisches Verfahren zur zeitgenauen Simulation der instationaeren, reibungsbehafteten Stroemung in Turbomaschinen auf Grundlage der Reynolds-gemittelten Navier-Stokes-Gleichungen entwickelt. Nach Aufarbeitung der Modellierungsanforderungen wird basierend auf einem Eingleichungsturbulenzmodell ein neuartiges Turbulenz- und Transitionsmodell abgeleitet, mit dem verschiedene Transitionsmoden der instationaeren Turbomaschinenstroemung in ihrer Reynolds-gemittelten Wirkung beschrieben werden koennen. Durch einen zeitkonsistenten Zweigitter-Ansatz wird die Zeitintegration fuer Navier-Stokes-Simulationen auf Parallelrechnern unter Wahrung geringer numerischer Phasen- und Amplitudenfehler beschleunigt. Die Entwicklung wird an einer Reihe von Testfaellen, zur stationaeren und instationaeren Turbinenstroemung mit unterschiedlicher Grenzschichttransition oder zur transsonischen

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)

Direct numerical simulation of annular flows

Science.gov (United States)

Batchvarov, Assen; Kahouadji, Lyes; Chergui, Jalel; Juric, Damir; Shin, Seungwon; Craster, Richard V.; Matar, Omar K.

2017-11-01

Vertical counter-current two-phase flows are investigated using direct numerical simulations. The computations are carried out using Blue, a front-tracking-based CFD solver. Preliminary results show good qualitative agreement with experimental observations in terms of interfacial phenomena; these include three-dimensional, large-amplitude wave formation, the development of long ligaments, and droplet entrainment. The flooding phenomena in these counter current systems are closely investigated. The onset of flooding in our simulations is compared to existing empirical correlations such as Kutateladze-type and Wallis-type. The effect of varying tube diameter and fluid properties on the flooding phenomena is also investigated in this work. EPSRC, UK, MEMPHIS program Grant (EP/K003976/1), RAEng Research Chair (OKM).

CFD Numerical Simulation of Biodiesel Synthesis in a Spinning Disc Reactor

Directory of Open Access Journals (Sweden)

Wen Zhuqing

2015-03-01