A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

Energy Technology Data Exchange (ETDEWEB)

Fisicaro, G., E-mail: giuseppe.fisicaro@unibas.ch; Goedecker, S. [Department of Physics, University of Basel, Klingelbergstrasse 82, 4056 Basel (Switzerland); Genovese, L. [University of Grenoble Alpes, CEA, INAC-SP2M, L-Sim, F-38000 Grenoble (France); Andreussi, O. [Institute of Computational Science, Università della Svizzera Italiana, Via Giuseppe Buffi 13, CH-6904 Lugano (Switzerland); Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Station 12, CH-1015 Lausanne (Switzerland); Marzari, N. [Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne, Station 12, CH-1015 Lausanne (Switzerland)

2016-01-07

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.

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

International Nuclear Information System (INIS)

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

1988-01-01

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

Self-Consistent Sources Extensions of Modified Differential-Difference KP Equation

Science.gov (United States)

Gegenhasi; Li, Ya-Qian; Zhang, Duo-Duo

2018-04-01

In this paper, we investigate a modified differential-difference KP equation which is shown to have a continuum limit into the mKP equation. It is also shown that the solution of the modified differential-difference KP equation is related to the solution of the differential-difference KP equation through a Miura transformation. We first present the Grammian solution to the modified differential-difference KP equation, and then produce a coupled modified differential-difference KP system by applying the source generation procedure. The explicit N-soliton solution of the resulting coupled modified differential-difference system is expressed in compact forms by using the Grammian determinant and Casorati determinant. We also construct and solve another form of the self-consistent sources extension of the modified differential-difference KP equation, which constitutes a Bäcklund transformation for the differential-difference KP equation with self-consistent sources. Supported by the National Natural Science Foundation of China under Grant Nos. 11601247 and 11605096, the Natural Science Foundation of Inner Mongolia Autonomous Region under Grant Nos. 2016MS0115 and 2015MS0116 and the Innovation Fund Programme of Inner Mongolia University No. 20161115

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

Science.gov (United States)

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

2014-11-01

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

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

Science.gov (United States)

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

2014-11-01

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

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

International Nuclear Information System (INIS)

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

1988-01-01

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

A high order solver for the unbounded Poisson equation

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

2013-01-01

. The method is extended to directly solve the derivatives of the solution to Poissonʼs equation. In this way differential operators such as the divergence or curl of the solution field can be solved to the same high order convergence without additional computational effort. The method, is applied......A high order converging Poisson solver is presented, based on the Greenʼs function solution to Poissonʼs equation subject to free-space boundary conditions. The high order convergence is achieved by formulating regularised integration kernels, analogous to a smoothing of the solution field...... and validated, however not restricted, to the equations of fluid mechanics, and can be used in many applications to solve Poissonʼs equation on a rectangular unbounded domain....

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

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

International Nuclear Information System (INIS)

Lovesey, S.W.

1980-03-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2014-06-13

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

Solving Non-Isospectral mKdV Equation and Sine-Gordon Equation Hierarchies with Self-Consistent Sources via Inverse Scattering Transform

International Nuclear Information System (INIS)

Li Qi; Zhang Dajun; Chen Dengyuan

2010-01-01

N-soliton solutions of the hierarchy of non-isospectral mKdV equation with self-consistent sources and the hierarchy of non-isospectral sine-Gordon equation with self-consistent sources are obtained via the inverse scattering transform. (general)

Derivation of Poisson and Nernst-Planck equations in a bath and channel from a molecular model.

Science.gov (United States)

Schuss, Z; Nadler, B; Eisenberg, R S

2001-09-01

Permeation of ions from one electrolytic solution to another, through a protein channel, is a biological process of considerable importance. Permeation occurs on a time scale of micro- to milliseconds, far longer than the femtosecond time scales of atomic motion. Direct simulations of atomic dynamics are not yet possible for such long-time scales; thus, averaging is unavoidable. The question is what and how to average. In this paper, we average a Langevin model of ionic motion in a bulk solution and protein channel. The main result is a coupled system of averaged Poisson and Nernst-Planck equations (CPNP) involving conditional and unconditional charge densities and conditional potentials. The resulting NP equations contain the averaged force on a single ion, which is the sum of two components. The first component is the gradient of a conditional electric potential that is the solution of Poisson's equation with conditional and permanent charge densities and boundary conditions of the applied voltage. The second component is the self-induced force on an ion due to surface charges induced only by that ion at dielectric interfaces. The ion induces surface polarization charge that exerts a significant force on the ion itself, not present in earlier PNP equations. The proposed CPNP system is not complete, however, because the electric potential satisfies Poisson's equation with conditional charge densities, conditioned on the location of an ion, while the NP equations contain unconditional densities. The conditional densities are closely related to the well-studied pair-correlation functions of equilibrium statistical mechanics. We examine a specific closure relation, which on the one hand replaces the conditional charge densities by the unconditional ones in the Poisson equation, and on the other hand replaces the self-induced force in the NP equation by an effective self-induced force. This effective self-induced force is nearly zero in the baths but is approximately

Modeling self-consistent multi-class dynamic traffic flow

Science.gov (United States)

Cho, Hsun-Jung; Lo, Shih-Ching

2002-09-01

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

Solving (2 + 1)-dimensional sine-Poisson equation by a modified variable separated ordinary differential equation method

International Nuclear Information System (INIS)

Ka-Lin, Su; Yuan-Xi, Xie

2010-01-01

By introducing a more general auxiliary ordinary differential equation (ODE), a modified variable separated ordinary differential equation method is presented for solving the (2 + 1)-dimensional sine-Poisson equation. As a result, many explicit and exact solutions of the (2 + 1)-dimensional sine-Poisson equation are derived in a simple manner by this technique. (general)

The Poisson equation on Klein surfaces

Directory of Open Access Journals (Sweden)

Monica Rosiu

2016-04-01

Full Text Available We obtain a formula for the solution of the Poisson equation with Dirichlet boundary condition on a region of a Klein surface. This formula reveals the symmetric character of the solution.

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)

Selective Contrast Adjustment by Poisson Equation

Directory of Open Access Journals (Sweden)

Ana-Belen Petro

2013-09-01

Full Text Available Poisson Image Editing is a new technique permitting to modify the gradient vector field of an image, and then to recover an image with a gradient approaching this modified gradient field. This amounts to solve a Poisson equation, an operation which can be efficiently performed by Fast Fourier Transform (FFT. This paper describes an algorithm applying this technique, with two different variants. The first variant enhances the contrast by increasing the gradient in the dark regions of the image. This method is well adapted to images with back light or strong shadows, and reveals details in the shadows. The second variant of the same Poisson technique enhances all small gradients in the image, thus also sometimes revealing details and texture.

AQUASOL: An efficient solver for the dipolar Poisson-Boltzmann-Langevin equation.

Science.gov (United States)

Koehl, Patrice; Delarue, Marc

2010-02-14

The Poisson-Boltzmann (PB) formalism is among the most popular approaches to modeling the solvation of molecules. It assumes a continuum model for water, leading to a dielectric permittivity that only depends on position in space. In contrast, the dipolar Poisson-Boltzmann-Langevin (DPBL) formalism represents the solvent as a collection of orientable dipoles with nonuniform concentration; this leads to a nonlinear permittivity function that depends both on the position and on the local electric field at that position. The differences in the assumptions underlying these two models lead to significant differences in the equations they generate. The PB equation is a second order, elliptic, nonlinear partial differential equation (PDE). Its response coefficients correspond to the dielectric permittivity and are therefore constant within each subdomain of the system considered (i.e., inside and outside of the molecules considered). While the DPBL equation is also a second order, elliptic, nonlinear PDE, its response coefficients are nonlinear functions of the electrostatic potential. Many solvers have been developed for the PB equation; to our knowledge, none of these can be directly applied to the DPBL equation. The methods they use may adapt to the difference; their implementations however are PBE specific. We adapted the PBE solver originally developed by Holst and Saied [J. Comput. Chem. 16, 337 (1995)] to the problem of solving the DPBL equation. This solver uses a truncated Newton method with a multigrid preconditioner. Numerical evidences suggest that it converges for the DPBL equation and that the convergence is superlinear. It is found however to be slow and greedy in memory requirement for problems commonly encountered in computational biology and computational chemistry. To circumvent these problems, we propose two variants, a quasi-Newton solver based on a simplified, inexact Jacobian and an iterative self-consistent solver that is based directly on the PBE

Solving the Fluid Pressure Poisson Equation Using Multigrid-Evaluation and Improvements.

Science.gov (United States)

Dick, Christian; Rogowsky, Marcus; Westermann, Rudiger

2016-11-01

In many numerical simulations of fluids governed by the incompressible Navier-Stokes equations, the pressure Poisson equation needs to be solved to enforce mass conservation. Multigrid solvers show excellent convergence in simple scenarios, yet they can converge slowly in domains where physically separated regions are combined at coarser scales. Moreover, existing multigrid solvers are tailored to specific discretizations of the pressure Poisson equation, and they cannot easily be adapted to other discretizations. In this paper we analyze the convergence properties of existing multigrid solvers for the pressure Poisson equation in different simulation domains, and we show how to further improve the multigrid convergence rate by using a graph-based extension to determine the coarse grid hierarchy. The proposed multigrid solver is generic in that it can be applied to different kinds of discretizations of the pressure Poisson equation, by using solely the specification of the simulation domain and pre-assembled computational stencils. We analyze the proposed solver in combination with finite difference and finite volume discretizations of the pressure Poisson equation. Our evaluations show that, despite the common assumption, multigrid schemes can exploit their potential even in the most complicated simulation scenarios, yet this behavior is obtained at the price of higher memory consumption.

Poisson equation for weak gravitational lensing

International Nuclear Information System (INIS)

Kling, Thomas P.; Campbell, Bryan

2008-01-01

Using the Newman and Penrose [E. T. Newman and R. Penrose, J. Math. Phys. (N.Y.) 3, 566 (1962).] spin-coefficient formalism, we examine the full Bianchi identities of general relativity in the context of gravitational lensing, where the matter and space-time curvature are projected into a lens plane perpendicular to the line of sight. From one component of the Bianchi identity, we provide a rigorous, new derivation of a Poisson equation for the projected matter density where the source term involves second derivatives of the observed weak gravitational lensing shear. We also show that the other components of the Bianchi identity reveal no new results. Numerical integration of the Poisson equation in test cases shows an accurate mass map can be constructed from the combination of a ground-based, wide-field image and a Hubble Space Telescope image of the same system

Self-consistent field theory of collisions: Orbital equations with asymptotic sources and self-averaged potentials

Energy Technology Data Exchange (ETDEWEB)

Hahn, Y.K., E-mail: ykhahn22@verizon.net

2014-12-15

The self-consistent field theory of collisions is formulated, incorporating the unique dynamics generated by the self-averaged potentials. The bound state Hartree–Fock approach is extended for the first time to scattering states, by properly resolving the principal difficulties of non-integrable continuum orbitals and imposing complex asymptotic conditions. The recently developed asymptotic source theory provides the natural theoretical basis, as the asymptotic conditions are completely transferred to the source terms and the new scattering function is made fullyintegrable. The scattering solutions can then be directly expressed in terms of bound state HF configurations, establishing the relationship between the bound and scattering state solutions. Alternatively, the integrable spin orbitals are generated by constructing the individual orbital equations that contain asymptotic sources and self-averaged potentials. However, the orbital energies are not determined by the equations, and a special channel energy fixing procedure is developed to secure the solutions. It is also shown that the variational construction of the orbital equations has intrinsic ambiguities that are generally associated with the self-consistent approach. On the other hand, when a small subset of open channels is included in the source term, the solutions are only partiallyintegrable, but the individual open channels can then be treated more simply by properly selecting the orbital energies. The configuration mixing and channel coupling are then necessary to complete the solution. The new theory improves the earlier continuum HF model. - Highlights: • First extension of HF to scattering states, with proper asymptotic conditions. • Orbital equations with asymptotic sources and integrable orbital solutions. • Construction of self-averaged potentials, and orbital energy fixing. • Channel coupling and configuration mixing, involving the new orbitals. • Critical evaluation of the

The Arrow of Time in the Collapse of Collisionless Self-gravitating Systems: Non-validity of the Vlasov-Poisson Equation during Violent Relaxation

Science.gov (United States)

Beraldo e Silva, Leandro; de Siqueira Pedra, Walter; Sodré, Laerte; Perico, Eder L. D.; Lima, Marcos

2017-09-01

The collapse of a collisionless self-gravitating system, with the fast achievement of a quasi-stationary state, is driven by violent relaxation, with a typical particle interacting with the time-changing collective potential. It is traditionally assumed that this evolution is governed by the Vlasov-Poisson equation, in which case entropy must be conserved. We run N-body simulations of isolated self-gravitating systems, using three simulation codes, NBODY-6 (direct summation without softening), NBODY-2 (direct summation with softening), and GADGET-2 (tree code with softening), for different numbers of particles and initial conditions. At each snapshot, we estimate the Shannon entropy of the distribution function with three different techniques: Kernel, Nearest Neighbor, and EnBiD. For all simulation codes and estimators, the entropy evolution converges to the same limit as N increases. During violent relaxation, the entropy has a fast increase followed by damping oscillations, indicating that violent relaxation must be described by a kinetic equation other than the Vlasov-Poisson equation, even for N as large as that of astronomical structures. This indicates that violent relaxation cannot be described by a time-reversible equation, shedding some light on the so-called “fundamental paradox of stellar dynamics.” The long-term evolution is well-described by the orbit-averaged Fokker-Planck model, with Coulomb logarithm values in the expected range 10{--}12. By means of NBODY-2, we also study the dependence of the two-body relaxation timescale on the softening length. The approach presented in the current work can potentially provide a general method for testing any kinetic equation intended to describe the macroscopic evolution of N-body systems.

On the hydrodynamic limit of self-consistent field equations

International Nuclear Information System (INIS)

Pauli, H.C.

1980-01-01

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

Pathological behavior of the open-shell restricted self-consistent-field equations

International Nuclear Information System (INIS)

Moscardo, F.; Alvarez-Collado, J.R.

1979-01-01

The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations

Pathological behavior of the open-shell restricted self-consistent-field equations

Energy Technology Data Exchange (ETDEWEB)

Moscardo, F.; Alvarez-Collado, J.R.

1979-02-01

The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations.

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)

A mixed method Poisson solver for three-dimensional self-gravitating astrophysical fluid dynamical systems

Science.gov (United States)

Duncan, Comer; Jones, Jim

1993-01-01

A key ingredient in the simulation of self-gravitating astrophysical fluid dynamical systems is the gravitational potential and its gradient. This paper focuses on the development of a mixed method multigrid solver of the Poisson equation formulated so that both the potential and the Cartesian components of its gradient are self-consistently and accurately generated. The method achieves this goal by formulating the problem as a system of four equations for the gravitational potential and the three Cartesian components of the gradient and solves them using a distributed relaxation technique combined with conventional full multigrid V-cycles. The method is described, some tests are presented, and the accuracy of the method is assessed. We also describe how the method has been incorporated into our three-dimensional hydrodynamics code and give an example of an application to the collision of two stars. We end with some remarks about the future developments of the method and some of the applications in which it will be used in astrophysics.

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

Robust iterative observer for source localization for Poisson equation

KAUST Repository

Majeed, Muhammad Usman

2017-01-05

Source localization problem for Poisson equation with available noisy boundary data is well known to be highly sensitive to noise. The problem is ill posed and lacks to fulfill Hadamards stability criteria for well posedness. In this work, first a robust iterative observer is presented for boundary estimation problem for Laplace equation, and then this algorithm along with the available noisy boundary data from the Poisson problem is used to localize point sources inside a rectangular domain. The algorithm is inspired from Kalman filter design, however one of the space variables is used as time-like. Numerical implementation along with simulation results is detailed towards the end.

Robust iterative observer for source localization for Poisson equation

KAUST Repository

Majeed, Muhammad Usman; Laleg-Kirati, Taous-Meriem

2017-01-01

Source localization problem for Poisson equation with available noisy boundary data is well known to be highly sensitive to noise. The problem is ill posed and lacks to fulfill Hadamards stability criteria for well posedness. In this work, first a robust iterative observer is presented for boundary estimation problem for Laplace equation, and then this algorithm along with the available noisy boundary data from the Poisson problem is used to localize point sources inside a rectangular domain. The algorithm is inspired from Kalman filter design, however one of the space variables is used as time-like. Numerical implementation along with simulation results is detailed towards the end.

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

Poisson hierarchy of discrete strings

International Nuclear Information System (INIS)

Ioannidou, Theodora; Niemi, Antti J.

2016-01-01

The Poisson geometry of a discrete string in three dimensional Euclidean space is investigated. For this the Frenet frames are converted into a spinorial representation, the discrete spinor Frenet equation is interpreted in terms of a transfer matrix formalism, and Poisson brackets are introduced in terms of the spinor components. The construction is then generalised, in a self-similar manner, into an infinite hierarchy of Poisson algebras. As an example, the classical Virasoro (Witt) algebra that determines reparametrisation diffeomorphism along a continuous string, is identified as a particular sub-algebra, in the hierarchy of the discrete string Poisson algebra. - Highlights: • Witt (classical Virasoro) algebra is derived in the case of discrete string. • Infinite dimensional hierarchy of Poisson bracket algebras is constructed for discrete strings. • Spinor representation of discrete Frenet equations is developed.

Poisson hierarchy of discrete strings

Energy Technology Data Exchange (ETDEWEB)

Ioannidou, Theodora, E-mail: ti3@auth.gr [Faculty of Civil Engineering, School of Engineering, Aristotle University of Thessaloniki, 54249, Thessaloniki (Greece); Niemi, Antti J., E-mail: Antti.Niemi@physics.uu.se [Department of Physics and Astronomy, Uppsala University, P.O. Box 803, S-75108, Uppsala (Sweden); Laboratoire de Mathematiques et Physique Theorique CNRS UMR 6083, Fédération Denis Poisson, Université de Tours, Parc de Grandmont, F37200, Tours (France); Department of Physics, Beijing Institute of Technology, Haidian District, Beijing 100081 (China)

2016-01-28

The Poisson geometry of a discrete string in three dimensional Euclidean space is investigated. For this the Frenet frames are converted into a spinorial representation, the discrete spinor Frenet equation is interpreted in terms of a transfer matrix formalism, and Poisson brackets are introduced in terms of the spinor components. The construction is then generalised, in a self-similar manner, into an infinite hierarchy of Poisson algebras. As an example, the classical Virasoro (Witt) algebra that determines reparametrisation diffeomorphism along a continuous string, is identified as a particular sub-algebra, in the hierarchy of the discrete string Poisson algebra. - Highlights: • Witt (classical Virasoro) algebra is derived in the case of discrete string. • Infinite dimensional hierarchy of Poisson bracket algebras is constructed for discrete strings. • Spinor representation of discrete Frenet equations is developed.

Poisson's theorem and integrals of KdV equation

International Nuclear Information System (INIS)

Tasso, H.

1978-01-01

Using Poisson's theorem it is proved that if F = integral sub(-infinity)sup(+infinity) T(u,usub(x),...usub(n,t))dx is an invariant functional of KdV equation, then integral sub(-infinity)sup(+infinity) delta F/delta u dx integral sub(-infinity)sup(+infinity) delta T/delta u dx is also an invariant functional. In the case of a polynomial T, one finds in a simple way the known recursion ΔTr/Δu = Tsub(r-1). This note gives an example of the usefulness of Poisson's theorem. (author)

Poisson's equation in de Sitter space-time

Energy Technology Data Exchange (ETDEWEB)

Pessa, E [Rome Univ. (Italy). Ist. di Matematica

1980-11-01

Based on a suitable generalization of Poisson's equation for de Sitter space-time the form of gravitation's law in 'projective relativity' is examined; it is found that, in the interior case, a small difference with the customary Newtonian law arises. This difference, of a repulsive character, can be very important in cosmological problems.

Hamiltonian field description of the one-dimensional Poisson-Vlasov equations

International Nuclear Information System (INIS)

Morrison, P.J.

1981-07-01

The one-dimensional Poisson-Vlasov equations are cast into Hamiltonian form. A Poisson Bracket in terms of the phase space density, as sole dynamical variable, is presented. This Poisson bracket is not of the usual form, but possesses the commutator properties of antisymmetry, bilinearity, and nonassociativity by virtue of the Jacobi requirement. Clebsch potentials are seen to yield a conventional (canonical) formulation. This formulation is discretized by expansion in terms of an arbitrary complete set of basis functions. In particular, a wave field representation is obtained

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

International Nuclear Information System (INIS)

Li Li

2011-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2011-03-14

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

Development of a Generalized Version of the Poisson-Nernst-Planck Equations Using the Hybrid Mixture Theory: Presentation of 2D Numerical Examples

DEFF Research Database (Denmark)

Johannesson, Björn

2010-01-01

A numerical scheme for the transient solution of generalized version of the Poisson-Nernst-Planck equations is presented. The finite element method is used to establish the coupled non-linear matrix system of equations capable of solving the present problem iteratively. The Poisson......-scale and that it includes the volume fractions of phases in its structure. The background to the Poisson-Nernst-Planck equations can by the HMT approach be described by using the postulates of mass conservation of constituents together with the Gauss’ law used together with consistent constitutive laws. The HMT theory......-Nernst-Planck equations represent a set of diffusion equations for charged species, i.e. dissolved ions. These equations are coupled to the ‘internally’ induced electrical field and to the velocity field of the fluid. The Nernst-Planck equations describing the diffusion of the ionic species and the Gauss’ law in used are...

Stability of the trivial solution for linear stochastic differential equations with Poisson white noise

International Nuclear Information System (INIS)

Grigoriu, Mircea; Samorodnitsky, Gennady

2004-01-01

Two methods are considered for assessing the asymptotic stability of the trivial solution of linear stochastic differential equations driven by Poisson white noise, interpreted as the formal derivative of a compound Poisson process. The first method attempts to extend a result for diffusion processes satisfying linear stochastic differential equations to the case of linear equations with Poisson white noise. The developments for the method are based on Ito's formula for semimartingales and Lyapunov exponents. The second method is based on a geometric ergodic theorem for Markov chains providing a criterion for the asymptotic stability of the solution of linear stochastic differential equations with Poisson white noise. Two examples are presented to illustrate the use and evaluate the potential of the two methods. The examples demonstrate limitations of the first method and the generality of the second method

Structural interactions in ionic liquids linked to higher-order Poisson-Boltzmann equations

Science.gov (United States)

Blossey, R.; Maggs, A. C.; Podgornik, R.

2017-06-01

We present a derivation of generalized Poisson-Boltzmann equations starting from classical theories of binary fluid mixtures, employing an approach based on the Legendre transform as recently applied to the case of local descriptions of the fluid free energy. Under specific symmetry assumptions, and in the linearized regime, the Poisson-Boltzmann equation reduces to a phenomenological equation introduced by Bazant et al. [Phys. Rev. Lett. 106, 046102 (2011)], 10.1103/PhysRevLett.106.046102, whereby the structuring near the surface is determined by bulk coefficients.

The Integral Equation Method and the Neumann Problem for the Poisson Equation on NTA Domains

Czech Academy of Sciences Publication Activity Database

Medková, Dagmar

2009-01-01

Roč. 63, č. 21 (2009), s. 227-247 ISSN 0378-620X Institutional research plan: CEZ:AV0Z10190503 Keywords : Poisson equation * Neumann problem * integral equation method Subject RIV: BA - General Mathematics Impact factor: 0.477, year: 2009

Generalized master equations for non-Poisson dynamics on networks.

Science.gov (United States)

Hoffmann, Till; Porter, Mason A; Lambiotte, Renaud

2012-10-01

The traditional way of studying temporal networks is to aggregate the dynamics of the edges to create a static weighted network. This implicitly assumes that the edges are governed by Poisson processes, which is not typically the case in empirical temporal networks. Accordingly, we examine the effects of non-Poisson inter-event statistics on the dynamics of edges, and we apply the concept of a generalized master equation to the study of continuous-time random walks on networks. We show that this equation reduces to the standard rate equations when the underlying process is Poissonian and that its stationary solution is determined by an effective transition matrix whose leading eigenvector is easy to calculate. We conduct numerical simulations and also derive analytical results for the stationary solution under the assumption that all edges have the same waiting-time distribution. We discuss the implications of our work for dynamical processes on temporal networks and for the construction of network diagnostics that take into account their nontrivial stochastic nature.

A modified KdV equation with self-consistent sources in non-uniform media and soliton dynamics

International Nuclear Information System (INIS)

Zhang Dajun; Bi Jinbo; Hao Honghai

2006-01-01

Two non-isospectral modified KdV equations with self-consistent sources are derived, which correspond to the time-dependent spectral parameter λ satisfying λ t = λ and λ t = λ 3 , respectively. Gauge transformation between the first non-isospectral equation (corresponding to λ t = λ) and its isospectral counterpart is given, from which exact solutions and conservation laws for the non-isospectral one are easily listed. Besides, solutions to the two non-isospectral modified KdV equations with self-consistent sources are derived by means of the Hirota method and the Wronskian technique, respectively. Non-isospectral dynamics and source effects, including one-soliton characteristics in non-uniform media, two-solitons scattering and special behaviours related to sources (for example, the 'ghost' solitons in the degenerate two-soliton case), are investigated analytically

High-Order Finite-Difference Solution of the Poisson Equation Involving Complex Geometries in Embedded Meshes

Science.gov (United States)

Marques, Alexandre; Nave, Jean-Christophe; Rosales, Ruben

2011-11-01

The Poisson equation is of central importance in the description of fluid flows and other physical phenomena. In prior work, Marques, Nave, and Rosales introduced the Correction Function Method (CFM) to obtain fourth-order accurate solutions for the constant coefficient Poisson problem with prescribed jump conditions for the solution and its normal derivative across arbitrary interfaces. Here we combine this method with the ideas introduced by Mayo to solve other Poisson problems involving complex geometries. In summary, we are able to rewrite the problem as a boundary integral equation in terms of a potential distribution over the boundary or interface. The solution of this integral equation is discontinuous across the boundary or interface. Hence, after this integral equation is solved using standard techniques, the potential distribution can be used to determine the jump discontinuities. We are then able to use the CFM to solve the resulting Poisson equation with jump discontinuities. The outcome is a fourth-order accurate scheme to solve general Poisson problems which, over arbitrary geometries, has a cost that is approximately twice that of a fast Poisson solver using FFT on a rectangular geometry of the same size. Details of the method and applications will be presented.

The exact solution of self-consistent equations in the scanning near-field optic microscopy problem

DEFF Research Database (Denmark)

Lozovski, Valeri; Bozhevolnyi, Sergey I.

1999-01-01

The macroscopic approach that allows one to obtain an exact solution of the self-consistent equation of the Lippmann-Schwinger type is developed. The main idea of our method consist in usage of diagram technque for exact summation of the infinite series corresponding to the iteration procedure fo...

Poisson equation in the Kohn-Sham Coulomb problem

OpenAIRE

Manby, F. R.; Knowles, Peter James

2001-01-01

We apply the Poisson equation to the quantum mechanical Coulomb problem for many-particle systems. By introducing a suitable basis set, the two-electron Coulomb integrals become simple overlaps. This offers the possibility of very rapid linear-scaling treatment of the Coulomb contribution to Kohn-Sham theory.

Raychaudhuri equation in the self-consistent Einstein-Cartan theory with spin-density

Science.gov (United States)

Fennelly, A. J.; Krisch, Jean P.; Ray, John R.; Smalley, Larry L.

1988-01-01

The physical implications of the Raychaudhuri equation for a spinning fluid in a Riemann-Cartan spacetime is developed and discussed using the self-consistent Lagrangian based formulation for the Einstein-Cartan theory. It was found that the spin-squared terms contribute to expansion (inflation) at early times and may lead to a bounce in the final collapse. The relationship between the fluid's vorticity and spin angular velocity is clarified and the effect of the interaction terms between the spin angular velocity and the spin in the Raychaudhuri equation investigated. These results should prove useful for studies of systems with an intrinsic spin angular momentum in extreme astrophysical or cosmological problems.

A Fortran program (RELAX3D) to solve the 3 dimensional Poisson (Laplace) equation

International Nuclear Information System (INIS)

Houtman, H.; Kost, C.J.

1983-09-01

RELAX3D is an efficient, user friendly, interactive FORTRAN program which solves the Poisson (Laplace) equation Λ 2 =p for a general 3 dimensional geometry consisting of Dirichlet and Neumann boundaries approximated to lie on a regular 3 dimensional mesh. The finite difference equations at these nodes are solved using a successive point-iterative over-relaxation method. A menu of commands, supplemented by HELP facility, controls the dynamic loading of the subroutine describing the problem case, the iterations to converge to a solution, and the contour plotting of any desired slices, etc

Self-consistent quark bags

International Nuclear Information System (INIS)

Rafelski, J.

1979-01-01

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

A System of Poisson Equations for a Nonconstant Varadhan Functional on a Finite State Space

International Nuclear Information System (INIS)

Cavazos-Cadena, Rolando; Hernandez-Hernandez, Daniel

2006-01-01

Given a discrete-time Markov chain with finite state space and a stationary transition matrix, a system of 'local' Poisson equations characterizing the (exponential) Varadhan's functional J(.) is given. The main results, which are derived for an arbitrary transition structure so that J(.) may be nonconstant, are as follows: (i) Any solution to the local Poisson equations immediately renders Varadhan's functional, and (ii) a solution of the system always exist. The proof of this latter result is constructive and suggests a method to solve the local Poisson equations

Statistical shape analysis using 3D Poisson equation--A quantitatively validated approach.

Science.gov (United States)

Gao, Yi; Bouix, Sylvain

2016-05-01

Statistical shape analysis has been an important area of research with applications in biology, anatomy, neuroscience, agriculture, paleontology, etc. Unfortunately, the proposed methods are rarely quantitatively evaluated, and as shown in recent studies, when they are evaluated, significant discrepancies exist in their outputs. In this work, we concentrate on the problem of finding the consistent location of deformation between two population of shapes. We propose a new shape analysis algorithm along with a framework to perform a quantitative evaluation of its performance. Specifically, the algorithm constructs a Signed Poisson Map (SPoM) by solving two Poisson equations on the volumetric shapes of arbitrary topology, and statistical analysis is then carried out on the SPoMs. The method is quantitatively evaluated on synthetic shapes and applied on real shape data sets in brain structures. Copyright © 2016 Elsevier B.V. All rights reserved.

Linear Scaling Solution of the Time-Dependent Self-Consistent-Field Equations

Directory of Open Access Journals (Sweden)

Matt Challacombe

2014-03-01

Full Text Available A new approach to solving the Time-Dependent Self-Consistent-Field equations is developed based on the double quotient formulation of Tsiper 2001 (J. Phys. B. Dual channel, quasi-independent non-linear optimization of these quotients is found to yield convergence rates approaching those of the best case (single channel Tamm-Dancoff approximation. This formulation is variational with respect to matrix truncation, admitting linear scaling solution of the matrix-eigenvalue problem, which is demonstrated for bulk excitons in the polyphenylene vinylene oligomer and the (4,3 carbon nanotube segment.

Self-consistent relativistic Boltzmann-Uehling-Uhlenbeck equation for the Δ distribution function

International Nuclear Information System (INIS)

Mao, G.; Li, Z.; Zhuo, Y.

1996-01-01

We derive the self-consistent relativistic Boltzmann-Uehling-Uhlenbeck (RBUU) equation for the delta distribution function within the framework which we have done for nucleon close-quote s. In our approach, the Δ isobars are treated in essentially the same way as nucleons. Both mean field and collision terms of Δ close-quote s RBUU equation are derived from the same effective Lagrangian and presented analytically. We calculate the in-medium NΔ elastic and inelastic scattering cross sections up to twice nuclear matter density and the results show that the in-medium cross sections deviate substantially from Cugnon close-quote s parametrization that is commonly used in the transport model. copyright 1996 The American Physical Society

Modifying Poisson equation for near-solute dielectric polarization and solvation free energy

Energy Technology Data Exchange (ETDEWEB)

Yang, Pei-Kun, E-mail: peikun@isu.edu.tw

2016-06-15

Highlights: • We modify the Poisson equation. • The dielectric polarization was calculated from the modified Poisson equation. • The solvation free energies of the solutes were calculated from the dielectric polarization. • The calculated solvation free energies were similar to those obtained from MD simulations. - Abstract: The dielectric polarization P is important for calculating the stability of protein conformation and the binding affinity of protein–protein/ligand interactions and for exploring the nonthermal effect of an external electric field on biomolecules. P was decomposed into the product of the electric dipole moment per molecule p; bulk solvent density N{sub bulk}; and relative solvent molecular density g. For a molecular solute, 4πr{sup 2}p(r) oscillates with the distance r to the solute, and g(r) has a large peak in the near-solute region, as observed in molecular dynamics (MD) simulations. Herein, the Poisson equation was modified for computing p based on the modified Gauss’s law of Maxwell’s equations, and the potential of the mean force was used for computing g. For one or two charged atoms in a water cluster, the solvation free energies of the solutes obtained by these equations were similar to those obtained from MD simulations.

A high order solver for the unbounded Poisson equation

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

2012-01-01

This work improves upon Hockney and Eastwood's Fourier-based algorithm for the unbounded Poisson equation to formally achieve arbitrary high order of convergence without any additional computational cost. We assess the methodology on the kinematic relations between the velocity and vorticity fields....

Coefficient Inverse Problem for Poisson's Equation in a Cylinder

NARCIS (Netherlands)

Solov'ev, V. V.

2011-01-01

The inverse problem of determining the coefficient on the right-hand side of Poisson's equation in a cylindrical domain is considered. The Dirichlet boundary value problem is studied. Two types of additional information (overdetermination) can be specified: (i) the trace of the solution to the

Poisson structure of the equations of ideal multispecies fluid electrodynamics

International Nuclear Information System (INIS)

Spencer, R.G.

1984-01-01

The equations of the two- (or multi-) fluid model of plasma physics are recast in Hamiltonian form, following general methods of symplectic geometry. The dynamical variables are the fields of physical interest, but are noncanonical, so that the Poisson bracket in the theory is not the standard one. However, it is a skew-symmetric bilinear form which, from the method of derivation, automatically satisfies the Jacobi identity; therefore, this noncanonical structure has all the essential properties of a canonical Poisson bracket

Equal-Time and Equal-Space Poisson Brackets of the N -Component Coupled NLS Equation

International Nuclear Information System (INIS)

Zhou Ru-Guang; Li Pei-Yao; Gao Yuan

2017-01-01

Two Poisson brackets for the N-component coupled nonlinear Schrödinger (NLS) equation are derived by using the variantional principle. The first one is called the equal-time Poisson bracket which does not depend on time but only on the space variable. Actually it is just the usual one describing the time evolution of system in the traditional theory of integrable Hamiltonian systems. The second one is equal-space and new. It is shown that the spatial part of Lax pair with respect to the equal-time Poisson bracket and temporal part of Lax pair with respect to the equal-space Poisson bracket share the same r-matrix formulation. These properties are similar to that of the NLS equation. (paper)

Cellular solutions for the Poisson equation in extended systems

International Nuclear Information System (INIS)

Zhang, X.; Butler, W.H.; MacLaren, J.M.; van Ek, J.

1994-01-01

The Poisson equation for the electrostatic potential in a solid is solved using three different cellular techniques. The relative merits of these different approaches are discussed for two test charge densities for which an analytic solution to the Poisson equation is known. The first approach uses full-cell multiple-scattering theory and results in the famililar structure constant and multipole moment expansion. This solution is shown to be valid everywhere inside the cell, although for points outside the muffin-tin sphere but inside the cell the sums must be performed in the correct order to yield meaningful results. A modification of the multiple-scattering-theory approach yields a second method, a Green-function cellular method, which only requires the solution of a nearest-neighbor linear system of equations. A third approach, a related variational cellular method, is also derived. The variational cellular approach is shown to be the most accurate and reliable, and to have the best convergence in angular momentum of the three methods. Coulomb energies accurate to within 10 -6 hartree are easily achieved with the variational cellular approach, demonstrating the practicality of the approach in electronic structure calculations

Geometric discretization of the multidimensional Dirac delta distribution - Application to the Poisson equation with singular source terms

Science.gov (United States)

Egan, Raphael; Gibou, Frédéric

2017-10-01

We present a discretization method for the multidimensional Dirac distribution. We show its applicability in the context of integration problems, and for discretizing Dirac-distributed source terms in Poisson equations with constant or variable diffusion coefficients. The discretization is cell-based and can thus be applied in a straightforward fashion to Quadtree/Octree grids. The method produces second-order accurate results for integration. Superlinear convergence is observed when it is used to model Dirac-distributed source terms in Poisson equations: the observed order of convergence is 2 or slightly smaller. The method is consistent with the discretization of Dirac delta distribution for codimension one surfaces presented in [1,2]. We present Quadtree/Octree construction procedures to preserve convergence and present various numerical examples, including multi-scale problems that are intractable with uniform grids.

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

Self-consistent expansion for the molecular beam epitaxy equation.

Science.gov (United States)

Katzav, Eytan

2002-03-01

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

Appearance of eigen modes for the linearized Vlasov-Poisson equation

International Nuclear Information System (INIS)

Degond, P.

1983-01-01

In order to determine the asymptotic behaviour, when the time goes to infinity, of the solution of the linearized Vlasov-Poisson equation, we use eigen modes, associated to continuous linear functionals on a Banach space of analytic functions [fr

Some Evolution Hierarchies Derived from Self-dual Yang-Mills Equations

International Nuclear Information System (INIS)

Zhang Yufeng; Hon, Y.C.

2011-01-01

We develop in this paper a new method to construct two explicit Lie algebras E and F. By using a loop algebra Ē of the Lie algebra E and the reduced self-dual Yang-Mills equations, we obtain an expanding integrable model of the Giachetti-Johnson (GJ) hierarchy whose Hamiltonian structure can also be derived by using the trace identity. This provides a much simpler construction method in comparing with the tedious variational identity approach. Furthermore, the nonlinear integrable coupling of the GJ hierarchy is readily obtained by introducing the Lie algebra g N . As an application, we apply the loop algebra E-tilde of the Lie algebra E to obtain a kind of expanding integrable model of the Kaup-Newell (KN) hierarchy which, consisting of two arbitrary parameters α and β, can be reduced to two nonlinear evolution equations. In addition, we use a loop algebra F of the Lie algebra F to obtain an expanding integrable model of the BT hierarchy whose Hamiltonian structure is the same as using the trace identity. Finally, we deduce five integrable systems in R 3 based on the self-dual Yang-Mills equations, which include Poisson structures, irregular lines, and the reduced equations. (general)

Application of the Poisson-Nernst-Planck equations to the migration test

DEFF Research Database (Denmark)

Krabbenhøft, Kristian; Krabbenhøft, Jørgen

2008-01-01

The Poisson-Nernst-Planck (PNP) equations are applied to model the migration test. A detailed analysis of the equations is presented and the effects of a number of common, simplifying assumptions are quantified. In addition, closed-form solutions for the effective chloride diffusivity based...... on the full PNP equations are derived, a number of experiments are analyzed in detail, and a new, truly accelerated migration test is proposed. Finally, we present a finite element procedure for numerical solution of the PNP equations....

A modified Poisson-Boltzmann equation applied to protein adsorption.

Science.gov (United States)

Gama, Marlon de Souza; Santos, Mirella Simões; Lima, Eduardo Rocha de Almeida; Tavares, Frederico Wanderley; Barreto, Amaro Gomes Barreto

2018-01-05

Ion-exchange chromatography has been widely used as a standard process in purification and analysis of protein, based on the electrostatic interaction between the protein and the stationary phase. Through the years, several approaches are used to improve the thermodynamic description of colloidal particle-surface interaction systems, however there are still a lot of gaps specifically when describing the behavior of protein adsorption. Here, we present an improved methodology for predicting the adsorption equilibrium constant by solving the modified Poisson-Boltzmann (PB) equation in bispherical coordinates. By including dispersion interactions between ions and protein, and between ions and surface, the modified PB equation used can describe the Hofmeister effects. We solve the modified Poisson-Boltzmann equation to calculate the protein-surface potential of mean force, treated as spherical colloid-plate system, as a function of process variables. From the potential of mean force, the Henry constants of adsorption, for different proteins and surfaces, are calculated as a function of pH, salt concentration, salt type, and temperature. The obtained Henry constants are compared with experimental data for several isotherms showing excellent agreement. We have also performed a sensitivity analysis to verify the behavior of different kind of salts and the Hofmeister effects. Copyright © 2017 Elsevier B.V. All rights reserved.

The Poisson equation at second order in relativistic cosmology

International Nuclear Information System (INIS)

Hidalgo, J.C.; Christopherson, Adam J.; Malik, Karim A.

2013-01-01

We calculate the relativistic constraint equation which relates the curvature perturbation to the matter density contrast at second order in cosmological perturbation theory. This relativistic ''second order Poisson equation'' is presented in a gauge where the hydrodynamical inhomogeneities coincide with their Newtonian counterparts exactly for a perfect fluid with constant equation of state. We use this constraint to introduce primordial non-Gaussianity in the density contrast in the framework of General Relativity. We then derive expressions that can be used as the initial conditions of N-body codes for structure formation which probe the observable signature of primordial non-Gaussianity in the statistics of the evolved matter density field

Steady state solution of the Poisson-Nernst-Planck equations

International Nuclear Information System (INIS)

Golovnev, A.; Trimper, S.

2010-01-01

The exact steady state solution of the Poisson-Nernst-Planck equations (PNP) is given in terms of Jacobi elliptic functions. A more tractable approximate solution is derived which can be used to compare the results with experimental observations in binary electrolytes. The breakdown of the PNP for high concentration and high applied voltage is discussed.

A multiresolution method for solving the Poisson equation using high order regularization

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Walther, Jens Honore

2016-01-01

We present a novel high order multiresolution Poisson solver based on regularized Green's function solutions to obtain exact free-space boundary conditions while using fast Fourier transforms for computational efficiency. Multiresolution is a achieved through local refinement patches and regulari......We present a novel high order multiresolution Poisson solver based on regularized Green's function solutions to obtain exact free-space boundary conditions while using fast Fourier transforms for computational efficiency. Multiresolution is a achieved through local refinement patches...... and regularized Green's functions corresponding to the difference in the spatial resolution between the patches. The full solution is obtained utilizing the linearity of the Poisson equation enabling super-position of solutions. We show that the multiresolution Poisson solver produces convergence rates...

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.

Controllability of nonlocal second-order impulsive neutral stochastic functional integro-differential equations with delay and Poisson jumps

Directory of Open Access Journals (Sweden)

Diem Dang Huan

2015-12-01

Full Text Available The current paper is concerned with the controllability of nonlocal second-order impulsive neutral stochastic functional integro-differential equations with infinite delay and Poisson jumps in Hilbert spaces. Using the theory of a strongly continuous cosine family of bounded linear operators, stochastic analysis theory and with the help of the Banach fixed point theorem, we derive a new set of sufficient conditions for the controllability of nonlocal second-order impulsive neutral stochastic functional integro-differential equations with infinite delay and Poisson jumps. Finally, an application to the stochastic nonlinear wave equation with infinite delay and Poisson jumps is given.

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)

Stability analysis for neutral stochastic differential equation of second order driven by Poisson jumps

Science.gov (United States)

Chadha, Alka; Bora, Swaroop Nandan

2017-11-01

This paper studies the existence, uniqueness, and exponential stability in mean square for the mild solution of neutral second order stochastic partial differential equations with infinite delay and Poisson jumps. By utilizing the Banach fixed point theorem, first the existence and uniqueness of the mild solution of neutral second order stochastic differential equations is established. Then, the mean square exponential stability for the mild solution of the stochastic system with Poisson jumps is obtained with the help of an established integral inequality.

Longitudinal motion in high current ion beams: a self-consistent phase space distribution with an envelope equation

International Nuclear Information System (INIS)

Neuffer, D.

1979-03-01

Many applications of particle acceleration, such as heavy ion fusion, require longitudinal bunching of a high intensity particle beam to extremely high particle currents with correspondingly high space charge forces. This requires a precise analysis of longitudinal motion including stability analysis. Previous papers have treated the longitudinal space charge force as strictly linear, and have not been self-consistent; that is, they have not displayed a phase space distribution consistent with this linear force so that the transport of the phase space distribution could be followed, and departures from linearity could be analyzed. This is unlike the situation for transverse phase space where the Kapchinskij--Vladimirskij (K--V) distribution can be used as the basis of an analysis of transverse motion. In this paper a self-consistent particle distribution in longitudinal phase space is derived which is a solution of the Vlasov equation and an envelope equation for this solution is derived

Renormalized perturbation theory: Vlasov-Poisson System, weak turbulence limit and gyrokinetics

International Nuclear Information System (INIS)

Zhang, Y.Z.; Mahajan, S.M.

1987-10-01

The Self-consistency of the renormalized perturbation theory is demonstrated by applying it to the Vlasov-Poisson System and showing that the theory has the correct weak turbulence limit. Energy conservation is proved to arbitrary high order for the electrostatic drift waves. The theory is applied to derive renormalized equations for a low-β gyrokinetic system. Comparison of our theory with other current theories is presented. 22 refs

Decomposition of almost-Poisson structure of generalised Chaplygin's nonholonomic systems

International Nuclear Information System (INIS)

Chang, Liu; Peng, Chang; Shi-Xing, Liu; Yong-Xin, Guo

2010-01-01

This paper constructs an almost-Poisson structure for the non-self-adjoint dynamical systems, which can be decomposed into a sum of a Poisson bracket and the other almost-Poisson bracket. The necessary and sufficient condition for the decomposition of the almost-Poisson bracket to be two Poisson ones is obtained. As an application, the almost-Poisson structure for generalised Chaplygin's systems is discussed in the framework of the decomposition theory. It proves that the almost-Poisson bracket for the systems can be decomposed into the sum of a canonical Poisson bracket and another two noncanonical Poisson brackets in some special cases, which is useful for integrating the equations of motion

Lyapunov stability and poisson structure of the thermal TDHF and RPA equations

International Nuclear Information System (INIS)

Balian, R.; Veneroni, M.

1989-01-01

The thermal TDHF equation is analyzed in the Liouville representation of quantum mechanics, where the matrix elements of the single-particle (s.p) density ρ behave as classical dynamical variables. By introducing the Lie--Poisson bracket associated with the unitary group of the s.p. Hilbert space, we show that TDHF has a Hamiltonian, but non-canonical, classical form. Within this Poisson structure, either the s.p. energy or the s.p. grand potential Ω(ρ) act as a Hamilton function. The Lyapunov stability of both the TDHF and RPA equations around a HF state then follows, since the HF approximation for thermal equilibrium is determined by minimizing Ω(ρ). The RPA matrix in the Liouville space is expressed as the product of the Poisson tensor with the HF stability matrix, interpreted as a metric tensor generated by the entropy. This factorization displays the roles of the energy and entropy terms arising from Ω(ρ) in the RPA dynamics, and it helps to construct the RPA modes. Several extensions are considered. copyright 1989 Academic Press, Inc

Lyapunov stability and Poisson structure of the thermal TDHF and RPA equations

International Nuclear Information System (INIS)

Veneroni, M.; Balian, R.

1989-01-01

The thermal TDHF equation is analyzed in the Liouville representation of quantum mechanics, where the matrix elements of the single-particle (s.p.) density ρ behave as classical dynamical variables. By introducing the Lie-Poisson bracket associated with the unitary group of the s.p. Hilbert space, we show that TDHF has a hamiltonian, but non-canonical, classical form. Within this Poisson structure, either the s.p. energy or the s.p. grand potential Ω(ρ) act as a Hamilton function. The Lyapunov stability of both the TDHF and RPA equations around a HF state then follows, since the HF approximation for thermal equilibrium is determined by minimizing Ω(ρ). The RPA matrix in the Liouville space is expressed as the product of the Poisson tensor with the HF stability matrix, interpreted as a metric tensor generated by the entropy. This factorization displays the roles of the energy and entropy terms arising from Ω(ρ) in the RPA dynamics, and it helps to construct the RPA modes. Several extensions are considered

Self-consistent calculation of the coupling constant in the Gross-Pitaevskii equation

International Nuclear Information System (INIS)

Cherny, A.Yu.; Brand, J.

2004-01-01

A method is proposed for a self-consistent evaluation of the coupling constant in the Gross-Pitaevskii equation without involving a pseudopotential replacement. A renormalization of the coupling constant occurs due to medium effects and the trapping potential, e.g., in quasi-1D or quasi-2D systems. It is shown that a simplified version of the Hartree-Fock-Bogoliubov approximation leads to a variational problem for both the condensate and a two-body wave function describing the behavior of a pair of bosons in the Bose-Einstein condensate. The resulting coupled equations are free of unphysical divergences. Particular cases of this scheme that admit analytical estimations are considered and compared to the literature. In addition to the well-known cases of low-dimensional trapping, crossover regimes can be studied. The values of the kinetic, interaction, external, and release energies in low dimensions are also evaluated and contributions due to short-range correlations are found to be substantial

Direct solution of the biharmonic equation on rectangular regions and the Poisson equation on irregular regions

International Nuclear Information System (INIS)

Buzbee, B.L.; Dorr, F.W.

1974-01-01

The discrete biharmonic equation on a rectangular region and the discrete Poisson equation on an irregular region can be treated as modifications to matrix problems with very special structure. It is shown how to use the direct method of matrix decomposition to formulate an effective numerical algorithm for these problems. For typical applications the operation count is O(N 3 ) for an N x N grid. Numerical comparisons with other techniques are included. (U.S.)

Direct numerical solution of Poisson's equation in cylindrical (r, z) coordinates

International Nuclear Information System (INIS)

Chao, E.H.; Paul, S.F.; Davidson, R.C.; Fine, K.S.

1997-01-01

A direct solver method is developed for solving Poisson's equation numerically for the electrostatic potential φ(r,z) in a cylindrical region (r wall , 0 wall , z) are specified, and ∂φ/∂z = 0 at the axial boundaries (z = 0, L)

Flows of non-smooth vector fields and degenerate elliptic equations with applications to the Vlasov-Poisson and semigeostrophic systems

CERN Document Server

Colombo, Maria

2017-01-01

The first part of the book is devoted to the transport equation for a given vector field, exploiting the lagrangian structure of solutions. It also treats the regularity of solutions of some degenerate elliptic equations, which appear in the eulerian counterpart of some transport models with congestion. The second part of the book deals with the lagrangian structure of solutions of the Vlasov-Poisson system, which describes the evolution of a system of particles under the self-induced gravitational/electrostatic field, and the existence of solutions of the semigeostrophic system, used in meteorology to describe the motion of large-scale oceanic/atmospheric flows.

Semiconductor device simulation by a new method of solving poisson, Laplace and Schrodinger equations

International Nuclear Information System (INIS)

Sharifi, M. J.; Adibi, A.

2000-01-01

In this paper, we have extended and completed our previous work, that was introducing a new method for finite differentiation. We show the applicability of the method for solving a wide variety of equations such as poisson, Laplace and Schrodinger. These equations are fundamental to the most semiconductor device simulators. In a section, we solve the Shordinger equation by this method in several cases including the problem of finding electron concentration profile in the channel of a HEMT. In another section, we solve the Poisson equation by this method, choosing the problem of SBD as an example. Finally we solve the Laplace equation in two dimensions and as an example, we focus on the VED. In this paper, we have shown that, the method can get stable and precise results in solving all of these problems. Also the programs which have been written based on this method become considerably faster, more clear, and more abstract

A convergent 2D finite-difference scheme for the Dirac–Poisson system and the simulation of graphene

International Nuclear Information System (INIS)

Brinkman, D.; Heitzinger, C.; Markowich, P.A.

2014-01-01

We present a convergent finite-difference scheme of second order in both space and time for the 2D electromagnetic Dirac equation. We apply this method in the self-consistent Dirac–Poisson system to the simulation of graphene. The model is justified for low energies, where the particles have wave vectors sufficiently close to the Dirac points. In particular, we demonstrate that our method can be used to calculate solutions of the Dirac–Poisson system where potentials act as beam splitters or Veselago lenses

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

Solution of the Dirichlet Problem for the Poisson's Equation in a Multidimensional Infinite Layer

Directory of Open Access Journals (Sweden)

O. D. Algazin

2015-01-01

Full Text Available The paper considers the multidimensional Poisson equation in the domain bounded by two parallel hyperplanes (in the multidimensional infinite layer. For an n-dimensional half-space method of solving boundary value problems for linear partial differential equations with constant coefficients is a Fourier transform to the variables in the boundary hyperplane. The same method can be used for an infinite layer, as is done in this paper in the case of the Dirichlet problem for the Poisson equation. For strip and infinite layer in three-dimensional space the solutions of this problem are known. And in the three-dimensional case Green's function is written as an infinite series. In this paper, the solution is obtained in the integral form and kernels of integrals are expressed in a finite form in terms of elementary functions and Bessel functions. A recurrence relation between the kernels of integrals for n-dimensional and (n + 2 -dimensional layers was obtained. In particular, is built the Green's function of the Laplace operator for the Dirichlet problem, through which the solution of the problem is recorded. Even in three-dimensional case we obtained new formula compared to the known. It is shown that the kernel of the integral representation of the solution of the Dirichlet problem for a homogeneous Poisson equation (Laplace equation is an approximate identity (δ-shaped system of functions. Therefore, if the boundary values are generalized functions of slow growth, the solution of the Dirichlet problem for the homogeneous equation (Laplace is written as a convolution of kernels with these functions.

Which solutions of the third problem for the Poisson equation are bounded?

Czech Academy of Sciences Publication Activity Database

Medková, Dagmar

-, č. 6 (2004), s. 501-510 ISSN 1085-3375 R&D Projects: GA ČR GA201/00/1515 Institutional research plan: CEZ:AV0Z1019905 Keywords : Poisson equation * Robin problem * boundedness Subject RIV: BA - General Mathematics

POSSOL, 2-D Poisson Equation Solver for Nonuniform Grid

International Nuclear Information System (INIS)

Orvis, W.J.

1988-01-01

1 - Description of program or function: POSSOL is a two-dimensional Poisson equation solver for problems with arbitrary non-uniform gridding in Cartesian coordinates. It is an adaptation of the uniform grid PWSCRT routine developed by Schwarztrauber and Sweet at the National Center for Atmospheric Research (NCAR). 2 - Method of solution: POSSOL will solve the Helmholtz equation on an arbitrary, non-uniform grid on a rectangular domain allowing only one type of boundary condition on any one side. It can also be used to handle more than one type of boundary condition on a side by means of a capacitance matrix technique. There are three types of boundary conditions that can be applied: fixed, derivative, or periodic

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

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)

A convergent 2D finite-difference scheme for the Dirac-Poisson system and the simulation of graphene

KAUST Repository

Brinkman, Daniel; Heitzinger, Clemens Heitzinger; Markowich, Peter A.

2014-01-01

We present a convergent finite-difference scheme of second order in both space and time for the 2D electromagnetic Dirac equation. We apply this method in the self-consistent Dirac-Poisson system to the simulation of graphene. The model is justified for low energies, where the particles have wave vectors sufficiently close to the Dirac points. In particular, we demonstrate that our method can be used to calculate solutions of the Dirac-Poisson system where potentials act as beam splitters or Veselago lenses. © 2013 Elsevier Inc.

Systematic homogenization and self-consistent flux and pin power reconstruction for nodal diffusion methods. 1: Diffusion equation-based theory

International Nuclear Information System (INIS)

Zhang, H.; Rizwan-uddin; Dorning, J.J.

1995-01-01

A diffusion equation-based systematic homogenization theory and a self-consistent dehomogenization theory for fuel assemblies have been developed for use with coarse-mesh nodal diffusion calculations of light water reactors. The theoretical development is based on a multiple-scales asymptotic expansion carried out through second order in a small parameter, the ratio of the average diffusion length to the reactor characteristic dimension. By starting from the neutron diffusion equation for a three-dimensional heterogeneous medium and introducing two spatial scales, the development systematically yields an assembly-homogenized global diffusion equation with self-consistent expressions for the assembly-homogenized diffusion tensor elements and cross sections and assembly-surface-flux discontinuity factors. The rector eigenvalue 1/k eff is shown to be obtained to the second order in the small parameter, and the heterogeneous diffusion theory flux is shown to be obtained to leading order in that parameter. The latter of these two results provides a natural procedure for the reconstruction of the local fluxes and the determination of pin powers, even though homogenized assemblies are used in the global nodal diffusion calculation

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

A Poisson equation formulation for pressure calculations in penalty finite element models for viscous incompressible flows

Science.gov (United States)

Sohn, J. L.; Heinrich, J. C.

1990-01-01

The calculation of pressures when the penalty-function approximation is used in finite-element solutions of laminar incompressible flows is addressed. A Poisson equation for the pressure is formulated that involves third derivatives of the velocity field. The second derivatives appearing in the weak formulation of the Poisson equation are calculated from the C0 velocity approximation using a least-squares method. The present scheme is shown to be efficient, free of spurious oscillations, and accurate. Examples of applications are given and compared with results obtained using mixed formulations.

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.

Asymptotic solution of the Vlasov and Poisson equations for an inhomogeneous plasma

International Nuclear Information System (INIS)

Croci, R.

1991-01-01

The asymptotic solutions to a class of inhomogeneous integral equations that reduce to algebraic equations when a parameter η goes to zero (the kernel becoming proportional to a Dirac δ function) are derived. This class includes the integral equations obtained from the system of Vlasov and Poisson equations for the Fourier transform in space and the Laplace transform in time of the electrostatic potential, when the equilibrium magnetic field is uniform and the equilibrium plasma density depends on ηx, with the co-ordinate z being the direction of the magnetic field. In this case the inhomogeneous term is given by the initial conditions and possibly by sources, and the Laplace-transform variable ω is the eigenvalue parameter. (Author)

Particular solutions of generalized Euler-Poisson-Darboux equation

Directory of Open Access Journals (Sweden)

Rakhila B. Seilkhanova

2015-01-01

Full Text Available In this article we consider the generalized Euler-Poisson-Darboux equation $$ {u}_{tt}+\\frac{2\\gamma }{t}{{u}_{t}}={u}_{xx}+{u}_{yy} +\\frac{2\\alpha }{x}{{u}_{x}}+\\frac{2\\beta }{y}{{u}_y},\\quad x>0,\\;y>0,\\;t>0. $$ We construct particular solutions in an explicit form expressed by the Lauricella hypergeometric function of three variables. Properties of each constructed solutions have been investigated in sections of surfaces of the characteristic cone. Precisely, we prove that found solutions have singularity $1/r$ at $r\\to 0$, where ${{r}^2}={{( x-{{x}_0}}^2}+{{( y-{{y}_0}}^2}-{{( t-{{t}_0}}^2}$.

Team behaviour analysis in sports using the poisson equation

OpenAIRE

Direkoglu, Cem; O'Connor, Noel E.

2012-01-01

We propose a novel physics-based model for analysing team play- ers’ positions and movements on a sports playing field. The goal is to detect for each frame the region with the highest population of a given team’s players and the region towards which the team is moving as they press for territorial advancement, termed the region of intent. Given the positions of team players from a plan view of the playing field at any given time, we solve a particular Poisson equation to generate a smooth di...

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.)

Exact self-consistent solutions to the interacting spinor and scalar field equations in Bianchi type-I space-time

International Nuclear Information System (INIS)

Alvarado, R.; Rybakov, Yu.P.; Shikin, G.N.; Saha, B.

1995-01-01

Self-consistent solutions to the system of spinor and scalar field equations in General Relativity are studied for the case of Bianchi type-I space-time. The absence of initial singularity should be emphasized for some types of solutions and also the isotropic mode of space-time expansion in some special cases. 3 refs

General solution of Poisson equation in three dimensions for disk-like galaxies

International Nuclear Information System (INIS)

Tong, Y.; Zheng, X.; Peng, O.

1982-01-01

The general solution of the Poisson equation is solved by means of integral transformations for Vertical BarkVertical Barr>>1 provided that the perturbed density of disk-like galaxies distributes along the radial direction according to the Hankel function. This solution can more accurately represent the outer spiral arms of disk-like galaxies

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.)

Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions.

Science.gov (United States)

Lu, Benzhuo; Holst, Michael J; McCammon, J Andrew; Zhou, Y C

2010-09-20

In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.

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.

High-Order Finite-Difference Solution of the Poisson Equation with Interface Jump Conditions II

Science.gov (United States)

Marques, Alexandre; Nave, Jean-Christophe; Rosales, Rodolfo

2010-11-01

The Poisson equation with jump discontinuities across an interface is of central importance in Computational Fluid Dynamics. In prior work, Marques, Nave, and Rosales have introduced a method to obtain fourth-order accurate solutions for the constant coefficient Poisson problem. Here we present an extension of this method to solve the variable coefficient Poisson problem to fourth-order of accuracy. The extended method is based on local smooth extrapolations of the solution field across the interface. The extrapolation procedure uses a combination of cubic Hermite interpolants and a high-order representation of the interface using the Gradient-Augmented Level-Set technique. This procedure is compatible with the use of standard discretizations for the Laplace operator, and leads to modified linear systems which have the same sparsity pattern as the standard discretizations. As a result, standard Poisson solvers can be used with only minimal modifications. Details of the method and applications will be presented.

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

Iterative observer based method for source localization problem for Poisson equation in 3D

KAUST Repository

Majeed, Muhammad Usman; Laleg-Kirati, Taous-Meriem

2017-01-01

A state-observer based method is developed to solve point source localization problem for Poisson equation in a 3D rectangular prism with available boundary data. The technique requires a weighted sum of solutions of multiple boundary data

Dynamics of a prey-predator system under Poisson white noise excitation

Science.gov (United States)

Pan, Shan-Shan; Zhu, Wei-Qiu

2014-10-01

The classical Lotka-Volterra (LV) model is a well-known mathematical model for prey-predator ecosystems. In the present paper, the pulse-type version of stochastic LV model, in which the effect of a random natural environment has been modeled as Poisson white noise, is investigated by using the stochastic averaging method. The averaged generalized Itô stochastic differential equation and Fokker-Planck-Kolmogorov (FPK) equation are derived for prey-predator ecosystem driven by Poisson white noise. Approximate stationary solution for the averaged generalized FPK equation is obtained by using the perturbation method. The effect of prey self-competition parameter ɛ2 s on ecosystem behavior is evaluated. The analytical result is confirmed by corresponding Monte Carlo (MC) simulation.

Poisson-Nernst-Planck equations with steric effects - non-convexity and multiple stationary solutions

Science.gov (United States)

Gavish, Nir

2018-04-01

We study the existence and stability of stationary solutions of Poisson-Nernst-Planck equations with steric effects (PNP-steric equations) with two counter-charged species. We show that within a range of parameters, steric effects give rise to multiple solutions of the corresponding stationary equation that are smooth. The PNP-steric equation, however, is found to be ill-posed at the parameter regime where multiple solutions arise. Following these findings, we introduce a novel PNP-Cahn-Hilliard model, show that it is well-posed and that it admits multiple stationary solutions that are smooth and stable. The various branches of stationary solutions and their stability are mapped utilizing bifurcation analysis and numerical continuation methods.

A generalized Poisson solver for first-principles device simulations

Energy Technology Data Exchange (ETDEWEB)

Bani-Hashemian, Mohammad Hossein; VandeVondele, Joost, E-mail: joost.vandevondele@mat.ethz.ch [Nanoscale Simulations, ETH Zürich, 8093 Zürich (Switzerland); Brück, Sascha; Luisier, Mathieu [Integrated Systems Laboratory, ETH Zürich, 8092 Zürich (Switzerland)

2016-01-28

Electronic structure calculations of atomistic systems based on density functional theory involve solving the Poisson equation. In this paper, we present a plane-wave based algorithm for solving the generalized Poisson equation subject to periodic or homogeneous Neumann conditions on the boundaries of the simulation cell and Dirichlet type conditions imposed at arbitrary subdomains. In this way, source, drain, and gate voltages can be imposed across atomistic models of electronic devices. Dirichlet conditions are enforced as constraints in a variational framework giving rise to a saddle point problem. The resulting system of equations is then solved using a stationary iterative method in which the generalized Poisson operator is preconditioned with the standard Laplace operator. The solver can make use of any sufficiently smooth function modelling the dielectric constant, including density dependent dielectric continuum models. For all the boundary conditions, consistent derivatives are available and molecular dynamics simulations can be performed. The convergence behaviour of the scheme is investigated and its capabilities are demonstrated.

Advanced diffusion model in compacted bentonite based on modified Poisson-Boltzmann equations

International Nuclear Information System (INIS)

Yotsuji, K.; Tachi, Y.; Nishimaki, Y.

2012-01-01

Document available in extended abstract form only. Diffusion and sorption of radionuclides in compacted bentonite are the key processes in the safe geological disposal of radioactive waste. JAEA has developed the integrated sorption and diffusion (ISD) model for compacted bentonite by coupling the pore water chemistry, sorption and diffusion processes in consistent way. The diffusion model accounts consistently for cation excess and anion exclusion in narrow pores in compacted bentonite by the electric double layer (EDL) theory. The firstly developed ISD model could predict the diffusivity of the monovalent cation/anion in compacted bentonite as a function of dry density. This ISD model was modified by considering the visco-electric effect, and applied for diffusion data for various radionuclides measured under wide range of conditions (salinity, density, etc.). This modified ISD model can give better quantitative agreement with diffusion data for monovalent cation/anion, however, the model predictions still disagree with experimental data for multivalent cation and complex species. In this study we extract the additional key factors influencing diffusion model in narrow charged pores, and the effects of these factors were investigated to reach a better understanding of diffusion processes in compacted bentonite. We investigated here the dielectric saturation effect and the excluded volume effect into the present ISD model and numerically solved these modified Poisson-Boltzmann equations. In the vicinity of the negatively charged clay surfaces, it is necessary to evaluate concentration distribution of electrolytes considering the dielectric saturation effects. The Poisson-Boltzmann (P-B) equation coupled with the dielectric saturation effects was solved numerically by using Runge-Kutta and Shooting methods. Figure 1(a) shows the concentration distributions of Na + as numerical solutions of the modified and original P-B equations for 0.01 M pore water, 800 kg m -3

Localization of Point Sources for Poisson Equation using State Observers

KAUST Repository

Majeed, Muhammad Usman

2016-08-09

A method based On iterative observer design is presented to solve point source localization problem for Poisson equation with riven boundary data. The procedure involves solution of multiple boundary estimation sub problems using the available Dirichlet and Neumann data from different parts of the boundary. A weighted sum of these solution profiles of sub-problems localizes point sources inside the domain. Method to compute these weights is also provided. Numerical results are presented using finite differences in a rectangular domain. (C) 2016, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved.

Localization of Point Sources for Poisson Equation using State Observers

KAUST Repository

Majeed, Muhammad Usman; Laleg-Kirati, Taous-Meriem

2016-01-01

A method based On iterative observer design is presented to solve point source localization problem for Poisson equation with riven boundary data. The procedure involves solution of multiple boundary estimation sub problems using the available Dirichlet and Neumann data from different parts of the boundary. A weighted sum of these solution profiles of sub-problems localizes point sources inside the domain. Method to compute these weights is also provided. Numerical results are presented using finite differences in a rectangular domain. (C) 2016, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved.

Construction of Nodal Bubbling Solutions for the Weighted Sinh-Poisson Equation

Directory of Open Access Journals (Sweden)

Yibin Zhang

2013-01-01

Full Text Available We consider the weighted sinh-Poisson equation in , on , where is a small parameter, , and is a unit ball in . By a constructive way, we prove that for any positive integer , there exists a nodal bubbling solution which concentrates at the origin and the other -points , , such that as , , where and is an odd integer with , or is an even integer. The same techniques lead also to a more general result on general domains.

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

Comment on 'On higher order corrections to gyrokinetic Vlasov-Poisson equations in the long wavelength limit' [Phys. Plasmas 16, 044506 (2009)

International Nuclear Information System (INIS)

Parra, Felix I.; Catto, Peter J.

2009-01-01

A recent publication [F. I. Parra and P. J. Catto, Plasma Phys. Controlled Fusion 50, 065014 (2008)] warned against the use of the lower order gyrokinetic Poisson equation at long wavelengths because the long wavelength, radial electric field must remain undetermined to the order the equation is obtained. Another reference [W. W. Lee and R. A. Kolesnikov, Phys. Plasmas 16, 044506 (2009)] criticizes these results by arguing that the higher order terms neglected in the most common gyrokinetic Poisson equation are formally smaller than the terms that are retained. This argument is flawed and ignores that the lower order terms, although formally larger, must cancel without determining the long wavelength, radial electric field. The reason for this cancellation is discussed. In addition, the origin of a nonlinear term present in the gyrokinetic Poisson equation [F. I. Parra and P. J. Catto, Plasma Phys. Controlled Fusion 50, 065014 (2008)] is explained.

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.

A modified SOR method for the Poisson equation in unsteady free-surface flow calculations.

NARCIS (Netherlands)

Botta, E.F.F.; Ellenbroek, Marcellinus Hermannus Maria

1985-01-01

Convergence difficulties that sometimes occur if the successive overrelaxation (SOR) method is applied to the Poisson equation on a region with irregular free boundaries are analyzed. It is shown that these difficulties are related to the treatment of the free boundaries and caused by the appearance

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.

Finite difference method and algebraic polynomial interpolation for numerically solving Poisson's equation over arbitrary domains

Directory of Open Access Journals (Sweden)

Tsugio Fukuchi

2014-06-01

Full Text Available The finite difference method (FDM based on Cartesian coordinate systems can be applied to numerical analyses over any complex domain. A complex domain is usually taken to mean that the geometry of an immersed body in a fluid is complex; here, it means simply an analytical domain of arbitrary configuration. In such an approach, we do not need to treat the outer and inner boundaries differently in numerical calculations; both are treated in the same way. Using a method that adopts algebraic polynomial interpolations in the calculation around near-wall elements, all the calculations over irregular domains reduce to those over regular domains. Discretization of the space differential in the FDM is usually derived using the Taylor series expansion; however, if we use the polynomial interpolation systematically, exceptional advantages are gained in deriving high-order differences. In using the polynomial interpolations, we can numerically solve the Poisson equation freely over any complex domain. Only a particular type of partial differential equation, Poisson's equations, is treated; however, the arguments put forward have wider generality in numerical calculations using the FDM.

A Stabilized Finite Element Method for Modified Poisson-Nernst-Planck Equations to Determine Ion Flow Through a Nanopore

Science.gov (United States)

Chaudhry, Jehanzeb Hameed; Comer, Jeffrey; Aksimentiev, Aleksei; Olson, Luke N.

2013-01-01

The conventional Poisson-Nernst-Planck equations do not account for the finite size of ions explicitly. This leads to solutions featuring unrealistically high ionic concentrations in the regions subject to external potentials, in particular, near highly charged surfaces. A modified form of the Poisson-Nernst-Planck equations accounts for steric effects and results in solutions with finite ion concentrations. Here, we evaluate numerical methods for solving the modified Poisson-Nernst-Planck equations by modeling electric field-driven transport of ions through a nanopore. We describe a novel, robust finite element solver that combines the applications of the Newton's method to the nonlinear Galerkin form of the equations, augmented with stabilization terms to appropriately handle the drift-diffusion processes. To make direct comparison with particle-based simulations possible, our method is specifically designed to produce solutions under periodic boundary conditions and to conserve the number of ions in the solution domain. We test our finite element solver on a set of challenging numerical experiments that include calculations of the ion distribution in a volume confined between two charged plates, calculations of the ionic current though a nanopore subject to an external electric field, and modeling the effect of a DNA molecule on the ion concentration and nanopore current. PMID:24363784

An inverse source problem of the Poisson equation with Cauchy data

Directory of Open Access Journals (Sweden)

Ji-Chuan Liu

2017-05-01

Full Text Available In this article, we study an inverse source problem of the Poisson equation with Cauchy data. We want to find iterative algorithms to detect the hidden source within a body from measurements on the boundary. Our goal is to reconstruct the location, the size and the shape of the hidden source. This problem is ill-posed, regularization techniques should be employed to obtain the regularized solution. Numerical examples show that our proposed algorithms are valid and effective.

Poisson Stochastic Process and Basic Schauder and Sobolev Estimates in the Theory of Parabolic Equations

Science.gov (United States)

Krylov, N. V.; Priola, E.

2017-09-01

We show, among other things, how knowing Schauder or Sobolev-space estimates for the one-dimensional heat equation allows one to derive their multidimensional analogs for equations with coefficients depending only on the time variable with the same constants as in the case of the one-dimensional heat equation. The method is quite general and is based on using the Poisson stochastic process. It also applies to equations involving non-local operators. It looks like no other methods are available at this time and it is a very challenging problem to find a purely analytical approach to proving such results.

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

Hydrodynamic representation of the Klein-Gordon-Einstein equations in the weak field limit

International Nuclear Information System (INIS)

Suárez, Abril; Chavanis, Pierre-Henri

2015-01-01

Using a generalization of the Madelung transformation, we derive the hydrodynamic representation of the Klein-Gordon-Einstein equations in the weak field limit. We consider a complex self-interacting scalar field with an arbitrary potential of the form V(|ϕ| 2 ). We compare the results with simplified models in which the gravitational potential is introduced by hand in the Klein-Gordon equation, and assumed to satisfy a (generalized) Poisson equation. Nonrelativistic hydrodynamic equations based on the Schrodinger-Poisson equations or on the Gross-Pitaevskii-Poisson equations are recovered in the limit c → +∞. (paper)

Steric effects in the dynamics of electrolytes at large applied voltages. II. Modified Poisson-Nernst-Planck equations.

Science.gov (United States)

Kilic, Mustafa Sabri; Bazant, Martin Z; Ajdari, Armand

2007-02-01

In situations involving large potentials or surface charges, the Poisson-Boltzman (PB) equation has shortcomings because it neglects ion-ion interactions and steric effects. This has been widely recognized by the electrochemistry community, leading to the development of various alternative models resulting in different sets "modified PB equations," which have had at least qualitative success in predicting equilibrium ion distributions. On the other hand, the literature is scarce in terms of descriptions of concentration dynamics in these regimes. Here, adapting strategies developed to modify the PB equation, we propose a simple modification of the widely used Poisson-Nernst-Planck (PNP) equations for ionic transport, which at least qualitatively accounts for steric effects. We analyze numerical solutions of these modified PNP equations on the model problem of the charging of a simple electrolyte cell, and compare the outcome to that of the standard PNP equations. Finally, we repeat the asymptotic analysis of Bazant, Thornton, and Ajdari [Phys. Rev. E 70, 021506 (2004)] for this new system of equations to further document the interest and limits of validity of the simpler equivalent electrical circuit models introduced in Part I [Kilic, Bazant, and Ajdari, Phys. Rev. E 75, 021502 (2007)] for such problems.

Relative and Absolute Error Control in a Finite-Difference Method Solution of Poisson's Equation

Science.gov (United States)

Prentice, J. S. C.

2012-01-01

An algorithm for error control (absolute and relative) in the five-point finite-difference method applied to Poisson's equation is described. The algorithm is based on discretization of the domain of the problem by means of three rectilinear grids, each of different resolution. We discuss some hardware limitations associated with the algorithm,…

A high order multi-resolution solver for the Poisson equation with application to vortex methods

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Spietz, Henrik Juul; Walther, Jens Honore

A high order method is presented for solving the Poisson equation subject to mixed free-space and periodic boundary conditions by using fast Fourier transforms (FFT). The high order convergence is achieved by deriving mollified Green’s functions from a high order regularization function which...

A vectorized Poisson solver over a spherical shell and its application to the quasi-geostrophic omega-equation

Science.gov (United States)

Mullenmeister, Paul

1988-01-01

The quasi-geostrophic omega-equation in flux form is developed as an example of a Poisson problem over a spherical shell. Solutions of this equation are obtained by applying a two-parameter Chebyshev solver in vector layout for CDC 200 series computers. The performance of this vectorized algorithm greatly exceeds the performance of its scalar analog. The algorithm generates solutions of the omega-equation which are compared with the omega fields calculated with the aid of the mass continuity equation.

A Generalized FDM for solving the Poisson's Equation on 3D Irregular Domains

Directory of Open Access Journals (Sweden)

J. Izadian

2014-01-01

Full Text Available In this paper a new method for solving the Poisson's equation with Dirichlet conditions on irregular domains is presented. For this purpose a generalized finite differences method is applied for numerical differentiation on irregular meshes. Three examples on cylindrical and spherical domains are considered. The numerical results are compared with analytical solution. These results show the performance and efficiency of the proposed method.

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 Approach to Global Charge Neutrality in Electrokinetics: A Surface Potential Trap Model

Directory of Open Access Journals (Sweden)

Li Wan

2014-03-01

Full Text Available In this work, we treat the Poisson-Nernst-Planck (PNP equations as the basis for a consistent framework of the electrokinetic effects. The static limit of the PNP equations is shown to be the charge-conserving Poisson-Boltzmann (CCPB equation, with guaranteed charge neutrality within the computational domain. We propose a surface potential trap model that attributes an energy cost to the interfacial charge dissociation. In conjunction with the CCPB, the surface potential trap can cause a surface-specific adsorbed charge layer σ. By defining a chemical potential μ that arises from the charge neutrality constraint, a reformulated CCPB can be reduced to the form of the Poisson-Boltzmann equation, whose prediction of the Debye screening layer profile is in excellent agreement with that of the Poisson-Boltzmann equation when the channel width is much larger than the Debye length. However, important differences emerge when the channel width is small, so the Debye screening layers from the opposite sides of the channel overlap with each other. In particular, the theory automatically yields a variation of σ that is generally known as the “charge regulation” behavior, attendant with predictions of force variation as a function of nanoscale separation between two charged surfaces that are in good agreement with the experiments, with no adjustable or additional parameters. We give a generalized definition of the ζ potential that reflects the strength of the electrokinetic effect; its variations with the concentration of surface-specific and surface-nonspecific salt ions are shown to be in good agreement with the experiments. To delineate the behavior of the electro-osmotic (EO effect, the coupled PNP and Navier-Stokes equations are solved numerically under an applied electric field tangential to the fluid-solid interface. The EO effect is shown to exhibit an intrinsic time dependence that is noninertial in its origin. Under a step-function applied

Response to Comment on 'On Higher-Order Corrections to Gyrokinetic Vlasov-Poisson Equations in the Long Wavelength Limit [Phys. Plasmas 16,044506 (2009)]'

International Nuclear Information System (INIS)

Lee, W.W.; Kolesnikov, R.A.

2009-01-01

We show in this Response that the nonlinear Poisson's equation in our original paper derived from the drift kinetic approach can be verified by using the nonlinear gyrokinetic Poisson's equation of Dubin et al. (Phys. Fluids 26, 3524 (1983)). This nonlinear contribution in φ 2 is indeed of the order of k # perpendicular# 4 in the long wavelength limit and remains finite for zero ion temperature, in contrast to the nonlinear term by Parra and Catto (Plasma Phys. Control. Fusion 50, 065014 (2008)), which is of the order of k # perpendicular# 2 and diverges for T i → 0. For comparison, the leading term for the gyrokinetic Poisson's equation in this limit is of the order of k # perpendicular# 2 φ.

Nonlinear conformally invariant generalization of the Poisson equation to D>2 dimensions

International Nuclear Information System (INIS)

Milgrom, M.

1997-01-01

I propound a nonlinear generalization of the scalar-field Poisson equation [(var-phi , i var-phi ,i ) D/2-1 var-phi ; k ] ;k ∝ρ, in curved D-dimensional space. It is derivable from the Lagrangian density L D =L f D -Aρ var-phi, with L f D ∝-(var-phi , i var-phi ,i ) D/2 , and ρ the distribution of sources. Specializing to Euclidean spaces, where the field equation is ∇·(|∇ var-phi | D-2 ∇ var-phi)∝ρ, I find that L f D is the only conformally invariant (CI) Lagrangian in D dimensions, containing only first derivatives of var-phi, beside the free Lagrangian (∇ var-phi) 2 , which underlies the Laplace equation. When var-phi is coupled to the sources in the above manner, L D is left as the only CI Lagrangian. The symmetry is one's only recourse in solving this nonlinear theory for some nontrivial configurations. Systems comprising N point charges are special and afford further application of the symmetry. In spite of the CI, the energy function for such a system is not invariant under conformal transformations of the charges' positions. The anomalous transformation properties of the energy stem from effects of the self-energies of the charges. It follows from these that the forces F i on the charges q i at positions r i must satisfy certain constraints beside the vanishing of the net force and net moment: e.g., summation i r i ·F i must equal some given function of the charges. The constraints total (D+1)(D+2)/2, which tallies with the dimension of the conformal group in D dimensions. Among other things I use all these to derive exact expressions for the following quantities: (1) The general two-point-charge force. (Abstract Truncated)

Self-modulated dynamics of a relativistic charged particle beam in plasma wake field excitation

Energy Technology Data Exchange (ETDEWEB)

Akhter, T.; Fedele, R. [Dipartimento di Fisica ‘Ettore Pancini’, Università di Napoli Federico II and INFN Sezione di Napoli, Napoli (Italy); Nicola, S. De [CNR-SPIN and INFN Sezione di Napoli, Napoli (Italy); Tanjia, F. [Dipartimento di Fisica ‘Ettore Pancini’, Università di Napoli Federico II and INFN Sezione di Napoli, Napoli (Italy); Jovanović, D. [Institute of Physics, University of Belgrade, Belgrade (Serbia); Mannan, A. [Department of Physics, Jahangirnagar University, Savar, Dhaka (Bangladesh)

2016-09-01

The self-modulated dynamics of a relativistic charged particle beam is provided within the context of the theory of plasma wake field excitation. The self-consistent description of the beam dynamics is provided by coupling the Vlasov equation with a Poisson-type equation relating the plasma wake potential to the beam density. An analysis of the beam envelope self-modulation is then carried out and the criteria for the occurrence of the instability are discussed thereby.

Discrete maximum principle for Poisson equation with mixed boundary conditions solved by hp-FEM

Czech Academy of Sciences Publication Activity Database

Vejchodský, Tomáš; Šolín, P.

2009-01-01

Roč. 1, č. 2 (2009), s. 201-214 ISSN 2070-0733 R&D Projects: GA AV ČR IAA100760702; GA ČR(CZ) GA102/07/0496; GA ČR GA102/05/0629 Institutional research plan: CEZ:AV0Z10190503 Keywords : discrete maximum principle * hp-FEM * Poisson equation * mixed boundary conditions Subject RIV: BA - General Mathematics

SMPBS: Web server for computing biomolecular electrostatics using finite element solvers of size modified Poisson-Boltzmann equation.

Science.gov (United States)

Xie, Yang; Ying, Jinyong; Xie, Dexuan

2017-03-30

SMPBS (Size Modified Poisson-Boltzmann Solvers) is a web server for computing biomolecular electrostatics using finite element solvers of the size modified Poisson-Boltzmann equation (SMPBE). SMPBE not only reflects ionic size effects but also includes the classic Poisson-Boltzmann equation (PBE) as a special case. Thus, its web server is expected to have a broader range of applications than a PBE web server. SMPBS is designed with a dynamic, mobile-friendly user interface, and features easily accessible help text, asynchronous data submission, and an interactive, hardware-accelerated molecular visualization viewer based on the 3Dmol.js library. In particular, the viewer allows computed electrostatics to be directly mapped onto an irregular triangular mesh of a molecular surface. Due to this functionality and the fast SMPBE finite element solvers, the web server is very efficient in the calculation and visualization of electrostatics. In addition, SMPBE is reconstructed using a new objective electrostatic free energy, clearly showing that the electrostatics and ionic concentrations predicted by SMPBE are optimal in the sense of minimizing the objective electrostatic free energy. SMPBS is available at the URL: smpbs.math.uwm.edu © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Weak self-adjoint differential equations

International Nuclear Information System (INIS)

Gandarias, M L

2011-01-01

The concepts of self-adjoint and quasi self-adjoint equations were introduced by Ibragimov (2006 J. Math. Anal. Appl. 318 742-57; 2007 Arch. ALGA 4 55-60). In Ibragimov (2007 J. Math. Anal. Appl. 333 311-28), a general theorem on conservation laws was proved. In this paper, we generalize the concept of self-adjoint and quasi self-adjoint equations by introducing the definition of weak self-adjoint equations. We find a class of weak self-adjoint quasi-linear parabolic equations. The property of a differential equation to be weak self-adjoint is important for constructing conservation laws associated with symmetries of the differential equation. (fast track communication)

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

General form of the Euler-Poisson-Darboux equation and application of the transmutation method

Directory of Open Access Journals (Sweden)

Elina L. Shishkina

2017-07-01

Full Text Available In this article, we find solution representations in the compact integral form to the Cauchy problem for a general form of the Euler-Poisson-Darboux equation with Bessel operators via generalized translation and spherical mean operators for all values of the parameter k, including also not studying before exceptional odd negative values. We use a Hankel transform method to prove results in a unified way. Under additional conditions we prove that a distributional solution is a classical one too. A transmutation property for connected generalized spherical mean is proved and importance of applying transmutation methods for differential equations with Bessel operators is emphasized. The paper also contains a short historical introduction on differential equations with Bessel operators and a rather detailed reference list of monographs and papers on mathematical theory and applications of this class of differential equations.

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)

Self-consistent predictor/corrector algorithms for stable and efficient integration of the time-dependent Kohn-Sham equation

Science.gov (United States)

Zhu, Ying; Herbert, John M.

2018-01-01

The "real time" formulation of time-dependent density functional theory (TDDFT) involves integration of the time-dependent Kohn-Sham (TDKS) equation in order to describe the time evolution of the electron density following a perturbation. This approach, which is complementary to the more traditional linear-response formulation of TDDFT, is more efficient for computation of broad-band spectra (including core-excited states) and for systems where the density of states is large. Integration of the TDKS equation is complicated by the time-dependent nature of the effective Hamiltonian, and we introduce several predictor/corrector algorithms to propagate the density matrix, one of which can be viewed as a self-consistent extension of the widely used modified-midpoint algorithm. The predictor/corrector algorithms facilitate larger time steps and are shown to be more efficient despite requiring more than one Fock build per time step, and furthermore can be used to detect a divergent simulation on-the-fly, which can then be halted or else the time step modified.

Analytic Approximation of the Solutions of Stochastic Differential Delay Equations with Poisson Jump and Markovian Switching

Directory of Open Access Journals (Sweden)

Hua Yang

2012-01-01

Full Text Available We are concerned with the stochastic differential delay equations with Poisson jump and Markovian switching (SDDEsPJMSs. Most SDDEsPJMSs cannot be solved explicitly as stochastic differential equations. Therefore, numerical solutions have become an important issue in the study of SDDEsPJMSs. The key contribution of this paper is to investigate the strong convergence between the true solutions and the numerical solutions to SDDEsPJMSs when the drift and diffusion coefficients are Taylor approximations.

Transient finite element analysis of electric double layer using Nernst-Planck-Poisson equations with a modified Stern layer.

Science.gov (United States)

Lim, Jongil; Whitcomb, John; Boyd, James; Varghese, Julian

2007-01-01

A finite element implementation of the transient nonlinear Nernst-Planck-Poisson (NPP) and Nernst-Planck-Poisson-modified Stern (NPPMS) models is presented. The NPPMS model uses multipoint constraints to account for finite ion size, resulting in realistic ion concentrations even at high surface potential. The Poisson-Boltzmann equation is used to provide a limited check of the transient models for low surface potential and dilute bulk solutions. The effects of the surface potential and bulk molarity on the electric potential and ion concentrations as functions of space and time are studied. The ability of the models to predict realistic energy storage capacity is investigated. The predicted energy is much more sensitive to surface potential than to bulk solution molarity.

Self-consistent collisional-radiative model for hydrogen atoms: Atom–atom interaction and radiation transport

International Nuclear Information System (INIS)

Colonna, G.; Pietanza, L.D.; D’Ammando, G.

2012-01-01

Graphical abstract: Self-consistent coupling between radiation, state-to-state kinetics, electron kinetics and fluid dynamics. Highlight: ► A CR model of shock-wave in hydrogen plasma has been presented. ► All equations have been coupled self-consistently. ► Non-equilibrium electron and level distributions are obtained. ► The results show non-local effects and non-equilibrium radiation. - Abstract: A collisional-radiative model for hydrogen atom, coupled self-consistently with the Boltzmann equation for free electrons, has been applied to model a shock tube. The kinetic model has been completed considering atom–atom collisions and the vibrational kinetics of the ground state of hydrogen molecules. The atomic level kinetics has been also coupled with a radiative transport equation to determine the effective adsorption and emission coefficients and non-local energy transfer.

Fast Poisson Solvers for Self-Consistent Beam-Beam and Space-Charge Field Computation in Multiparticle Tracking Simulations

CERN Document Server

Florio, Adrien; Pieloni, Tatiana; CERN. Geneva. ATS Department

2015-01-01

We present two different approaches to solve the 2-dimensional electrostatic problem with open boundary conditions to be used in fast tracking codes for beam-beam and space charge simulations in high energy accelerators. We compare a fast multipoles method with a hybrid Poisson solver based on the fast Fourier transform and finite differences in polar coordinates. We show that the latter outperforms the first in terms of execution time and precision, allowing for a reduction of the noise in the tracking simulation. Furthermore the new algorithm is shown to scale linearly on parallel architectures with shared memory. We conclude by effectively replacing the HFMM by the new Poisson solver in the COMBI code.

The Fractional Poisson Process and the Inverse Stable Subordinator

OpenAIRE

Meerschaert, Mark; Nane, Erkan; Vellaisamy, P.

2011-01-01

The fractional Poisson process is a renewal process with Mittag-Leffler waiting times. Its distributions solve a time-fractional analogue of the Kolmogorov forward equation for a Poisson process. This paper shows that a traditional Poisson process, with the time variable replaced by an independent inverse stable subordinator, is also a fractional Poisson process. This result unifies the two main approaches in the stochastic theory of time-fractional diffusion equations. The equivalence extend...

A nonlinear equation for ionic diffusion in a strong binary electrolyte

Science.gov (United States)

Ghosal, Sandip; Chen, Zhen

2010-01-01

The problem of the one-dimensional electro-diffusion of ions in a strong binary electrolyte is considered. The mathematical description, known as the Poisson–Nernst–Planck (PNP) system, consists of a diffusion equation for each species augmented by transport owing to a self-consistent electrostatic field determined by the Poisson equation. This description is also relevant to other important problems in physics, such as electron and hole diffusion across semiconductor junctions and the diffusion of ions in plasmas. If concentrations do not vary appreciably over distances of the order of the Debye length, the Poisson equation can be replaced by the condition of local charge neutrality first introduced by Planck. It can then be shown that both species diffuse at the same rate with a common diffusivity that is intermediate between that of the slow and fast species (ambipolar diffusion). Here, we derive a more general theory by exploiting the ratio of the Debye length to a characteristic length scale as a small asymptotic parameter. It is shown that the concentration of either species may be described by a nonlinear partial differential equation that provides a better approximation than the classical linear equation for ambipolar diffusion, but reduces to it in the appropriate limit. PMID:21818176

Singular Poisson tensors

International Nuclear Information System (INIS)

Littlejohn, R.G.

1982-01-01

The Hamiltonian structures discovered by Morrison and Greene for various fluid equations were obtained by guessing a Hamiltonian and a suitable Poisson bracket formula, expressed in terms of noncanonical (but physical) coordinates. In general, such a procedure for obtaining a Hamiltonian system does not produce a Hamiltonian phase space in the usual sense (a symplectic manifold), but rather a family of symplectic manifolds. To state the matter in terms of a system with a finite number of degrees of freedom, the family of symplectic manifolds is parametrized by a set of Casimir functions, which are characterized by having vanishing Poisson brackets with all other functions. The number of independent Casimir functions is the corank of the Poisson tensor J/sup ij/, the components of which are the Poisson brackets of the coordinates among themselves. Thus, these Casimir functions exist only when the Poisson tensor is singular

A discontinuous Poisson-Boltzmann equation with interfacial jump: homogenisation and residual error estimate.

Science.gov (United States)

Fellner, Klemens; Kovtunenko, Victor A

2016-01-01

A nonlinear Poisson-Boltzmann equation with inhomogeneous Robin type boundary conditions at the interface between two materials is investigated. The model describes the electrostatic potential generated by a vector of ion concentrations in a periodic multiphase medium with dilute solid particles. The key issue stems from interfacial jumps, which necessitate discontinuous solutions to the problem. Based on variational techniques, we derive the homogenisation of the discontinuous problem and establish a rigorous residual error estimate up to the first-order correction.

The Kramers-Kronig relations for usual and anomalous Poisson-Nernst-Planck models

OpenAIRE

Evangelista, Luiz Roberto; Lenzi, Ervin Kaminski; Barbero, Giovanni

2013-01-01

The consistency of the frequency response predicted by a class of electrochemical impedance expressions is analytically checked by invoking the Kramers-Kronig (KK) relations. These expressions are obtained in the context of Poisson-Nernst-Planck usual (PNP) or anomalous (PNPA) diffusional models that satisfy Poisson's equation in a finite-length situation. The theoretical results, besides being successful in interpreting experimental data, are also shown to obey the KK relations when these re...

The Kramers-Kronig relations for usual and anomalous Poisson-Nernst-Planck models.

Science.gov (United States)

Evangelista, Luiz Roberto; Lenzi, Ervin Kaminski; Barbero, Giovanni

2013-11-20

The consistency of the frequency response predicted by a class of electrochemical impedance expressions is analytically checked by invoking the Kramers-Kronig (KK) relations. These expressions are obtained in the context of Poisson-Nernst-Planck usual or anomalous diffusional models that satisfy Poisson's equation in a finite length situation. The theoretical results, besides being successful in interpreting experimental data, are also shown to obey the KK relations when these relations are modified accordingly.

DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution.

Science.gov (United States)

Womack, James C; Anton, Lucian; Dziedzic, Jacek; Hasnip, Phil J; Probert, Matt I J; Skylaris, Chris-Kriton

2018-03-13

The solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential-a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the Poisson equation, featuring nonhomogeneous dielectric permittivities, ionic concentrations with nonlinear dependencies, and diverse boundary conditions. The analytic solutions generally used to solve the Poisson equation in vacuum (or with homogeneous permittivity) are not applicable in these circumstances, and numerical methods must be used. In this work, we present DL_MG, a flexible, scalable, and accurate solver library, developed specifically to tackle the challenges of solving the Poisson equation in modern large-scale electronic structure calculations on parallel computers. Our solver is based on the multigrid approach and uses an iterative high-order defect correction method to improve the accuracy of solutions. Using two chemically relevant model systems, we tested the accuracy and computational performance of DL_MG when solving the generalized Poisson and Poisson-Boltzmann equations, demonstrating excellent agreement with analytic solutions and efficient scaling to ∼10 9 unknowns and 100s of CPU cores. We also applied DL_MG in actual large-scale electronic structure calculations, using the ONETEP linear-scaling electronic structure package to study a 2615 atom protein-ligand complex with routinely available computational resources. In these calculations, the overall execution time with DL_MG was not significantly greater than the time required for calculations using a conventional FFT-based solver.

ColDICE: A parallel Vlasov–Poisson solver using moving adaptive simplicial tessellation

International Nuclear Information System (INIS)

Sousbie, Thierry; Colombi, Stéphane

2016-01-01

Resolving numerically Vlasov–Poisson equations for initially cold systems can be reduced to following the evolution of a three-dimensional sheet evolving in six-dimensional phase-space. We describe a public parallel numerical algorithm consisting in representing the phase-space sheet with a conforming, self-adaptive simplicial tessellation of which the vertices follow the Lagrangian equations of motion. The algorithm is implemented both in six- and four-dimensional phase-space. Refinement of the tessellation mesh is performed using the bisection method and a local representation of the phase-space sheet at second order relying on additional tracers created when needed at runtime. In order to preserve in the best way the Hamiltonian nature of the system, refinement is anisotropic and constrained by measurements of local Poincaré invariants. Resolution of Poisson equation is performed using the fast Fourier method on a regular rectangular grid, similarly to particle in cells codes. To compute the density projected onto this grid, the intersection of the tessellation and the grid is calculated using the method of Franklin and Kankanhalli [65–67] generalised to linear order. As preliminary tests of the code, we study in four dimensional phase-space the evolution of an initially small patch in a chaotic potential and the cosmological collapse of a fluctuation composed of two sinusoidal waves. We also perform a “warm” dark matter simulation in six-dimensional phase-space that we use to check the parallel scaling of the code.

ColDICE: A parallel Vlasov–Poisson solver using moving adaptive simplicial tessellation

Energy Technology Data Exchange (ETDEWEB)

Sousbie, Thierry, E-mail: tsousbie@gmail.com [Institut d' Astrophysique de Paris, CNRS UMR 7095 and UPMC, 98bis, bd Arago, F-75014 Paris (France); Department of Physics, The University of Tokyo, Tokyo 113-0033 (Japan); Research Center for the Early Universe, School of Science, The University of Tokyo, Tokyo 113-0033 (Japan); Colombi, Stéphane, E-mail: colombi@iap.fr [Institut d' Astrophysique de Paris, CNRS UMR 7095 and UPMC, 98bis, bd Arago, F-75014 Paris (France); Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan)

2016-09-15

Resolving numerically Vlasov–Poisson equations for initially cold systems can be reduced to following the evolution of a three-dimensional sheet evolving in six-dimensional phase-space. We describe a public parallel numerical algorithm consisting in representing the phase-space sheet with a conforming, self-adaptive simplicial tessellation of which the vertices follow the Lagrangian equations of motion. The algorithm is implemented both in six- and four-dimensional phase-space. Refinement of the tessellation mesh is performed using the bisection method and a local representation of the phase-space sheet at second order relying on additional tracers created when needed at runtime. In order to preserve in the best way the Hamiltonian nature of the system, refinement is anisotropic and constrained by measurements of local Poincaré invariants. Resolution of Poisson equation is performed using the fast Fourier method on a regular rectangular grid, similarly to particle in cells codes. To compute the density projected onto this grid, the intersection of the tessellation and the grid is calculated using the method of Franklin and Kankanhalli [65–67] generalised to linear order. As preliminary tests of the code, we study in four dimensional phase-space the evolution of an initially small patch in a chaotic potential and the cosmological collapse of a fluctuation composed of two sinusoidal waves. We also perform a “warm” dark matter simulation in six-dimensional phase-space that we use to check the parallel scaling of the code.

Quasistationary model of high-current relativistic electron beam. 1. Exact solution of Poisson equations

International Nuclear Information System (INIS)

Brenner, S.E.; Gandyl', E.M.; Podkopaev, A.P.

1995-01-01

The dynamics of high-current relativistic electron beam moving trough the cylindrical drift space has been modelled by the large particles, the shape of which allows to solve the Poisson equations exactly, and in such a way to avoid the linearization being usually used in those problems. The expressions for the components of own electric field of electron beam passing through the cylindrical drift space have been obtained. (author). 11 refs., 1 fig

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

Self-Consistent Theory of Shot Noise Suppression in Ballistic Conductors

Science.gov (United States)

Bulashenko, O. M.; Rubí, J. M.; Kochelap, V. A.

Shot-noise measurements become a fundamental tool to probe carrier interactions in mesoscopic systems [1]. A matter of particular interest is the significance of Coulomb interaction which may keep nearby electrons more regularly spaced rather than strictly at random and lead to the noise reduction. That effect occurs in different physical situations. Among them are charge-limited ballistic transport, resonant tunneling, single-electron tunneling, etc. In this communication we address the problem of Coulomb correlations in ballistic conductors under the space-charge-limited transport conditions, and present for the first time a semiclassical self-consistent theory of shot noise in these conductors by solving analytically the kinetic equation coupled self-consistently with a Poisson equation. Basing upon this theory, exact results for current noise in a two-terminal ballistic conductor under the action of long-range Coulomb correlations has been derived. The noise reduction factor (in respect to the uncorrelated value) is obtained in a closed analytical form for a full range of biases ranging from thermal to shot-noise limits which describe perfectly the results of the Monte Carlo simulations for a nondegenerate electron gas [2]. The magnitude of the noise reduction exceeds 0.01, which is of interest from the point of view of possible applications. Using these analytical results one may estimate a relative contribution to the noise from different groups of carriers (in energy space and/or real space) and to investigate in great detail the correlations between different groups of carriers. This leads us to suggest an electron energy spectroscopy experiment to probe the Coulomb correlations in ballistic conductors. Indeed, while the injected carriers are uncorrelated, those in the volume of the conductor are strongly correlated, as follows from the derived formulas for the fluctuation of the distribution function. Those correlations may be observed experimentally by

Statistical mechanics of stochastic neural networks: Relationship between the self-consistent signal-to-noise analysis, Thouless-Anderson-Palmer equation, and replica symmetric calculation approaches

International Nuclear Information System (INIS)

Shiino, Masatoshi; Yamana, Michiko

2004-01-01

We study the statistical mechanical aspects of stochastic analog neural network models for associative memory with correlation type learning. We take three approaches to derive the set of the order parameter equations for investigating statistical properties of retrieval states: the self-consistent signal-to-noise analysis (SCSNA), the Thouless-Anderson-Palmer (TAP) equation, and the replica symmetric calculation. On the basis of the cavity method the SCSNA can be generalized to deal with stochastic networks. We establish the close connection between the TAP equation and the SCSNA to elucidate the relationship between the Onsager reaction term of the TAP equation and the output proportional term of the SCSNA that appear in the expressions for the local fields

Poisson equations of rotational motion for a rigid triaxial body with application to a tumbling artificial satellite

Science.gov (United States)

Liu, J. J. F.; Fitzpatrick, P. M.

1975-01-01

A mathematical model is developed for studying the effects of gravity gradient torque on the attitude stability of a tumbling triaxial rigid satellite. Poisson equations are used to investigate the rotation of the satellite (which is in elliptical orbit about an attracting point mass) about its center of mass. An averaging method is employed to obtain an intermediate set of differential equations for the nonresonant, secular behavior of the osculating elements which describe the rotational motions of the satellite, and the averaged equations are then integrated to obtain long-term secular solutions for the osculating elements.

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 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)

Multivariate fractional Poisson processes and compound sums

OpenAIRE

Beghin, Luisa; Macci, Claudio

2015-01-01

In this paper we present multivariate space-time fractional Poisson processes by considering common random time-changes of a (finite-dimensional) vector of independent classical (non-fractional) Poisson processes. In some cases we also consider compound processes. We obtain some equations in terms of some suitable fractional derivatives and fractional difference operators, which provides the extension of known equations for the univariate processes.

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...

An exterior Poisson solver using fast direct methods and boundary integral equations with applications to nonlinear potential flow

Science.gov (United States)

Young, D. P.; Woo, A. C.; Bussoletti, J. E.; Johnson, F. T.

1986-01-01

A general method is developed combining fast direct methods and boundary integral equation methods to solve Poisson's equation on irregular exterior regions. The method requires O(N log N) operations where N is the number of grid points. Error estimates are given that hold for regions with corners and other boundary irregularities. Computational results are given in the context of computational aerodynamics for a two-dimensional lifting airfoil. Solutions of boundary integral equations for lifting and nonlifting aerodynamic configurations using preconditioned conjugate gradient are examined for varying degrees of thinness.

The q-deformed mKP hierarchy with self-consistent sources, Wronskian solutions and solitons

International Nuclear Information System (INIS)

Lin Runliang; Peng Hua; Manas, Manuel

2010-01-01

Based on the eigenfunction symmetry constraint of the q-deformed modified KP hierarchy, a q-deformed mKP hierarchy with self-consistent sources (q-mKPHSCSs) is constructed. The q-mKPHSCSs contain two types of q-deformed mKP equation with self-consistent sources. By the combination of the dressing method and the method of variation of constants, a generalized dressing approach is proposed to solve the q-deformed KP hierarchy with self-consistent sources (q-KPHSCSs). Using the gauge transformation between the q-KPHSCSs and the q-mKPHSCSs, the q-deformed Wronskian solutions for the q-KPHSCSs and the q-mKPHSCSs are obtained. The one-soliton solutions for the q-deformed KP (mKP) equation with a source are given explicitly.

Non-isothermal Smoluchowski-Poisson equation as a singular limit of the Navier-Stokes-Fourier-Poisson system

Czech Academy of Sciences Publication Activity Database

Feireisl, Eduard; Laurençot, P.

2007-01-01

Roč. 88, - (2007), s. 325-349 ISSN 0021-7824 R&D Projects: GA ČR GA201/05/0164 Institutional research plan: CEZ:AV0Z10190503 Keywords : Navier-Stokes-Fourier- Poisson system * Smoluchowski- Poisson system * singular limit Subject RIV: BA - General Mathematics Impact factor: 1.118, year: 2007

Consistent three-equation model for thin films

Science.gov (United States)

Richard, Gael; Gisclon, Marguerite; Ruyer-Quil, Christian; Vila, Jean-Paul

2017-11-01

Numerical simulations of thin films of newtonian fluids down an inclined plane use reduced models for computational cost reasons. These models are usually derived by averaging over the fluid depth the physical equations of fluid mechanics with an asymptotic method in the long-wave limit. Two-equation models are based on the mass conservation equation and either on the momentum balance equation or on the work-energy theorem. We show that there is no two-equation model that is both consistent and theoretically coherent and that a third variable and a three-equation model are required to solve all theoretical contradictions. The linear and nonlinear properties of two and three-equation models are tested on various practical problems. We present a new consistent three-equation model with a simple mathematical structure which allows an easy and reliable numerical resolution. The numerical calculations agree fairly well with experimental measurements or with direct numerical resolutions for neutral stability curves, speed of kinematic waves and of solitary waves and depth profiles of wavy films. The model can also predict the flow reversal at the first capillary trough ahead of the main wave hump.

A Seemingly Unrelated Poisson Regression Model

OpenAIRE

King, Gary

1989-01-01

This article introduces a new estimator for the analysis of two contemporaneously correlated endogenous event count variables. This seemingly unrelated Poisson regression model (SUPREME) estimator combines the efficiencies created by single equation Poisson regression model estimators and insights from "seemingly unrelated" linear regression models.

Self-similarity in the equation of motion of a ship

Directory of Open Access Journals (Sweden)

Gyeong Joong Lee

2014-06-01

Full Text Available If we want to analyze the motion of a body in fluid, we should use rigid-body dynamics and fluid dynamics together. Even if the rigid-body and fluid dynamics are each self-consistent, there arises the problem of self-similar structure in the equation of motion when the two dynamics are coupled with each other. When the added mass is greater than the mass of a body, the calculated motion is divergent because of its self-similar structure. This study showed that the above problem is an inherent problem. This problem of self-similar structure may arise in the equation of motion in which the fluid dynamic forces are treated as external forces on the right hand side of the equation. A reconfiguration technique for the equation of motion using pseudo-added-mass was proposed to resolve the self-similar structure problem; specifically for the case when the fluid force is expressed by integration of the fluid pressure.

Transport Equations Resolution By N-BEE Anti-Dissipative Scheme In 2D Model Of Low Pressure Glow Discharge

International Nuclear Information System (INIS)

Kraloua, B.; Hennad, A.

2008-01-01

The aim of this paper is to determine electric and physical properties by 2D modelling of glow discharge low pressure in continuous regime maintained by term constant source. This electric discharge is confined in reactor plan-parallel geometry. This reactor is filled by Argon monatomic gas. Our continuum model the order two is composed the first three moments the Boltzmann's equations coupled with Poisson's equation by self consistent method. These transport equations are discretized by the finite volumes method. The equations system is resolved by a new technique, it is about the N-BEE explicit scheme using the time splitting method.

Self-Consistent System of Equations for a Kinetic Description of the Low-Pressure Discharges Accounting for the Nonlocal and Collisionless Electron Dynamics

International Nuclear Information System (INIS)

Kaganovich, Igor D.; Polomarov, Oleg

2003-01-01

In low-pressure discharges, when the electron mean free path is larger or comparable with the discharge length, the electron dynamics is essentially non-local. Moreover, the electron energy distribution function (EEDF) deviates considerably from a Maxwellian. Therefore, an accurate kinetic description of the low-pressure discharges requires knowledge of the non-local conductivity operator and calculation of the non-Maxwellian EEDF. The previous treatments made use of simplifying assumptions: a uniform density profile and a Maxwellian EEDF. In the present study a self-consistent system of equations for the kinetic description of nonlocal, non-uniform, nearly collisionless plasmas of low-pressure discharges is derived. It consists of the nonlocal conductivity operator and the averaged kinetic equation for calculation of the non-Maxwellian EEDF. The importance of accounting for the non-uniform plasma density profile on both the current density profile and the EEDF is demonstrated

Penyelesaian Persamaan Poisson 2D dengan Menggunakan Metode Gauss-Seidel dan Conjugate Gradien

OpenAIRE

Mahmudah, Dewi Erla; Naf'an, Muhammad Zidny

2017-01-01

In this paper we focus on solution of 2D Poisson equation numerically. 2D Poisson equation is a partial differential equation of second order elliptical type. This equation is a particular form or non-homogeneous form of the Laplace equation. The solution of 2D Poisson equation is performed numerically using Gauss Seidel method and Conjugate Gradient method. The result is the value using Gauss Seidel method and Conjugate Gradient method is same. But, consider the iteration process, the conver...

A heterogeneous CPU+GPU Poisson solver for space charge calculations in beam dynamics studies

Energy Technology Data Exchange (ETDEWEB)

Zheng, Dawei; Rienen, Ursula van [University of Rostock, Institute of General Electrical Engineering (Germany)

2016-07-01

In beam dynamics studies in accelerator physics, space charge plays a central role in the low energy regime of an accelerator. Numerical space charge calculations are required, both, in the design phase and in the operation of the machines as well. Due to its efficiency, mostly the Particle-In-Cell (PIC) method is chosen for the space charge calculation. Then, the solution of Poisson's equation for the charge distribution in the rest frame is the most prominent part within the solution process. The Poisson solver directly affects the accuracy of the self-field applied on the charged particles when the equation of motion is solved in the laboratory frame. As the Poisson solver consumes the major part of the computing time in most simulations it has to be as fast as possible since it has to be carried out once per time step. In this work, we demonstrate a novel heterogeneous CPU+GPU routine for the Poisson solver. The novel solver also benefits from our new research results on the utilization of a discrete cosine transform within the classical Hockney and Eastwood's convolution routine.

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.

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)

High order Poisson Solver for unbounded flows

DEFF Research Database (Denmark)

Hejlesen, Mads Mølholm; Rasmussen, Johannes Tophøj; Chatelain, Philippe

2015-01-01

This paper presents a high order method for solving the unbounded Poisson equation on a regular mesh using a Green’s function solution. The high order convergence was achieved by formulating mollified integration kernels, that were derived from a filter regularisation of the solution field....... The method was implemented on a rectangular domain using fast Fourier transforms (FFT) to increase computational efficiency. The Poisson solver was extended to directly solve the derivatives of the solution. This is achieved either by including the differential operator in the integration kernel...... the equations of fluid mechanics as an example, but can be used in many physical problems to solve the Poisson equation on a rectangular unbounded domain. For the two-dimensional case we propose an infinitely smooth test function which allows for arbitrary high order convergence. Using Gaussian smoothing...

A fast Poisson solver for unsteady incompressible Navier-Stokes equations on the half-staggered grid

Science.gov (United States)

Golub, G. H.; Huang, L. C.; Simon, H.; Tang, W. -P.

1995-01-01

In this paper, a fast Poisson solver for unsteady, incompressible Navier-Stokes equations with finite difference methods on the non-uniform, half-staggered grid is presented. To achieve this, new algorithms for diagonalizing a semi-definite pair are developed. Our fast solver can also be extended to the three dimensional case. The motivation and related issues in using this second kind of staggered grid are also discussed. Numerical testing has indicated the effectiveness of this algorithm.

Poisson's ratio of fiber-reinforced composites

Science.gov (United States)

Christiansson, Henrik; Helsing, Johan

1996-05-01

Poisson's ratio flow diagrams, that is, the Poisson's ratio versus the fiber fraction, are obtained numerically for hexagonal arrays of elastic circular fibers in an elastic matrix. High numerical accuracy is achieved through the use of an interface integral equation method. Questions concerning fixed point theorems and the validity of existing asymptotic relations are investigated and partially resolved. Our findings for the transverse effective Poisson's ratio, together with earlier results for random systems by other authors, make it possible to formulate a general statement for Poisson's ratio flow diagrams: For composites with circular fibers and where the phase Poisson's ratios are equal to 1/3, the system with the lowest stiffness ratio has the highest Poisson's ratio. For other choices of the elastic moduli for the phases, no simple statement can be made.

First error bounds for the porous media approximation of the Poisson-Nernst-Planck equations

Energy Technology Data Exchange (ETDEWEB)

Schmuck, Markus [Imperial College, London (United Kingdom). Depts. of Chemical Engineering and Mathematics

2012-04-15

We study the well-accepted Poisson-Nernst-Planck equations modeling transport of charged particles. By formal multiscale expansions we rederive the porous media formulation obtained by two-scale convergence in [42, 43]. The main result is the derivation of the error which occurs after replacing a highly heterogeneous solid-electrolyte composite by a homogeneous one. The derived estimates show that the approximation errors for both, the ion densities quantified in L{sup 2}-norm and the electric potential measured in H{sup 1}-norm, are of order O(s{sup 1/2}). (orig.)

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.

The self-consistent dynamic pole tide in global oceans

Science.gov (United States)

Dickman, S. R.

1985-01-01

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

Poisson Autoregression

DEFF Research Database (Denmark)

Fokianos, Konstantinos; Rahbek, Anders Christian; Tjøstheim, Dag

2009-01-01

In this article we consider geometric ergodicity and likelihood-based inference for linear and nonlinear Poisson autoregression. In the linear case, the conditional mean is linked linearly to its past values, as well as to the observed values of the Poisson process. This also applies...... to the conditional variance, making possible interpretation as an integer-valued generalized autoregressive conditional heteroscedasticity process. In a nonlinear conditional Poisson model, the conditional mean is a nonlinear function of its past values and past observations. As a particular example, we consider...... an exponential autoregressive Poisson model for time series. Under geometric ergodicity, the maximum likelihood estimators are shown to be asymptotically Gaussian in the linear model. In addition, we provide a consistent estimator of their asymptotic covariance matrix. Our approach to verifying geometric...

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)

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

A node-centered local refinement algorithm for poisson's equation in complex geometries

International Nuclear Information System (INIS)

McCorquodale, Peter; Colella, Phillip; Grote, David P.; Vay, Jean-Luc

2004-01-01

This paper presents a method for solving Poisson's equation with Dirichlet boundary conditions on an irregular bounded three-dimensional region. The method uses a nodal-point discretization and adaptive mesh refinement (AMR) on Cartesian grids, and the AMR multigrid solver of Almgren. The discrete Laplacian operator at internal boundaries comes from either linear or quadratic (Shortley-Weller) extrapolation, and the two methods are compared. It is shown that either way, solution error is second order in the mesh spacing. Error in the gradient of the solution is first order with linear extrapolation, but second order with Shortley-Weller. Examples are given with comparison with the exact solution. The method is also applied to a heavy-ion fusion accelerator problem, showing the advantage of adaptivity

Hodograph solutions of the dispersionless coupled KdV hierarchies, critical points and the Euler-Poisson-Darboux equation

International Nuclear Information System (INIS)

Konopelchenko, B; Alonso, L MartInez; Medina, E

2010-01-01

It is shown that the hodograph solutions of the dispersionless coupled KdV (dcKdV) hierarchies describe critical and degenerate critical points of a scalar function which obeys the Euler-Poisson-Darboux equation. Singular sectors of each dcKdV hierarchy are found to be described by solutions of higher genus dcKdV hierarchies. Concrete solutions exhibiting shock-type singularities are presented.

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)

Poisson-Boltzmann-Nernst-Planck model

International Nuclear Information System (INIS)

Zheng Qiong; Wei Guowei

2011-01-01

The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems, despite many limitations. While the PNP model gives a good prediction of the ion transport phenomenon for chemical, physical, and biological systems, the number of equations to be solved and the number of diffusion coefficient profiles to be determined for the calculation directly depend on the number of ion species in the system, since each ion species corresponds to one Nernst-Planck equation and one position-dependent diffusion coefficient profile. In a complex system with multiple ion species, the PNP can be computationally expensive and parameter demanding, as experimental measurements of diffusion coefficient profiles are generally quite limited for most confined regions such as ion channels, nanostructures and nanopores. We propose an alternative model to reduce number of Nernst-Planck equations to be solved in complex chemical and biological systems with multiple ion species by substituting Nernst-Planck equations with Boltzmann distributions of ion concentrations. As such, we solve the coupled Poisson-Boltzmann and Nernst-Planck (PBNP) equations, instead of the PNP equations. The proposed PBNP equations are derived from a total energy functional by using the variational principle. We design a number of computational techniques, including the Dirichlet to Neumann mapping, the matched interface and boundary, and relaxation based iterative procedure, to ensure efficient solution of the proposed PBNP equations. Two protein molecules, cytochrome c551 and Gramicidin A, are employed to validate the proposed model under a wide range of bulk ion concentrations and external

Nonlinear and self-consistent treatment of ECRH

Energy Technology Data Exchange (ETDEWEB)

Tsironis, C.; Vlahos, L.

2005-07-01

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

Nonlinear and self-consistent treatment of ECRH

International Nuclear Information System (INIS)

Tsironis, C.; Vlahos, L.

2005-01-01

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

Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers.

Science.gov (United States)

Wang, Nuo; Zhou, Shenggao; Kekenes-Huskey, Peter M; Li, Bo; McCammon, J Andrew

2014-12-26

Mean-field methods, such as the Poisson-Boltzmann equation (PBE), are often used to calculate the electrostatic properties of molecular systems. In the past two decades, an enhancement of the PBE, the size-modified Poisson-Boltzmann equation (SMPBE), has been reported. Here, the PBE and the SMPBE are reevaluated for realistic molecular systems, namely, lipid bilayers, under eight different sets of input parameters. The SMPBE appears to reproduce the molecular dynamics simulation results better than the PBE only under specific parameter sets, but in general, it performs no better than the Stern layer correction of the PBE. These results emphasize the need for careful discussions of the accuracy of mean-field calculations on realistic systems with respect to the choice of parameters and call for reconsideration of the cost-efficiency and the significance of the current SMPBE formulation.

On a Poisson homogeneous space of bilinear forms with a Poisson-Lie action

Science.gov (United States)

Chekhov, L. O.; Mazzocco, M.

2017-12-01

Let \\mathscr A be the space of bilinear forms on C^N with defining matrices A endowed with a quadratic Poisson structure of reflection equation type. The paper begins with a short description of previous studies of the structure, and then this structure is extended to systems of bilinear forms whose dynamics is governed by the natural action A\\mapsto B ABT} of the {GL}_N Poisson-Lie group on \\mathscr A. A classification is given of all possible quadratic brackets on (B, A)\\in {GL}_N× \\mathscr A preserving the Poisson property of the action, thus endowing \\mathscr A with the structure of a Poisson homogeneous space. Besides the product Poisson structure on {GL}_N× \\mathscr A, there are two other (mutually dual) structures, which (unlike the product Poisson structure) admit reductions by the Dirac procedure to a space of bilinear forms with block upper triangular defining matrices. Further generalisations of this construction are considered, to triples (B,C, A)\\in {GL}_N× {GL}_N× \\mathscr A with the Poisson action A\\mapsto B ACT}, and it is shown that \\mathscr A then acquires the structure of a Poisson symmetric space. Generalisations to chains of transformations and to the quantum and quantum affine algebras are investigated, as well as the relations between constructions of Poisson symmetric spaces and the Poisson groupoid. Bibliography: 30 titles.

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

The Poisson equation in axisymmetric domains with conical points

International Nuclear Information System (INIS)

Nkemzi, B.

2003-01-01

This paper analyzes the application of the Fourier-finite-element method (FFEM) for the resolution of the Derichlet problem for the Poisson equation -Δu-circumflex = f-circumflex in axisymmetric domains Ω-circumflex subset of R 3 with conical points on the rotation axis. The FFEM combines the approximate Fourier method with respect to one space direction with the finite element method for the approximate calculation of the Fourier coefficients of the solution. Here, the influence of the conical points on the regularity of the Fourier coefficients of the solution is analyzed and the asymptotic behaviour of the coefficients near the conical points is described by some singularity functions and treated numerically by mesh grading in the two-dimensional meridian of Ω-circumflex. It is proved that for f-circumflex in L 2 (Ω-circumflex), the rate of convergence of the combined approximations in the Sobolev space W 2 1 (Ω-circumflex) is of the order O(h + N -1 ), where h and N represent, respectively, the parameters of the finite-element- and the Fourier-approximation, with h → 0 and n → ∞. (author)

A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation

Directory of Open Access Journals (Sweden)

José Colmenares

2014-01-01

Full Text Available The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biological systems. In the last decades, the amount of data concerning proteins and other biological macromolecules has remarkably increased. To fruitfully exploit these data, a huge computational power is needed as well as software tools capable of exploiting it. It is therefore necessary to move towards high performance computing and to develop proper parallel implementations of already existing and of novel algorithms. Nowadays, workstations can provide an amazing computational power: up to 10 TFLOPS on a single machine equipped with multiple CPUs and accelerators such as Intel Xeon Phi or GPU devices. The actual obstacle to the full exploitation of modern heterogeneous resources is efficient parallel coding and porting of software on such architectures. In this paper, we propose the implementation of a full Poisson-Boltzmann solver based on a finite-difference scheme using different and combined parallel schemes and in particular a mixed MPI-CUDA implementation. Results show great speedups when using the two schemes, achieving an 18.9x speedup using three GPUs.

Solution of the equations of motion for a super non-Abelian sigma model in curved background by the super Poisson-Lie T-duality

International Nuclear Information System (INIS)

Eghbali, Ali

2015-01-01

The equations of motion of a super non-Abelian T-dual sigma model on the Lie supergroup (C_1"1+A) in the curved background are explicitly solved by the super Poisson-Lie T-duality. To find the solution of the flat model we use the transformation of supercoordinates, transforming the metric into a constant one, which is shown to be a supercanonical transformation. Then, using the super Poisson-Lie T-duality transformations and the dual decomposition of elements of Drinfel’d superdouble, the solution of the equations of motion for the dual sigma model is obtained. The general form of the dilaton fields satisfying the vanishing β−function equations of the sigma models is found. In this respect, conformal invariance of the sigma models built on the Drinfel’d superdouble ((C_1"1+A) , I_(_2_|_2_)) is guaranteed up to one-loop, at least.

Mean-field theory and self-consistent dynamo modeling

International Nuclear Information System (INIS)

Yoshizawa, Akira; Yokoi, Nobumitsu

2001-12-01

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

GEPOIS: a two dimensional nonuniform mesh Poisson solver

International Nuclear Information System (INIS)

Quintenz, J.P.; Freeman, J.R.

1979-06-01

A computer code is described which solves Poisson's equation for the electric potential over a two dimensional cylindrical (r,z) nonuniform mesh which can contain internal electrodes. Poisson's equation is solved over a given region subject to a specified charge distribution with either Neumann or Dirichlet perimeter boundary conditions and with Dirichlet boundary conditions on internal surfaces. The static electric field is also computed over the region with special care given to normal electric field components at boundary surfaces

Computational time analysis of the numerical solution of 3D electrostatic Poisson's equation

Science.gov (United States)

Kamboh, Shakeel Ahmed; Labadin, Jane; Rigit, Andrew Ragai Henri; Ling, Tech Chaw; Amur, Khuda Bux; Chaudhary, Muhammad Tayyab

2015-05-01

3D Poisson's equation is solved numerically to simulate the electric potential in a prototype design of electrohydrodynamic (EHD) ion-drag micropump. Finite difference method (FDM) is employed to discretize the governing equation. The system of linear equations resulting from FDM is solved iteratively by using the sequential Jacobi (SJ) and sequential Gauss-Seidel (SGS) methods, simulation results are also compared to examine the difference between the results. The main objective was to analyze the computational time required by both the methods with respect to different grid sizes and parallelize the Jacobi method to reduce the computational time. In common, the SGS method is faster than the SJ method but the data parallelism of Jacobi method may produce good speedup over SGS method. In this study, the feasibility of using parallel Jacobi (PJ) method is attempted in relation to SGS method. MATLAB Parallel/Distributed computing environment is used and a parallel code for SJ method is implemented. It was found that for small grid size the SGS method remains dominant over SJ method and PJ method while for large grid size both the sequential methods may take nearly too much processing time to converge. Yet, the PJ method reduces computational time to some extent for large grid sizes.

A multichannel model for the self-consistent analysis of coherent transport in graphene nanoribbons.

Science.gov (United States)

Mencarelli, Davide; Pierantoni, Luca; Farina, Marco; Di Donato, Andrea; Rozzi, Tullio

2011-08-23

In this contribution, we analyze the multichannel coherent transport in graphene nanoribbons (GNRs) by a scattering matrix approach. We consider the transport properties of GNR devices of a very general form, involving multiple bands and multiple leads. The 2D quantum transport over the whole GNR surface, described by the Schrödinger equation, is strongly nonlinear as it implies calculation of self-generated and externally applied electrostatic potentials, solutions of the 3D Poisson equation. The surface charge density is computed as a balance of carriers traveling through the channel at all of the allowed energies. Moreover, formation of bound charges corresponding to a discrete modal spectrum is observed and included in the model. We provide simulation examples by considering GNR configurations typical for transistor devices and GNR protrusions that find an interesting application as cold cathodes for X-ray generation. With reference to the latter case, a unified model is required in order to couple charge transport and charge emission. However, to a first approximation, these could be considered as independent problems, as in the example. © 2011 American Chemical Society

Exact solution for the Poisson field in a semi-infinite strip.

Science.gov (United States)

Cohen, Yossi; Rothman, Daniel H

2017-04-01

The Poisson equation is associated with many physical processes. Yet exact analytic solutions for the two-dimensional Poisson field are scarce. Here we derive an analytic solution for the Poisson equation with constant forcing in a semi-infinite strip. We provide a method that can be used to solve the field in other intricate geometries. We show that the Poisson flux reveals an inverse square-root singularity at a tip of a slit, and identify a characteristic length scale in which a small perturbation, in a form of a new slit, is screened by the field. We suggest that this length scale expresses itself as a characteristic spacing between tips in real Poisson networks that grow in response to fluxes at tips.

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

Energy Technology Data Exchange (ETDEWEB)

Stiehler, Johannes

1995-12-15

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

Alternative Forms of Compound Fractional Poisson Processes

Directory of Open Access Journals (Sweden)

Luisa Beghin

2012-01-01

Full Text Available We study here different fractional versions of the compound Poisson process. The fractionality is introduced in the counting process representing the number of jumps as well as in the density of the jumps themselves. The corresponding distributions are obtained explicitly and proved to be solution of fractional equations of order less than one. Only in the final case treated in this paper, where the number of jumps is given by the fractional-difference Poisson process defined in Orsingher and Polito (2012, we have a fractional driving equation, with respect to the time argument, with order greater than one. Moreover, in this case, the compound Poisson process is Markovian and this is also true for the corresponding limiting process. All the processes considered here are proved to be compositions of continuous time random walks with stable processes (or inverse stable subordinators. These subordinating relationships hold, not only in the limit, but also in the finite domain. In some cases the densities satisfy master equations which are the fractional analogues of the well-known Kolmogorov one.

Iterative observer based method for source localization problem for Poisson equation in 3D

KAUST Repository

Majeed, Muhammad Usman

2017-07-10

A state-observer based method is developed to solve point source localization problem for Poisson equation in a 3D rectangular prism with available boundary data. The technique requires a weighted sum of solutions of multiple boundary data estimation problems for Laplace equation over the 3D domain. The solution of each of these boundary estimation problems involves writing down the mathematical problem in state-space-like representation using one of the space variables as time-like. First, system observability result for 3D boundary estimation problem is recalled in an infinite dimensional setting. Then, based on the observability result, the boundary estimation problem is decomposed into a set of independent 2D sub-problems. These 2D problems are then solved using an iterative observer to obtain the solution. Theoretical results are provided. The method is implemented numerically using finite difference discretization schemes. Numerical illustrations along with simulation results are provided.

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.

Analytical solution of the Poisson-Nernst-Planck equations for an electrochemical system close to electroneutrality

International Nuclear Information System (INIS)

Pabst, M.

2014-01-01

Single charge densities and the potential are used to describe models of electrochemical systems. These quantities can be calculated by solving a system of time dependent nonlinear coupled partial differential equations, the Poisson-Nernst-Planck equations. Assuming small deviations from the electroneutral equilibrium, the linearized and decoupled equations are solved for a radial symmetric geometry, which represents the interface between a cell and a sensor device. The densities and the potential are expressed by Fourier-Bessels series. The system considered has a ratio between the Debye-length and its geometric dimension on the order of 10 −4 so the Fourier-Bessel series can be approximated by elementary functions. The time development of the system is characterized by two time constants, τ c and τ g . The constant τ c describes the approach to the stationary state of the total charge and the potential. τ c is several orders of magnitude smaller than the geometry-dependent constant τ g , which is on the order of 10 ms characterizing the transition to the stationary state of the single ion densities

Integrability and Poisson Structures of Three Dimensional Dynamical Systems and Equations of Hydrodynamic Type

Science.gov (United States)

Gumral, Hasan

Poisson structure of completely integrable 3 dimensional dynamical systems can be defined in terms of an integrable 1-form. We take advantage of this fact and use the theory of foliations in discussing the geometrical structure underlying complete and partial integrability. We show that the Halphen system can be formulated in terms of a flat SL(2,R)-valued connection and belongs to a non-trivial Godbillon-Vey class. On the other hand, for the Euler top and a special case of 3-species Lotka-Volterra equations which are contained in the Halphen system as limiting cases, this structure degenerates into the form of globally integrable bi-Hamiltonian structures. The globally integrable bi-Hamiltonian case is a linear and the sl_2 structure is a quadratic unfolding of an integrable 1-form in 3 + 1 dimensions. We complete the discussion of the Hamiltonian structure of 2-component equations of hydrodynamic type by presenting the Hamiltonian operators for Euler's equation and a continuum limit of Toda lattice. We present further infinite sequences of conserved quantities for shallow water equations and show that their generalizations by Kodama admit bi-Hamiltonian structure. We present a simple way of constructing the second Hamiltonian operators for N-component equations admitting some scaling properties. The Kodama reduction of the dispersionless-Boussinesq equations and the Lax reduction of the Benney moment equations are shown to be equivalent by a symmetry transformation. They can be cast into the form of a triplet of conservation laws which enable us to recognize a non-trivial scaling symmetry. The resulting bi-Hamiltonian structure generates three infinite sequences of conserved densities.

On the Derivation of Highest-Order Compact Finite Difference Schemes for the One- and Two-Dimensional Poisson Equation with Dirichlet Boundary Conditions

KAUST Repository

Settle, Sean O.; Douglas, Craig C.; Kim, Imbunm; Sheen, Dongwoo

2013-01-01

- and two-dimensional Poisson equation on uniform, quasi-uniform, and nonuniform face-to-face hyperrectangular grids and directly prove the existence or nonexistence of their highest-order local accuracies. Our derivations are unique in that we do not make

A Cartesian Grid Embedded Boundary Method for Poisson's Equation on Irregular Domains

Science.gov (United States)

Johansen, Hans; Colella, Phillip

1998-11-01

We present a numerical method for solving Poisson's equation, with variable coefficients and Dirichlet boundary conditions, on two-dimensional regions. The approach uses a finite-volume discretization, which embeds the domain in a regular Cartesian grid. We treat the solution as a cell-centered quantity, even when those centers are outside the domain. Cells that contain a portion of the domain boundary use conservative differencing of second-order accurate fluxes on each cell volume. The calculation of the boundary flux ensures that the conditioning of the matrix is relatively unaffected by small cell volumes. This allows us to use multigrid iterations with a simple point relaxation strategy. We have combined this with an adaptive mesh refinement (AMR) procedure. We provide evidence that the algorithm is second-order accurate on various exact solutions and compare the adaptive and nonadaptive calculations.

Poisson-Boltzmann-Nernst-Planck model.

Science.gov (United States)

Zheng, Qiong; Wei, Guo-Wei

2011-05-21

The Poisson-Nernst-Planck (PNP) model is based on a mean-field approximation of ion interactions and continuum descriptions of concentration and electrostatic potential. It provides qualitative explanation and increasingly quantitative predictions of experimental measurements for the ion transport problems in many areas such as semiconductor devices, nanofluidic systems, and biological systems, despite many limitations. While the PNP model gives a good prediction of the ion transport phenomenon for chemical, physical, and biological systems, the number of equations to be solved and the number of diffusion coefficient profiles to be determined for the calculation directly depend on the number of ion species in the system, since each ion species corresponds to one Nernst-Planck equation and one position-dependent diffusion coefficient profile. In a complex system with multiple ion species, the PNP can be computationally expensive and parameter demanding, as experimental measurements of diffusion coefficient profiles are generally quite limited for most confined regions such as ion channels, nanostructures and nanopores. We propose an alternative model to reduce number of Nernst-Planck equations to be solved in complex chemical and biological systems with multiple ion species by substituting Nernst-Planck equations with Boltzmann distributions of ion concentrations. As such, we solve the coupled Poisson-Boltzmann and Nernst-Planck (PBNP) equations, instead of the PNP equations. The proposed PBNP equations are derived from a total energy functional by using the variational principle. We design a number of computational techniques, including the Dirichlet to Neumann mapping, the matched interface and boundary, and relaxation based iterative procedure, to ensure efficient solution of the proposed PBNP equations. Two protein molecules, cytochrome c551 and Gramicidin A, are employed to validate the proposed model under a wide range of bulk ion concentrations and external

A self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.

Science.gov (United States)

Sun, Hui; Wen, Jiayi; Zhao, Yanxiang; Li, Bo; McCammon, J Andrew

2015-12-28

Dielectric boundary based implicit-solvent models provide efficient descriptions of coarse-grained effects, particularly the electrostatic effect, of aqueous solvent. Recent years have seen the initial success of a new such model, variational implicit-solvent model (VISM) [Dzubiella, Swanson, and McCammon Phys. Rev. Lett. 96, 087802 (2006) and J. Chem. Phys. 124, 084905 (2006)], in capturing multiple dry and wet hydration states, describing the subtle electrostatic effect in hydrophobic interactions, and providing qualitatively good estimates of solvation free energies. Here, we develop a phase-field VISM to the solvation of charged molecules in aqueous solvent to include more flexibility. In this approach, a stable equilibrium molecular system is described by a phase field that takes one constant value in the solute region and a different constant value in the solvent region, and smoothly changes its value on a thin transition layer representing a smeared solute-solvent interface or dielectric boundary. Such a phase field minimizes an effective solvation free-energy functional that consists of the solute-solvent interfacial energy, solute-solvent van der Waals interaction energy, and electrostatic free energy described by the Poisson-Boltzmann theory. We apply our model and methods to the solvation of single ions, two parallel plates, and protein complexes BphC and p53/MDM2 to demonstrate the capability and efficiency of our approach at different levels. With a diffuse dielectric boundary, our new approach can describe the dielectric asymmetry in the solute-solvent interfacial region. Our theory is developed based on rigorous mathematical studies and is also connected to the Lum-Chandler-Weeks theory (1999). We discuss these connections and possible extensions of our theory and methods.

Accuracy assessment of the linear Poisson-Boltzmann equation and reparametrization of the OBC generalized Born model for nucleic acids and nucleic acid-protein complexes.

Science.gov (United States)

Fogolari, Federico; Corazza, Alessandra; Esposito, Gennaro

2015-04-05

The generalized Born model in the Onufriev, Bashford, and Case (Onufriev et al., Proteins: Struct Funct Genet 2004, 55, 383) implementation has emerged as one of the best compromises between accuracy and speed of computation. For simulations of nucleic acids, however, a number of issues should be addressed: (1) the generalized Born model is based on a linear model and the linearization of the reference Poisson-Boltmann equation may be questioned for highly charged systems as nucleic acids; (2) although much attention has been given to potentials, solvation forces could be much less sensitive to linearization than the potentials; and (3) the accuracy of the Onufriev-Bashford-Case (OBC) model for nucleic acids depends on fine tuning of parameters. Here, we show that the linearization of the Poisson Boltzmann equation has mild effects on computed forces, and that with optimal choice of the OBC model parameters, solvation forces, essential for molecular dynamics simulations, agree well with those computed using the reference Poisson-Boltzmann model. © 2015 Wiley Periodicals, Inc.

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

International Nuclear Information System (INIS)

Ruehl, W.

1986-01-01

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

Interacting fields of arbitrary spin and N > 4 supersymmetric self-dual Yang-Mills equations

International Nuclear Information System (INIS)

Devchand, Ch.; Ogievetsky, V.

1996-06-01

We show that the self-dual Yang-Mills equations afford supersymmetrization to systems of equations invariant under global N-extended super-Poincare transformations for arbitrary values of N, without the limitation (N ≤ 4) applicable to standard non-self-dual Yang-Mills theories. These systems of equations provide novel classically consistent interactions for vector supermultiplets containing fields of spin up to N-2/2. The equations of motion of the component fields of spin greater than 1/2 are interacting variants of the first-order Dirac-Fierz equations for zero rest-mass fields of arbitrary spin. The interactions are governed by conserved currents which are constructed by an iterative procedure. In (arbitrarily extended) chiral superspace, the equations of motion for the (arbitrarily large) self-dual supermultiplet are shown to be completely equivalent to the set of algebraic supercurvature defining the self-dual superconnection. (author). 25 refs

Self-consistent asset pricing models

Science.gov (United States)

Malevergne, Y.; Sornette, D.

2007-08-01

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

2D sigma models and differential Poisson algebras

International Nuclear Information System (INIS)

Arias, Cesar; Boulanger, Nicolas; Sundell, Per; Torres-Gomez, Alexander

2015-01-01

We construct a two-dimensional topological sigma model whose target space is endowed with a Poisson algebra for differential forms. The model consists of an equal number of bosonic and fermionic fields of worldsheet form degrees zero and one. The action is built using exterior products and derivatives, without any reference to a worldsheet metric, and is of the covariant Hamiltonian form. The equations of motion define a universally Cartan integrable system. In addition to gauge symmetries, the model has one rigid nilpotent supersymmetry corresponding to the target space de Rham operator. The rigid and local symmetries of the action, respectively, are equivalent to the Poisson bracket being compatible with the de Rham operator and obeying graded Jacobi identities. We propose that perturbative quantization of the model yields a covariantized differential star product algebra of Kontsevich type. We comment on the resemblance to the topological A model.

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

NARCIS (Netherlands)

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

2006-01-01

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

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

Indian Academy of Sciences (India)

Unknown

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

Fourier rebinning and consistency equations for time-of-flight PET planograms.

Science.gov (United States)

Li, Yusheng; Defrise, Michel; Matej, Samuel; Metzler, Scott D

2016-01-01

Due to the unique geometry, dual-panel PET scanners have many advantages in dedicated breast imaging and on-board imaging applications since the compact scanners can be combined with other imaging and treatment modalities. The major challenges of dual-panel PET imaging are the limited-angle problem and data truncation, which can cause artifacts due to incomplete data sampling. The time-of-flight (TOF) information can be a promising solution to reduce these artifacts. The TOF planogram is the native data format for dual-panel TOF PET scanners, and the non-TOF planogram is the 3D extension of linogram. The TOF planograms is five-dimensional while the objects are three-dimensional, and there are two degrees of redundancy. In this paper, we derive consistency equations and Fourier-based rebinning algorithms to provide a complete understanding of the rich structure of the fully 3D TOF planograms. We first derive two consistency equations and John's equation for 3D TOF planograms. By taking the Fourier transforms, we obtain two Fourier consistency equations and the Fourier-John equation, which are the duals of the consistency equations and John's equation, respectively. We then solve the Fourier consistency equations and Fourier-John equation using the method of characteristics. The two degrees of entangled redundancy of the 3D TOF data can be explicitly elicited and exploited by the solutions along the characteristic curves. As the special cases of the general solutions, we obtain Fourier rebinning and consistency equations (FORCEs), and thus we obtain a complete scheme to convert among different types of PET planograms: 3D TOF, 3D non-TOF, 2D TOF and 2D non-TOF planograms. The FORCEs can be used as Fourier-based rebinning algorithms for TOF-PET data reduction, inverse rebinnings for designing fast projectors, or consistency conditions for estimating missing data. As a byproduct, we show the two consistency equations are necessary and sufficient for 3D TOF planograms

Estimation of a Non-homogeneous Poisson Model: An Empirical ...

African Journals Online (AJOL)

This article aims at applying the Nonhomogeneous Poisson process to trends of economic development. For this purpose, a modified Nonhomogeneous Poisson process is derived when the intensity rate is considered as a solution of stochastic differential equation which satisfies the geometric Brownian motion. The mean ...

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.

An implicit meshless scheme for the solution of transient non-linear Poisson-type equations

KAUST Repository

Bourantas, Georgios

2013-07-01

A meshfree point collocation method is used for the numerical simulation of both transient and steady state non-linear Poisson-type partial differential equations. Particular emphasis is placed on the application of the linearization method with special attention to the lagging of coefficients method and the Newton linearization method. The localized form of the Moving Least Squares (MLS) approximation is employed for the construction of the shape functions, in conjunction with the general framework of the point collocation method. Computations are performed for regular nodal distributions, stressing the positivity conditions that make the resulting system stable and convergent. The accuracy and the stability of the proposed scheme are demonstrated through representative and well-established benchmark problems. © 2013 Elsevier Ltd.

An implicit meshless scheme for the solution of transient non-linear Poisson-type equations

KAUST Repository

Bourantas, Georgios; Burganos, Vasilis N.

2013-01-01

A meshfree point collocation method is used for the numerical simulation of both transient and steady state non-linear Poisson-type partial differential equations. Particular emphasis is placed on the application of the linearization method with special attention to the lagging of coefficients method and the Newton linearization method. The localized form of the Moving Least Squares (MLS) approximation is employed for the construction of the shape functions, in conjunction with the general framework of the point collocation method. Computations are performed for regular nodal distributions, stressing the positivity conditions that make the resulting system stable and convergent. The accuracy and the stability of the proposed scheme are demonstrated through representative and well-established benchmark problems. © 2013 Elsevier Ltd.

Comment on the consistency of truncated nonlinear integral equation based theories of freezing

International Nuclear Information System (INIS)

Cerjan, C.; Bagchi, B.; Rice, S.A.

1985-01-01

We report the results of two studies of aspects of the consistency of truncated nonlinear integral equation based theories of freezing: (i) We show that the self-consistent solutions to these nonlinear equations are unfortunately sensitive to the level of truncation. For the hard sphere system, if the Wertheim--Thiele representation of the pair direct correlation function is used, the inclusion of part but not all of the triplet direct correlation function contribution, as has been common, worsens the predictions considerably. We also show that the convergence of the solutions found, with respect to number of reciprocal lattice vectors kept in the Fourier expansion of the crystal singlet density, is slow. These conclusions imply great sensitivity to the quality of the pair direct correlation function employed in the theory. (ii) We show the direct correlation function based and the pair correlation function based theories of freezing can be cast into a form which requires solution of isomorphous nonlinear integral equations. However, in the pair correlation function theory the usual neglect of the influence of inhomogeneity of the density distribution on the pair correlation function is shown to be inconsistent to the lowest order in the change of density on freezing, and to lead to erroneous predictions

Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes II: Size Effects on Ionic Distributions and Diffusion-Reaction Rates

Science.gov (United States)

Lu, Benzhuo; Zhou, Y.C.

2011-01-01

The effects of finite particle size on electrostatics, density profiles, and diffusion have been a long existing topic in the study of ionic solution. The previous size-modified Poisson-Boltzmann and Poisson-Nernst-Planck models are revisited in this article. In contrast to many previous works that can only treat particle species with a single uniform size or two sizes, we generalize the Borukhov model to obtain a size-modified Poisson-Nernst-Planck (SMPNP) model that is able to treat nonuniform particle sizes. The numerical tractability of the model is demonstrated as well. The main contributions of this study are as follows. 1), We show that an (arbitrarily) size-modified PB model is indeed implied by the SMPNP equations under certain boundary/interface conditions, and can be reproduced through numerical solutions of the SMPNP. 2), The size effects in the SMPNP effectively reduce the densities of highly concentrated counterions around the biomolecule. 3), The SMPNP is applied to the diffusion-reaction process for the first time, to our knowledge. In the case of low substrate density near the enzyme reactive site, it is observed that the rate coefficients predicted by SMPNP model are considerably larger than those by the PNP model, suggesting both ions and substrates are subject to finite size effects. 4), An accurate finite element method and a convergent Gummel iteration are developed for the numerical solution of the completely coupled nonlinear system of SMPNP equations. PMID:21575582

Formulation of Hamiltonian mechanics with even and odd Poisson brackets

International Nuclear Information System (INIS)

Khudaverdyan, O.M.; Nersesyan, A.P.

1987-01-01

A possibility is studied as to constrict the odd Poisson bracket and odd Hamiltonian by the given dynamics in phase superspace - the even Poisson bracket and even Hamiltonian so the transition to the new structure does not change the equations of motion. 9 refs

Self-consistent Maxwell-Bloch theory of quantum-dot-population switching in photonic crystals

International Nuclear Information System (INIS)

Takeda, Hiroyuki; John, Sajeev

2011-01-01

We theoretically demonstrate the population switching of quantum dots (QD's), modeled as two-level atoms in idealized one-dimensional (1D) and two-dimensional (2D) photonic crystals (PC's) by self-consistent solution of the Maxwell-Bloch equations. In our semiclassical theory, energy states of the electron are quantized, and electron dynamics is described by the atomic Bloch equation, while electromagnetic waves satisfy the classical Maxwell equations. Near a waveguide cutoff in a photonic band gap, the local electromagnetic density of states (LDOS) and spontaneous emission rates exhibit abrupt changes with frequency, enabling large QD population inversion driven by both continuous and pulsed optical fields. We recapture and generalize this ultrafast population switching using the Maxwell-Bloch equations. Radiative emission from the QD is obtained directly from the surrounding PC geometry using finite-difference time-domain simulation of the electromagnetic field. The atomic Bloch equations provide a source term for the electromagnetic field. The total electromagnetic field, consisting of the external input and radiated field, drives the polarization components of the atomic Bloch vector. We also include a microscopic model for phonon dephasing of the atomic polarization and nonradiative decay caused by damped phonons. Our self-consistent theory captures stimulated emission and coherent feedback effects of the atomic Mollow sidebands, neglected in earlier treatments. This leads to remarkable high-contrast QD-population switching with relatively modest (factor of 10) jump discontinuities in the electromagnetic LDOS. Switching is demonstrated in three separate models of QD's placed (i) in the vicinity of a band edge of a 1D PC, (ii) near a cutoff frequency in a bimodal waveguide channel of a 2D PC, and (iii) in the vicinity of a localized defect mode side coupled to a single-mode waveguide channel in a 2D PC.

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

Fourier rebinning and consistency equations for time-of-flight PET planograms

International Nuclear Information System (INIS)

Li, Yusheng; Matej, Samuel; Metzler, Scott D; Defrise, Michel

2016-01-01

Due to the unique geometry, dual-panel PET scanners have many advantages in dedicated breast imaging and on-board imaging applications since the compact scanners can be combined with other imaging and treatment modalities. The major challenges of dual-panel PET imaging are the limited-angle problem and data truncation, which can cause artifacts due to incomplete data sampling. The time-of-flight (TOF) information can be a promising solution to reduce these artifacts. The TOF planogram is the native data format for dual-panel TOF PET scanners, and the non-TOF planogram is the 3D extension of linogram. The TOF planograms is five-dimensional while the objects are three-dimensional, and there are two degrees of redundancy. In this paper, we derive consistency equations and Fourier-based rebinning algorithms to provide a complete understanding of the rich structure of the fully 3D TOF planograms. We first derive two consistency equations and John’s equation for 3D TOF planograms. By taking the Fourier transforms, we obtain two Fourier consistency equations (FCEs) and the Fourier–John equation (FJE), which are the duals of the consistency equations and John’s equation, respectively. We then solve the FCEs and FJE using the method of characteristics. The two degrees of entangled redundancy of the 3D TOF data can be explicitly elicited and exploited by the solutions along the characteristic curves. As the special cases of the general solutions, we obtain Fourier rebinning and consistency equations (FORCEs), and thus we obtain a complete scheme to convert among different types of PET planograms: 3D TOF, 3D non-TOF, 2D TOF and 2D non-TOF planograms. The FORCEs can be used as Fourier-based rebinning algorithms for TOF-PET data reduction, inverse rebinnings for designing fast projectors, or consistency conditions for estimating missing data. As a byproduct, we show the two consistency equations are necessary and sufficient for 3D TOF planograms. Finally, we give

Non-Poisson Processes: Regression to Equilibrium Versus Equilibrium Correlation Functions

Science.gov (United States)

2004-07-07

ARTICLE IN PRESSPhysica A 347 (2005) 268–2880378-4371/$ - doi:10.1016/j Correspo E-mail adwww.elsevier.com/locate/physaNon- Poisson processes : regression...05.40.a; 89.75.k; 02.50.Ey Keywords: Stochastic processes; Non- Poisson processes ; Liouville and Liouville-like equations; Correlation function...which is not legitimate with renewal non- Poisson processes , is a correct property if the deviation from the exponential relaxation is obtained by time

Four-dimensional gravity as an almost-Poisson system

Science.gov (United States)

Ita, Eyo Eyo

2015-04-01

In this paper, we examine the phase space structure of a noncanonical formulation of four-dimensional gravity referred to as the Instanton representation of Plebanski gravity (IRPG). The typical Hamiltonian (symplectic) approach leads to an obstruction to the definition of a symplectic structure on the full phase space of the IRPG. We circumvent this obstruction, using the Lagrange equations of motion, to find the appropriate generalization of the Poisson bracket. It is shown that the IRPG does not support a Poisson bracket except on the vector constraint surface. Yet there exists a fundamental bilinear operation on its phase space which produces the correct equations of motion and induces the correct transformation properties of the basic fields. This bilinear operation is known as the almost-Poisson bracket, which fails to satisfy the Jacobi identity and in this case also the condition of antisymmetry. We place these results into the overall context of nonsymplectic systems.

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.

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

Poisson-Lie T-plurality

International Nuclear Information System (INIS)

Unge, Rikard von

2002-01-01

We extend the path-integral formalism for Poisson-Lie T-duality to include the case of Drinfeld doubles which can be decomposed into bi-algebras in more than one way. We give the correct shift of the dilaton, correcting a mistake in the literature. We then use the fact that the six dimensional Drinfeld doubles have been classified to write down all possible conformal Poisson-Lie T-duals of three dimensional space times and we explicitly work out two duals to the constant dilaton and zero anti-symmetric tensor Bianchi type V space time and show that they satisfy the string equations of motion. This space-time was previously thought to have no duals because of the tracefulness of the structure constants. (author)

Newtonian hydrodynamic equations with relativistic pressure and velocity

Energy Technology Data Exchange (ETDEWEB)

Hwang, Jai-chan [Department of Astronomy and Atmospheric Sciences, Kyungpook National University, Daegu 702-701 (Korea, Republic of); Noh, Hyerim [Korea Astronomy and Space Science Institute, Daejeon 305-348 (Korea, Republic of); Fabris, Júlio; Piattella, Oliver F.; Zimdahl, Winfried, E-mail: jchan@knu.ac.kr, E-mail: hr@kasi.re.kr, E-mail: fabris@pq.cnpq.br, E-mail: oliver.piattella@pq.cnpq.br, E-mail: winfried.zimdahl@pq.cnpq.br [Departamento de Fisica, Universidade Federal do Espirito Santo, Vitória (Brazil)

2016-07-01

We present a new approximation to include fully general relativistic pressure and velocity in Newtonian hydrodynamics. The energy conservation, momentum conservation and two Poisson's equations are consistently derived from Einstein's gravity in the zero-shear gauge assuming weak gravity and action-at-a-distance limit. The equations show proper special relativity limit in the absence of gravity. Our approximation is complementary to the post-Newtonian approximation and the equations are valid in fully nonlinear situations.

Analysis of the Poisson-Nernst-Planck equation in a ball for modeling the Voltage-Current relation in neurobiological microdomains

Science.gov (United States)

Cartailler, J.; Schuss, Z.; Holcman, D.

2017-01-01

The electro-diffusion of ions is often described by the Poisson-Nernst-Planck (PNP) equations, which couple nonlinearly the charge concentration and the electric potential. This model is used, among others, to describe the motion of ions in neuronal micro-compartments. It remains at this time an open question how to determine the relaxation and the steady state distribution of voltage when an initial charge of ions is injected into a domain bounded by an impermeable dielectric membrane. The purpose of this paper is to construct an asymptotic approximation to the solution of the stationary PNP equations in a d-dimensional ball (d = 1 , 2 , 3) in the limit of large total charge. In this geometry the PNP system reduces to the Liouville-Gelfand-Bratú (LGB) equation, with the difference that the boundary condition is Neumann, not Dirichlet, and there is a minus sign in the exponent of the exponential term. The entire boundary is impermeable to ions and the electric field satisfies the compatibility condition of Poisson's equation. These differences replace attraction by repulsion in the LGB equation, thus completely changing the solution. We find that the voltage is maximal in the center and decreases toward the boundary. We also find that the potential drop between the center and the surface increases logarithmically in the total number of charges and not linearly, as in classical capacitance theory. This logarithmic singularity is obtained for d = 3 from an asymptotic argument and cannot be derived from the analysis of the phase portrait. These results are used to derive the relation between the outward current and the voltage in a dendritic spine, which is idealized as a dielectric sphere connected smoothly to the nerve axon by a narrow neck. This is a fundamental microdomain involved in neuronal communication. We compute the escape rate of an ion from the steady density in a ball, which models a neuronal spine head, to a small absorbing window in the sphere. We

A regularization method for solving the Poisson equation for mixed unbounded-periodic domains

DEFF Research Database (Denmark)

Spietz, Henrik Juul; Mølholm Hejlesen, Mads; Walther, Jens Honoré

2018-01-01

the regularized unbounded-periodic Green's functions can be implemented in an FFT-based Poisson solver to obtain a convergence rate corresponding to the regularization order of the Green's function. The high order is achieved without any additional computational cost from the conventional FFT-based Poisson solver...... and enables the calculation of the derivative of the solution to the same high order by direct spectral differentiation. We illustrate an application of the FFT-based Poisson solver by using it with a vortex particle mesh method for the approximation of incompressible flow for a problem with a single periodic...

The Hitchin model, Poisson-quasi-Nijenhuis, geometry and symmetry reduction

International Nuclear Information System (INIS)

Zucchini, Roberto

2007-01-01

We revisit our earlier work on the AKSZ-like formulation of topological sigma model on generalized complex manifolds, or Hitchin model, [20]. We show that the target space geometry geometry implied by the BV master equations is Poisson-quasi-Nijenhuis geometry recently introduced and studied by Stienon and Xu (in the untwisted case) in [44]. Poisson-quasi-Nijenhuis geometry is more general than generalized complex geometry and comprises it as a particular case. Next, we show how gauging and reduction can be implemented in the Hitchin model. We find that the geometry resulting form the BV master equation is closely related to but more general than that recently described by Lin and Tolman in [40, 41], suggesting a natural framework for the study of reduction of Poisson-quasi-Nijenhuis manifolds

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 solution of continuous-time DSGE models under Poisson uncertainty

DEFF Research Database (Denmark)

Posch, Olaf; Trimborn, Timo

We propose a simple and powerful method for determining the transition process in continuous-time DSGE models under Poisson uncertainty numerically. The idea is to transform the system of stochastic differential equations into a system of functional differential equations of the retarded type. We...... classes of models. We illustrate the algorithm simulating both the stochastic neoclassical growth model and the Lucas model under Poisson uncertainty which is motivated by the Barro-Rietz rare disaster hypothesis. We find that, even for non-linear policy functions, the maximum (absolute) error is very...

Bootstrapping gravity: A consistent approach to energy-momentum self-coupling

International Nuclear Information System (INIS)

Butcher, Luke M.; Hobson, Michael; Lasenby, Anthony

2009-01-01

It is generally believed that coupling the graviton (a classical Fierz-Pauli massless spin-2 field) to its own energy-momentum tensor successfully recreates the dynamics of the Einstein field equations order by order; however the validity of this idea has recently been brought into doubt [T. Padmanabhan, Int. J. Mod. Phys. D 17, 367 (2008).]. Motivated by this, we present a graviton action for which energy-momentum self-coupling is indeed consistent with the Einstein field equations. The Hilbert energy-momentum tensor for this graviton is calculated explicitly and shown to supply the correct second-order term in the field equations; in contrast, the Fierz-Pauli action fails to supply the correct term. A formalism for perturbative expansions of metric-based gravitational theories is then developed, and these techniques employed to demonstrate that our graviton action is a starting point for a straightforward energy-momentum self-coupling procedure that, order by order, generates the Einstein-Hilbert action (up to a classically irrelevant surface term). The perturbative formalism is extended to include matter and a cosmological constant, and interactions between perturbations of a free matter field and the gravitational field are studied in a vacuum background. Finally, the effect of a nonvacuum background is examined, and the graviton is found to develop a nonvanishing 'mass-term' in the action.

Global Existence and Large Time Behavior of Solutions to the Bipolar Nonisentropic Euler-Poisson Equations

Directory of Open Access Journals (Sweden)

Min Chen

2014-01-01

Full Text Available We study the one-dimensional bipolar nonisentropic Euler-Poisson equations which can model various physical phenomena, such as the propagation of electron and hole in submicron semiconductor devices, the propagation of positive ion and negative ion in plasmas, and the biological transport of ions for channel proteins. We show the existence and large time behavior of global smooth solutions for the initial value problem, when the difference of two particles’ initial mass is nonzero, and the far field of two particles’ initial temperatures is not the ambient device temperature. This result improves that of Y.-P. Li, for the case that the difference of two particles’ initial mass is zero, and the far field of the initial temperature is the ambient device temperature.

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

The applicability of the Poisson distribution in radiochemical measurements

International Nuclear Information System (INIS)

Luthardt, M.; Proesch, U.

1980-01-01

The fact that, on principle, the Poisson distribution describes the statistics of nuclear decay is generally accepted. The applicability of this distribution to nuclear radiation measurements has recently been questioned. Applying the chi-squared test for goodness of fit on the analogy of the moving average, at least 3 cases may be distinguished, which lead to an incorrect rejection of the Poisson distribution for measurements. Examples are given. Distributions, which make allowance for special parameters, should only be used after careful examination of the data with regard to other interfering effects. The Poisson distribution will further on be applicable to many simple measuring operations. Some basic equations for the analysis of poisson-distributed data are given. (author)

Modeling and analysis of surface potential of single gate fully depleted SOI MOSFET using 2D-Poisson's equation

Science.gov (United States)

Mani, Prashant; Tyagi, Chandra Shekhar; Srivastav, Nishant

2016-03-01

In this paper the analytical solution of the 2D Poisson's equation for single gate Fully Depleted SOI (FDSOI) MOSFET's is derived by using a Green's function solution technique. The surface potential is calculated and the threshold voltage of the device is minimized for the low power consumption. Due to minimization of threshold voltage the short channel effect of device is suppressed and after observation we obtain the device is kink free. The structure and characteristics of SingleGate FDSOI MOSFET were matched by using MathCAD and silvaco respectively.

Complete synchronization of the global coupled dynamical network induced by Poisson noises.

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Guo, Qing; Wan, Fangyi

2017-01-01

The different Poisson noise-induced complete synchronization of the global coupled dynamical network is investigated. Based on the stability theory of stochastic differential equations driven by Poisson process, we can prove that Poisson noises can induce synchronization and sufficient conditions are established to achieve complete synchronization with probability 1. Furthermore, numerical examples are provided to show the agreement between theoretical and numerical analysis.

Intertime jump statistics of state-dependent Poisson processes.

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Daly, Edoardo; Porporato, Amilcare

2007-01-01

A method to obtain the probability distribution of the interarrival times of jump occurrences in systems driven by state-dependent Poisson noise is proposed. Such a method uses the survivor function obtained by a modified version of the master equation associated to the stochastic process under analysis. A model for the timing of human activities shows the capability of state-dependent Poisson noise to generate power-law distributions. The application of the method to a model for neuron dynamics and to a hydrological model accounting for land-atmosphere interaction elucidates the origin of characteristic recurrence intervals and possible persistence in state-dependent Poisson models.

Some New Integrable Equations from the Self-Dual Yang-Mills Equations

International Nuclear Information System (INIS)

Ivanova, T.A.; Popov, A.D.

1994-01-01

Using the symmetry reductions of the self-dual Yang-Mills (SDYM) equations in (2+2) dimensions, we introduce new integrable equations which are 'deformations' of the chiral model in (2+1) dimensions, generalized nonlinear Schroedinger, Korteweg-de Vries, Toda lattice, Garnier, Euler-Arnold, generalized Calogero-Moser and Euler-Calogero-Moser equations. The Lax pairs for all of these equations are derived by the symmetry reductions of the Lax pair for the SDYM equations. 34 refs

On poisson-stopped-sums that are mixed poisson

OpenAIRE

Valero Baya, Jordi; Pérez Casany, Marta; Ginebra Molins, Josep

2013-01-01

Maceda (1948) characterized the mixed Poisson distributions that are Poisson-stopped-sum distributions based on the mixing distribution. In an alternative characterization of the same set of distributions here the Poisson-stopped-sum distributions that are mixed Poisson distributions is proved to be the set of Poisson-stopped-sums of either a mixture of zero-truncated Poisson distributions or a zero-modification of it. Peer Reviewed

Computation of solar perturbations with Poisson series

Science.gov (United States)

Broucke, R.

1974-01-01

Description of a project for computing first-order perturbations of natural or artificial satellites by integrating the equations of motion on a computer with automatic Poisson series expansions. A basic feature of the method of solution is that the classical variation-of-parameters formulation is used rather than rectangular coordinates. However, the variation-of-parameters formulation uses the three rectangular components of the disturbing force rather than the classical disturbing function, so that there is no problem in expanding the disturbing function in series. Another characteristic of the variation-of-parameters formulation employed is that six rather unusual variables are used in order to avoid singularities at the zero eccentricity and zero (or 90 deg) inclination. The integration process starts by assuming that all the orbit elements present on the right-hand sides of the equations of motion are constants. These right-hand sides are then simple Poisson series which can be obtained with the use of the Bessel expansions of the two-body problem in conjunction with certain interation methods. These Poisson series can then be integrated term by term, and a first-order solution is obtained.

Self-similarity in incompressible Navier-Stokes equations.

Science.gov (United States)

Ercan, Ali; Kavvas, M Levent

2015-12-01

The self-similarity conditions of the 3-dimensional (3D) incompressible Navier-Stokes equations are obtained by utilizing one-parameter Lie group of point scaling transformations. It is found that the scaling exponents of length dimensions in i = 1, 2, 3 coordinates in 3-dimensions are not arbitrary but equal for the self-similarity of 3D incompressible Navier-Stokes equations. It is also shown that the self-similarity in this particular flow process can be achieved in different time and space scales when the viscosity of the fluid is also scaled in addition to other flow variables. In other words, the self-similarity of Navier-Stokes equations is achievable under different fluid environments in the same or different gravity conditions. Self-similarity criteria due to initial and boundary conditions are also presented. Utilizing the proposed self-similarity conditions of the 3D hydrodynamic flow process, the value of a flow variable at a specified time and space can be scaled to a corresponding value in a self-similar domain at the corresponding time and space.

Decoupling of the nernst-planck and poisson equations. Application to a membrane system at overlimiting currents.

Science.gov (United States)

Urtenov, Mahamet A-Kh; Kirillova, Evgeniya V; Seidova, Natalia M; Nikonenko, Victor V

2007-12-27

This paper deals with one-dimensional stationary Nernst-Planck and Poisson (NPP) equations describing ion electrodiffusion in multicomponent solution/electrode or ion-conductive membrane systems. A general method for resolving ordinary and singularly perturbed problems with these equations is developed. This method is based on the decoupling of NPP equations that results in deduction of an equation containing only the terms with different powers of the electrical field and its derivatives. Then, the solution of this equation, analytical in several cases or numerical, is substituted into the Nernst-Planck equations for calculating the concentration profile for each ion present in the system. Different ionic species are grouped in valency classes that allows one to reduce the dimension of the original set of equations and leads to a relatively easy treatment of multi-ion systems. When applying the method developed, the main attention is paid to ion transfer at limiting and overlimiting currents, where a significant deviation from local electroneutrality occurs. The boundary conditions and different approximations are examined: the local electroneutrality (LEN) assumption and the original assumption of quasi-uniform distribution of the space charge density (QCD). The relations between the ion fluxes at limiting and overlimiting currents are discussed. In particular, attention is paid to the "exaltation" of counterion transfer toward an ion-exchange membrane by co-ion flux leaking through the membrane or generated at the membrane/solution interface. The structure of the multi-ion concentration field in a depleted diffusion boundary layer (DBL) near an ion-exchange membrane at overlimiting currents is analyzed. The presence of salt ions and hydrogen and hydroxyl ions generated in the course of the water "splitting" reaction is considered. The thickness of the DBL and its different zones, as functions of applied current density, are found by fitting experimental current

Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and the Bethe–Salpeter equation

Science.gov (United States)

Ziaei, Vafa; Bredow, Thomas

2018-05-01

An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key in understanding complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al (2018 Nat. Commun. 9 247) predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA values by Gaiduk et al (2018 Nat. Commun. 9 247) by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via the Bethe–Salpeter equation (BSE). Only within such a self-consistent approach a simultanously accurate prediction of IP, EA, Eg, Eb is possible.

The numerical multiconfiguration self-consistent field approach for atoms

International Nuclear Information System (INIS)

Stiehler, Johannes

1995-12-01

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

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

On the consistent solution of the gap-equation for spontaneously broken λΦ4-theory

International Nuclear Information System (INIS)

Nachbagauer, H.

1994-10-01

A self-consistent solution of the finite temperature gap-equation for λΦ 4 theory beyond the Hartree-Fock approximation is presented using a composite operator effective action. It was found that in a spontaneously broken theory not only the so-called daisy and super daisy graphs contribute to the re summed mass, but also re summed non-local diagrams are of the same order, thus altering the effective mass for small values of the latter. (author). 10 refs., 3 figs., 1 tab

Risk Sensitive Filtering with Poisson Process Observations

International Nuclear Information System (INIS)

Malcolm, W. P.; James, M. R.; Elliott, R. J.

2000-01-01

In this paper we consider risk sensitive filtering for Poisson process observations. Risk sensitive filtering is a type of robust filtering which offers performance benefits in the presence of uncertainties. We derive a risk sensitive filter for a stochastic system where the signal variable has dynamics described by a diffusion equation and determines the rate function for an observation process. The filtering equations are stochastic integral equations. Computer simulations are presented to demonstrate the performance gain for the risk sensitive filter compared with the risk neutral filter

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.

Reference manual for the POISSON/SUPERFISH Group of Codes

Energy Technology Data Exchange (ETDEWEB)

1987-01-01

The POISSON/SUPERFISH Group codes were set up to solve two separate problems: the design of magnets and the design of rf cavities in a two-dimensional geometry. The first stage of either problem is to describe the layout of the magnet or cavity in a way that can be used as input to solve the generalized Poisson equation for magnets or the Helmholtz equations for cavities. The computer codes require that the problems be discretized by replacing the differentials (dx,dy) by finite differences ({delta}X,{delta}Y). Instead of defining the function everywhere in a plane, the function is defined only at a finite number of points on a mesh in the plane.

Contravariant gravity on Poisson manifolds and Einstein gravity

International Nuclear Information System (INIS)

Kaneko, Yukio; Watamura, Satoshi; Muraki, Hisayoshi

2017-01-01

A relation between gravity on Poisson manifolds proposed in Asakawa et al (2015 Fortschr. Phys . 63 683–704) and Einstein gravity is investigated. The compatibility of the Poisson and Riemann structures defines a unique connection, the contravariant Levi-Civita connection, and leads to the idea of the contravariant gravity. The Einstein–Hilbert-type action yields an equation of motion which is written in terms of the analog of the Einstein tensor, and it includes couplings between the metric and the Poisson tensor. The study of the Weyl transformation reveals properties of those interactions. It is argued that this theory can have an equivalent description as a system of Einstein gravity coupled to matter. As an example, it is shown that the contravariant gravity on a two-dimensional Poisson manifold can be described by a real scalar field coupled to the metric in a specific manner. (paper)

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

Self-consistent description of the SHFB equations for 112Sn

Science.gov (United States)

Ghafouri, M.; Sadeghi, H.; Torkiha, M.

2018-03-01

The Hartree-Fock (HF) method is an excellent approximation of the closed shell magic nuclei. Pair correlation is essential for the description of open shell nuclei and has been derived for even-even, odd-odd and even-odd nuclei. These effects are reported by Hartree-Fock with BCS (HFBCS) or Hartree-Fock-Bogolyubov (HFB). These issues have been investigated, especially in the nuclear charts, and such studies have been compared with the observed information. We compute observations such as total binding energy, charge radius, densities, separation energies, pairing gaps and potential energy surfaces for neutrons and protons, and compare them with experimental data and the result of the spherical codes. In spherical even-even neutron-rich nuclei are considered in the Skyrme-Hartree-Fock-Bogolyubov (SHFB) method with density-dependent pairing interaction. Zero-range density-dependent interactions is used in the pairing channel. We solve SHF or SHFB equations in the spatial coordinates with spherical symmetry for tin isotopes such as 112Sn. The numerical accuracy of solving equations in the coordinate space is much greater than the fundamental extensions, which yields almost precise results.

A new approach to the self-dual Yang-Mills equations

International Nuclear Information System (INIS)

Takasaki, K.

1984-01-01

Inspired by Sato's new theory for soliton equations, we find a new approach to the self-dual Yang-Mills equations. We first establish a correspondence of solutions between the self-dual Yang-Mills equations and a new system of equations with infinitely many unknown functions. It then turns out that the latter equations can be easily solved by a simple explicit procedure. This leads to an explicit description of a very broad class of solutions to the self-dual Yang-Mills equations, and also to a construction of transformations acting on these solutions. (orig.)

Zeroth Poisson Homology, Foliated Cohomology and Perfect Poisson Manifolds

Science.gov (United States)

Martínez-Torres, David; Miranda, Eva

2018-01-01

We prove that, for compact regular Poisson manifolds, the zeroth homology group is isomorphic to the top foliated cohomology group, and we give some applications. In particular, we show that, for regular unimodular Poisson manifolds, top Poisson and foliated cohomology groups are isomorphic. Inspired by the symplectic setting, we define what a perfect Poisson manifold is. We use these Poisson homology computations to provide families of perfect Poisson manifolds.

The linearized pressure Poisson equation for global instability analysis of incompressible flows

Science.gov (United States)

Theofilis, Vassilis

2017-12-01

The linearized pressure Poisson equation (LPPE) is used in two and three spatial dimensions in the respective matrix-forming solution of the BiGlobal and TriGlobal eigenvalue problem in primitive variables on collocated grids. It provides a disturbance pressure boundary condition which is compatible with the recovery of perturbation velocity components that satisfy exactly the linearized continuity equation. The LPPE is employed to analyze instability in wall-bounded flows and in the prototype open Blasius boundary layer flow. In the closed flows, excellent agreement is shown between results of the LPPE and those of global linear instability analyses based on the time-stepping nektar++, Semtex and nek5000 codes, as well as with those obtained from the FreeFEM++ matrix-forming code. In the flat plate boundary layer, solutions extracted from the two-dimensional LPPE eigenvector at constant streamwise locations are found to be in very good agreement with profiles delivered by the NOLOT/PSE space marching code. Benchmark eigenvalue data are provided in all flows analyzed. The performance of the LPPE is seen to be superior to that of the commonly used pressure compatibility (PC) boundary condition: at any given resolution, the discrete part of the LPPE eigenspectrum contains converged and not converged, but physically correct, eigenvalues. By contrast, the PC boundary closure delivers some of the LPPE eigenvalues and, in addition, physically wrong eigenmodes. It is concluded that the LPPE should be used in place of the PC pressure boundary closure, when BiGlobal or TriGlobal eigenvalue problems are solved in primitive variables by the matrix-forming approach on collocated grids.

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.

Prescription-induced jump distributions in multiplicative Poisson processes.

Science.gov (United States)

Suweis, Samir; Porporato, Amilcare; Rinaldo, Andrea; Maritan, Amos

2011-06-01

Generalized Langevin equations (GLE) with multiplicative white Poisson noise pose the usual prescription dilemma leading to different evolution equations (master equations) for the probability distribution. Contrary to the case of multiplicative Gaussian white noise, the Stratonovich prescription does not correspond to the well-known midpoint (or any other intermediate) prescription. By introducing an inertial term in the GLE, we show that the Itô and Stratonovich prescriptions naturally arise depending on two time scales, one induced by the inertial term and the other determined by the jump event. We also show that, when the multiplicative noise is linear in the random variable, one prescription can be made equivalent to the other by a suitable transformation in the jump probability distribution. We apply these results to a recently proposed stochastic model describing the dynamics of primary soil salinization, in which the salt mass balance within the soil root zone requires the analysis of different prescriptions arising from the resulting stochastic differential equation forced by multiplicative white Poisson noise, the features of which are tailored to the characters of the daily precipitation. A method is finally suggested to infer the most appropriate prescription from the data.

Prescription-induced jump distributions in multiplicative Poisson processes

Science.gov (United States)

Suweis, Samir; Porporato, Amilcare; Rinaldo, Andrea; Maritan, Amos

2011-06-01

Generalized Langevin equations (GLE) with multiplicative white Poisson noise pose the usual prescription dilemma leading to different evolution equations (master equations) for the probability distribution. Contrary to the case of multiplicative Gaussian white noise, the Stratonovich prescription does not correspond to the well-known midpoint (or any other intermediate) prescription. By introducing an inertial term in the GLE, we show that the Itô and Stratonovich prescriptions naturally arise depending on two time scales, one induced by the inertial term and the other determined by the jump event. We also show that, when the multiplicative noise is linear in the random variable, one prescription can be made equivalent to the other by a suitable transformation in the jump probability distribution. We apply these results to a recently proposed stochastic model describing the dynamics of primary soil salinization, in which the salt mass balance within the soil root zone requires the analysis of different prescriptions arising from the resulting stochastic differential equation forced by multiplicative white Poisson noise, the features of which are tailored to the characters of the daily precipitation. A method is finally suggested to infer the most appropriate prescription from the data.

Using PIV to determine relative pressures in a stenotic phantom under steady flow based on the pressure-poisson equation.

Science.gov (United States)

Khodarahmi, Iman; Shakeri, Mostafa; Sharp, M; Amini, Amir A

2010-01-01

Pressure gradient across a Gaussian-shaped 87% area stenosis phantom was estimated by solving the pressure Poisson equation (PPE) for a steady flow mimicking the blood flow through the human iliac artery. The velocity field needed to solve the pressure equation was obtained using particle image velocimetry (PIV). A steady flow rate of 46.9 ml/s was used, which corresponds to a Reynolds number of 188 and 595 at the inlet and stenosis throat, respectively (in the range of mean Reynolds number encountered in-vivo). In addition, computational fluid dynamics (CFD) simulation of the same flow was performed. Pressure drops across the stenosis predicted by PPE/PIV and CFD were compared with those measured by a pressure catheter transducer. RMS errors relative to the measurements were 17% and 10% for PPE/PIV and CFD, respectively.

Polynomial Poisson algebras: Gel'fand-Kirillov problem and Poisson spectra

OpenAIRE

Lecoutre, César

2014-01-01

We study the fields of fractions and the Poisson spectra of polynomial Poisson algebras.\\ud \\ud First we investigate a Poisson birational equivalence problem for polynomial Poisson algebras over a field of arbitrary characteristic. Namely, the quadratic Poisson Gel'fand-Kirillov problem asks whether the field of fractions of a Poisson algebra is isomorphic to the field of fractions of a Poisson affine space, i.e. a polynomial algebra such that the Poisson bracket of two generators is equal to...

Poisson structures for reduced non-holonomic systems

International Nuclear Information System (INIS)

Ramos, Arturo

2004-01-01

Borisov, Mamaev and Kilin have recently found certain Poisson structures with respect to which the reduced and rescaled systems of certain non-holonomic problems, involving rolling bodies without slipping, become Hamiltonian, the Hamiltonian function being the reduced energy. We study further the algebraic origin of these Poisson structures, showing that they are of rank 2 and therefore the mentioned rescaling is not necessary. We show that they are determined, up to a non-vanishing factor function, by the existence of a system of first-order differential equations providing two integrals of motion. We generalize the form of the Poisson structures and extend their domain of definition. We apply the theory to the rolling disc, the Routh's sphere, the ball rolling on a surface of revolution, and its special case of a ball rolling inside a cylinder

Spatial discretizations for self-adjoint forms of the radiative transfer equations

International Nuclear Information System (INIS)

Morel, Jim E.; Adams, B. Todd; Noh, Taewan; McGhee, John M.; Evans, Thomas M.; Urbatsch, Todd J.

2006-01-01

There are three commonly recognized second-order self-adjoint forms of the neutron transport equation: the even-parity equations, the odd-parity equations, and the self-adjoint angular flux equations. Because all of these equations contain second-order spatial derivatives and are self-adjoint for the mono-energetic case, standard continuous finite-element discretization techniques have proved quite effective when applied to the spatial variables. We first derive analogs of these equations for the case of time-dependent radiative transfer. The primary unknowns for these equations are functions of the angular intensity rather than the angular flux, hence the analog of the self-adjoint angular flux equation is referred to as the self-adjoint angular intensity equation. Then we describe a general, arbitrary-order, continuous spatial finite-element approach that is applied to each of the three equations in conjunction with backward-Euler differencing in time. We refer to it as the 'standard' technique. We also introduce an alternative spatial discretization scheme for the self-adjoint angular intensity equation that requires far fewer unknowns than the standard method, but appears to give comparable accuracy. Computational results are given that demonstrate the validity of both of these discretization schemes

Fractional Poisson process (II)

International Nuclear Information System (INIS)

Wang Xiaotian; Wen Zhixiong; Zhang Shiying

2006-01-01

In this paper, we propose a stochastic process W H (t)(H-bar (12,1)) which we call fractional Poisson process. The process W H (t) is self-similar in wide sense, displays long range dependence, and has more fatter tail than Gaussian process. In addition, it converges to fractional Brownian motion in distribution

Solution method for the unsteady incompressible Navier-Stokes equations in generalized coordinate systems

International Nuclear Information System (INIS)

Rosenfeld, M.; Kwak, D.; Vinokur, M.

1988-01-01

A solution method based on a fractional step approach is developed for obtaining time-dependent solutions of the three-dimensional, incompressible Navier-Stokes equations in generalized coordinate systems. The governing equations are discretized conservatively by finite volumes using a staggered mesh system. The primitive variable formulation uses the volume fluxes across the faces of each computational cell as dependent variables. This procedure, combined with accurate and consistent approximations of geometric parameters, is done to satisfy the discretized mass conservation equation to machine accuracy as well as to gain favorable convergence properties of the Poisson solver. The discretized equations are second-order-accurate in time and space and no smoothing terms are added. An approximate-factorization scheme is implemented in solving the momentum equations. A novel ZEBRA scheme with four-color ordering is devised for the efficient solution of the Poisson equation. Several two and three-dimensional solutions are compared with other numerical and experimental results to validate the present method. 23 references

Bayesian Estimation Of Shift Point In Poisson Model Under Asymmetric Loss Functions

Directory of Open Access Journals (Sweden)

uma srivastava

2012-01-01

Full Text Available The paper deals with estimating  shift point which occurs in any sequence of independent observations  of Poisson model in statistical process control. This shift point occurs in the sequence when  i.e. m  life data are observed. The Bayes estimator on shift point 'm' and before and after shift process means are derived for symmetric and asymmetric loss functions under informative and non informative priors. The sensitivity analysis of Bayes estimators are carried out by simulation and numerical comparisons with  R-programming. The results shows the effectiveness of shift in sequence of Poisson disribution .

Consistency of a system of equations: What does that mean?

NARCIS (Netherlands)

Still, Georg J.; Kern, Walter; Koelewijn, Jaap; Bomhoff, M.J.

2010-01-01

The concept of (structural) consistency also called structural solvability is an important basic tool for analyzing the structure of systems of equations. Our aim is to provide a sound and practically relevant meaning to this concept. The implications of consistency are expressed in terms of

Solution of degenerate hypergeometric system of Horn consisting of three equations

Science.gov (United States)

Tasmambetov, Zhaksylyk N.; Zhakhina, Ryskul U.

2017-09-01

The possibilities of constructing normal-regular solutions of a system consisting of three partial differential equations of the second order are studied by the Frobenius-Latysheva method. The method of determining unknown coefficients is shown and the relationship of the studied system with the system, which solution is Laguerre's polynomial of three variables is indicated. The generalization of the Frobenius-Latysheva method to the case of a system consisting of three equations makes it possible to clarify the relationship of such systems, which solutions are special functions of three variables. These systems include the functions of Whittaker and Bessel, 205 special functions of three variables from the list of M. Srivastava and P.W. Carlsson, as well as orthogonal polynomials of three variables. All this contributes to the further development of the analytic theory of systems consisting of three partial differential equations of the second order.

Performance of the modified Poisson regression approach for estimating relative risks from clustered prospective data.

Science.gov (United States)

Yelland, Lisa N; Salter, Amy B; Ryan, Philip

2011-10-15

Modified Poisson regression, which combines a log Poisson regression model with robust variance estimation, is a useful alternative to log binomial regression for estimating relative risks. Previous studies have shown both analytically and by simulation that modified Poisson regression is appropriate for independent prospective data. This method is often applied to clustered prospective data, despite a lack of evidence to support its use in this setting. The purpose of this article is to evaluate the performance of the modified Poisson regression approach for estimating relative risks from clustered prospective data, by using generalized estimating equations to account for clustering. A simulation study is conducted to compare log binomial regression and modified Poisson regression for analyzing clustered data from intervention and observational studies. Both methods generally perform well in terms of bias, type I error, and coverage. Unlike log binomial regression, modified Poisson regression is not prone to convergence problems. The methods are contrasted by using example data sets from 2 large studies. The results presented in this article support the use of modified Poisson regression as an alternative to log binomial regression for analyzing clustered prospective data when clustering is taken into account by using generalized estimating equations.

On the Fedosov deformation quantization beyond the regular Poisson manifolds

International Nuclear Information System (INIS)

Dolgushev, V.A.; Isaev, A.P.; Lyakhovich, S.L.; Sharapov, A.A.

2002-01-01

A simple iterative procedure is suggested for the deformation quantization of (irregular) Poisson brackets associated to the classical Yang-Baxter equation. The construction is shown to admit a pure algebraic reformulation giving the Universal Deformation Formula (UDF) for any triangular Lie bialgebra. A simple proof of classification theorem for inequivalent UDF's is given. As an example the explicit quantization formula is presented for the quasi-homogeneous Poisson brackets on two-plane

Error-Rate Bounds for Coded PPM on a Poisson Channel

Science.gov (United States)

Moision, Bruce; Hamkins, Jon

2009-01-01

Equations for computing tight bounds on error rates for coded pulse-position modulation (PPM) on a Poisson channel at high signal-to-noise ratio have been derived. These equations and elements of the underlying theory are expected to be especially useful in designing codes for PPM optical communication systems. The equations and the underlying theory apply, more specifically, to a case in which a) At the transmitter, a linear outer code is concatenated with an inner code that includes an accumulator and a bit-to-PPM-symbol mapping (see figure) [this concatenation is known in the art as "accumulate-PPM" (abbreviated "APPM")]; b) The transmitted signal propagates on a memoryless binary-input Poisson channel; and c) At the receiver, near-maximum-likelihood (ML) decoding is effected through an iterative process. Such a coding/modulation/decoding scheme is a variation on the concept of turbo codes, which have complex structures, such that an exact analytical expression for the performance of a particular code is intractable. However, techniques for accurately estimating the performances of turbo codes have been developed. The performance of a typical turbo code includes (1) a "waterfall" region consisting of a steep decrease of error rate with increasing signal-to-noise ratio (SNR) at low to moderate SNR, and (2) an "error floor" region with a less steep decrease of error rate with increasing SNR at moderate to high SNR. The techniques used heretofore for estimating performance in the waterfall region have differed from those used for estimating performance in the error-floor region. For coded PPM, prior to the present derivations, equations for accurate prediction of the performance of coded PPM at high SNR did not exist, so that it was necessary to resort to time-consuming simulations in order to make such predictions. The present derivation makes it unnecessary to perform such time-consuming simulations.

Moments analysis of concurrent Poisson processes

International Nuclear Information System (INIS)

McBeth, G.W.; Cross, P.

1975-01-01

A moments analysis of concurrent Poisson processes has been carried out. Equations are given which relate combinations of distribution moments to sums of products involving the number of counts associated with the processes and the mean rate of the processes. Elimination of background is discussed and equations suitable for processing random radiation, parent-daughter pairs in the presence of background, and triple and double correlations in the presence of background are given. The theory of identification of the four principle radioactive series by moments analysis is discussed. (Auth.)

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…

Solution of Poisson equations for 3-dimensional grid generations. [computations of a flow field over a thin delta wing

Science.gov (United States)

Fujii, K.

1983-01-01

A method for generating three dimensional, finite difference grids about complicated geometries by using Poisson equations is developed. The inhomogenous terms are automatically chosen such that orthogonality and spacing restrictions at the body surface are satisfied. Spherical variables are used to avoid the axis singularity, and an alternating-direction-implicit (ADI) solution scheme is used to accelerate the computations. Computed results are presented that show the capability of the method. Since most of the results presented have been used as grids for flow-field computations, this is indicative that the method is a useful tool for generating three-dimensional grids about complicated geometries.

Quantization with maximally degenerate Poisson brackets: the harmonic oscillator!

International Nuclear Information System (INIS)

Nutku, Yavuz

2003-01-01

Nambu's construction of multi-linear brackets for super-integrable systems can be thought of as degenerate Poisson brackets with a maximal set of Casimirs in their kernel. By introducing privileged coordinates in phase space these degenerate Poisson brackets are brought to the form of Heisenberg's equations. We propose a definition for constructing quantum operators for classical functions, which enables us to turn the maximally degenerate Poisson brackets into operators. They pose a set of eigenvalue problems for a new state vector. The requirement of the single-valuedness of this eigenfunction leads to quantization. The example of the harmonic oscillator is used to illustrate this general procedure for quantizing a class of maximally super-integrable systems

Poisson brackets for fluids and plasmas

International Nuclear Information System (INIS)

Morrison, P.J.

1982-01-01

Noncanonical yet Hamiltonian descriptions are presented of many of the non-dissipative field equations that govern fluids and plasmas. The dynamical variables are the usually encountered physical variables. These descriptions have the advantage that gauge conditions are absent, but at the expense of introducing peculiar Poisson brackets. Clebsch-like potential descriptions that reverse this situations are also introduced

Self-consistent modeling of radio-frequency plasma generation in stellarators

Energy Technology Data Exchange (ETDEWEB)

Moiseenko, V. E., E-mail: moiseenk@ipp.kharkov.ua; Stadnik, Yu. S., E-mail: stadnikys@kipt.kharkov.ua [National Academy of Sciences of Ukraine, National Science Center Kharkov Institute of Physics and Technology (Ukraine); Lysoivan, A. I., E-mail: a.lyssoivan@fz-juelich.de [Royal Military Academy, EURATOM-Belgian State Association, Laboratory for Plasma Physics (Belgium); Korovin, V. B. [National Academy of Sciences of Ukraine, National Science Center Kharkov Institute of Physics and Technology (Ukraine)

2013-11-15

A self-consistent model of radio-frequency (RF) plasma generation in stellarators in the ion cyclotron frequency range is described. The model includes equations for the particle and energy balance and boundary conditions for Maxwell’s equations. The equation of charged particle balance takes into account the influx of particles due to ionization and their loss via diffusion and convection. The equation of electron energy balance takes into account the RF heating power source, as well as energy losses due to the excitation and electron-impact ionization of gas atoms, energy exchange via Coulomb collisions, and plasma heat conduction. The deposited RF power is calculated by solving the boundary problem for Maxwell’s equations. When describing the dissipation of the energy of the RF field, collisional absorption and Landau damping are taken into account. At each time step, Maxwell’s equations are solved for the current profiles of the plasma density and plasma temperature. The calculations are performed for a cylindrical plasma. The plasma is assumed to be axisymmetric and homogeneous along the plasma column. The system of balance equations is solved using the Crank-Nicholson scheme. Maxwell’s equations are solved in a one-dimensional approximation by using the Fourier transformation along the azimuthal and longitudinal coordinates. Results of simulations of RF plasma generation in the Uragan-2M stellarator by using a frame antenna operating at frequencies lower than the ion cyclotron frequency are presented. The calculations show that the slow wave generated by the antenna is efficiently absorbed at the periphery of the plasma column, due to which only a small fraction of the input power reaches the confinement region. As a result, the temperature on the axis of the plasma column remains low, whereas at the periphery it is substantially higher. This leads to strong absorption of the RF field at the periphery via the Landau mechanism.

On terminating Poisson processes in some shock models

Energy Technology Data Exchange (ETDEWEB)

Finkelstein, Maxim, E-mail: FinkelMI@ufs.ac.z [Department of Mathematical Statistics, University of the Free State, Bloemfontein (South Africa); Max Planck Institute for Demographic Research, Rostock (Germany); Marais, Francois, E-mail: fmarais@csc.co [CSC, Cape Town (South Africa)

2010-08-15

A system subject to a point process of shocks is considered. Shocks occur in accordance with the homogeneous Poisson process. Different criteria of system failure (termination) are discussed and the corresponding probabilities of failure (accident)-free performance are derived. The described analytical approach is based on deriving integral equations for each setting and solving these equations through the Laplace transform. Some approximations are analyzed and further generalizations and applications are discussed.

On terminating Poisson processes in some shock models

International Nuclear Information System (INIS)

Finkelstein, Maxim; Marais, Francois

2010-01-01

A system subject to a point process of shocks is considered. Shocks occur in accordance with the homogeneous Poisson process. Different criteria of system failure (termination) are discussed and the corresponding probabilities of failure (accident)-free performance are derived. The described analytical approach is based on deriving integral equations for each setting and solving these equations through the Laplace transform. Some approximations are analyzed and further generalizations and applications are discussed.

A GPU accelerated and error-controlled solver for the unbounded Poisson equation in three dimensions

Science.gov (United States)

Exl, Lukas

2017-12-01

An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled, the overall computation error is driven by the convergence of the finite Fourier series of the density. For smooth and fast-decaying densities the proposed method will be spectrally accurate. The method scales with O(N log N) operations, where N is the total number of discretization points in the Cartesian grid. The majority of the computational costs come from fast Fourier transforms (FFT), which makes it ideal for GPU computation. Several numerical computations on CPU and GPU validate the method and show efficiency and convergence behavior. Tests are performed using the Vienna Scientific Cluster 3 (VSC3). A free MATLAB implementation for CPU and GPU is provided to the interested community.

Self-consistent GW0 results for the electron gas: Fixed screened potential W0 within the random-phase approximation

International Nuclear Information System (INIS)

von Barth, U.; Holm, B.

1996-01-01

With the aim of properly understanding the basis for and the utility of many-body perturbation theory as applied to extended metallic systems, we have calculated the electronic self-energy of the homogeneous electron gas within the GW approximation. The calculation has been carried out in a self-consistent way; i.e., the one-electron Green function obtained from Dyson close-quote s equation is the same as that used to calculate the self-energy. The self-consistency is restricted in the sense that the screened interaction W is kept fixed and equal to that of the random-phase approximation for the gas. We have found that the final results are marginally affected by the broadening of the quasiparticles, and that their self-consistent energies are still close to their free-electron counterparts as they are in non-self-consistent calculations. The reduction in strength of the quasiparticles and the development of satellite structure (plasmons) gives, however, a markedly smaller dynamical self-energy leading to, e.g., a smaller reduction in the quasiparticle strength as compared to non-self-consistent results. The relatively bad description of plasmon structure within the non-self-consistent GW approximation is marginally improved. A first attempt at including W in the self-consistency cycle leads to an even broader and structureless satellite spectrum in disagreement with experiment. copyright 1996 The American Physical Society

Optimal linear filtering of Poisson process with dead time

International Nuclear Information System (INIS)

Glukhova, E.V.

1993-01-01

The paper presents a derivation of an integral equation defining the impulsed transient of optimum linear filtering for evaluation of the intensity of the fluctuating Poisson process with allowance for dead time of transducers

Independent production and Poisson distribution

International Nuclear Information System (INIS)

Golokhvastov, A.I.

1994-01-01

The well-known statement of factorization of inclusive cross-sections in case of independent production of particles (or clusters, jets etc.) and the conclusion of Poisson distribution over their multiplicity arising from it do not follow from the probability theory in any way. Using accurately the theorem of the product of independent probabilities, quite different equations are obtained and no consequences relative to multiplicity distributions are obtained. 11 refs

Null canonical formalism 1, Maxwell field. [Poisson brackets, boundary conditions

Energy Technology Data Exchange (ETDEWEB)

Wodkiewicz, K [Warsaw Univ. (Poland). Inst. Fizyki Teoretycznej

1975-01-01

The purpose of this paper is to formulate the canonical formalism on null hypersurfaces for the Maxwell electrodynamics. The set of the Poisson brackets relations for null variables of the Maxwell field is obtained. The asymptotic properties of the theory are investigated. The Poisson bracket relations for the news-functions of the Maxwell field are computed. The Hamiltonian form of the asymptotic Maxwell equations in terms of these news-functions is obtained.

Normal forms for Poisson maps and symplectic groupoids around Poisson transversals.

Science.gov (United States)

Frejlich, Pedro; Mărcuț, Ioan

2018-01-01

Poisson transversals are submanifolds in a Poisson manifold which intersect all symplectic leaves transversally and symplectically. In this communication, we prove a normal form theorem for Poisson maps around Poisson transversals. A Poisson map pulls a Poisson transversal back to a Poisson transversal, and our first main result states that simultaneous normal forms exist around such transversals, for which the Poisson map becomes transversally linear, and intertwines the normal form data of the transversals. Our second result concerns symplectic integrations. We prove that a neighborhood of a Poisson transversal is integrable exactly when the Poisson transversal itself is integrable, and in that case we prove a normal form theorem for the symplectic groupoid around its restriction to the Poisson transversal, which puts all structure maps in normal form. We conclude by illustrating our results with examples arising from Lie algebras.

General variational many-body theory with complete self-consistency for trapped bosonic systems

International Nuclear Information System (INIS)

Streltsov, Alexej I.; Alon, Ofir E.; Cederbaum, Lorenz S.

2006-01-01

In this work we develop a complete variational many-body theory for a system of N trapped bosons interacting via a general two-body potential. The many-body solution of this system is expanded over orthogonal many-body basis functions (configurations). In this theory both the many-body basis functions and the respective expansion coefficients are treated as variational parameters. The optimal variational parameters are obtained self-consistently by solving a coupled system of noneigenvalue--generally integro-differential--equations to get the one-particle functions and by diagonalizing the secular matrix problem to find the expansion coefficients. We call this theory multiconfigurational Hartree theory for bosons or MCHB(M), where M specifies explicitly the number of one-particle functions used to construct the configurations. General rules for evaluating the matrix elements of one- and two-particle operators are derived and applied to construct the secular Hamiltonian matrix. We discuss properties of the derived equations. We show that in the limiting cases of one configuration the theory boils down to the well-known Gross-Pitaevskii and the recently developed multi-orbital mean fields. The invariance of the complete solution with respect to unitary transformations of the one-particle functions is utilized to find the solution with the minimal number of contributing configurations. In the second part of our work we implement and apply the developed theory. It is demonstrated that for any practical computation where the configurational space is restricted, the description of trapped bosonic systems strongly depends on the choice of the many-body basis set used, i.e., self-consistency is of great relevance. As illustrative examples we consider bosonic systems trapped in one- and two-dimensional symmetric and asymmetric double well potentials. We demonstrate that self-consistency has great impact on the predicted physical properties of the ground and excited states

Existence theory for a Poisson-Nernst-Planck model of electrophoresis

OpenAIRE

Bedin, Luciano; Thompson, Mark

2011-01-01

A system modeling the electrophoretic motion of a charged rigid macromolecule immersed in a incompressible ionized fluid is considered. The ionic concentration is governing by the Nernst-Planck equation coupled with the Poisson equation for the electrostatic potential, Navier-Stokes and Newtonian equations for the fluid and the macromolecule dynamics, respectively. A local in time existence result for suitable weak solutions is established, following the approach of Desjardins and Esteban [Co...

Compound Poisson Approximations for Sums of Random Variables

OpenAIRE

Serfozo, Richard F.

1986-01-01

We show that a sum of dependent random variables is approximately compound Poisson when the variables are rarely nonzero and, given they are nonzero, their conditional distributions are nearly identical. We give several upper bounds on the total-variation distance between the distribution of such a sum and a compound Poisson distribution. Included is an example for Markovian occurrences of a rare event. Our bounds are consistent with those that are known for Poisson approximations for sums of...

Comparison of Poisson structures and Poisson-Lie dynamical r-matrices

OpenAIRE

Enriquez, B.; Etingof, P.; Marshall, I.

2004-01-01

We construct a Poisson isomorphism between the formal Poisson manifolds g^* and G^*, where g is a finite dimensional quasitriangular Lie bialgebra. Here g^* is equipped with its Lie-Poisson (or Kostant-Kirillov-Souriau) structure, and G^* with its Poisson-Lie structure. We also quantize Poisson-Lie dynamical r-matrices of Balog-Feher-Palla.

The cluster bootstrap consistency in generalized estimating equations

KAUST Repository

Cheng, Guang

2013-03-01

The cluster bootstrap resamples clusters or subjects instead of individual observations in order to preserve the dependence within each cluster or subject. In this paper, we provide a theoretical justification of using the cluster bootstrap for the inferences of the generalized estimating equations (GEE) for clustered/longitudinal data. Under the general exchangeable bootstrap weights, we show that the cluster bootstrap yields a consistent approximation of the distribution of the regression estimate, and a consistent approximation of the confidence sets. We also show that a computationally more efficient one-step version of the cluster bootstrap provides asymptotically equivalent inference. © 2012.

On Poisson functions

OpenAIRE

Terashima, Yuji

2008-01-01

In this paper, defining Poisson functions on super manifolds, we show that the graphs of Poisson functions are Dirac structures, and find Poisson functions which include as special cases both quasi-Poisson structures and twisted Poisson structures.

Efficiency optimization of a fast Poisson solver in beam dynamics simulation

Science.gov (United States)

Zheng, Dawei; Pöplau, Gisela; van Rienen, Ursula

2016-01-01

Calculating the solution of Poisson's equation relating to space charge force is still the major time consumption in beam dynamics simulations and calls for further improvement. In this paper, we summarize a classical fast Poisson solver in beam dynamics simulations: the integrated Green's function method. We introduce three optimization steps of the classical Poisson solver routine: using the reduced integrated Green's function instead of the integrated Green's function; using the discrete cosine transform instead of discrete Fourier transform for the Green's function; using a novel fast convolution routine instead of an explicitly zero-padded convolution. The new Poisson solver routine preserves the advantages of fast computation and high accuracy. This provides a fast routine for high performance calculation of the space charge effect in accelerators.

Self-similar solutions of the modified nonlinear schrodinger equation

International Nuclear Information System (INIS)

Kitaev, A.V.

1986-01-01

This paper considers a 2 x 2 matrix linear ordinary differential equation with large parameter t and irregular singular point of fourth order at infinity. The leading order of the monodromy data of this equation is calculated in terms of its coefficients. Isomonodromic deformations of the equation are self-similar solutions of the modified nonlinear Schrodinger equation, and therefore inversion of the expressions obtained for the monodromy data gives the leading term in the time-asymptotic behavior of the self-similar solution. The application of these results to the type IV Painleve equation is considered in detail

Action principles for the Vlasov equation

International Nuclear Information System (INIS)

Ye, H.; Morrison, P.J.

1992-01-01

Five action principles for the Vlasov--Poisson and Vlasov--Maxwell equations, which differ by the variables incorporated to describe the distribution of particles in phase space, are presented. Three action principles previously known for the Vlasov--Maxwell equations are altered so as to produce the Vlasov--Poisson equation upon variation with respect to only the particle variables, and one action principle previously known for the Vlasov--Poisson equation is altered to produce the Vlasov--Maxwell equations upon variations with respect to particle and field variables independently. Also, a new action principle for both systems, which is called the leaf action, is presented. This new action has the desirable features of using only a single generating function as the dynamical variable for describing the particle distribution, and manifestly preserving invariants of the system known as Casimir invariants. The relationships between the various actions are described, and it is shown that the leaf action is a link between actions written in terms of Lagrangian and Eulerian variables

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

We consider an interacting one-dimensional molecular wire attached to two metal electrodes on either side of it. The electrostatic potential profile across the wire-electrode interface has been deduced solving the Schrodinger and Poisson equations self-consistently. Since the Poisson distribution crucially depends on ...

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

Science.gov (United States)

Cohen, Bruce; Umansky, Maxim

2013-10-01

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

Self-consistent treatment of nuclear collective motion with an application to the giant-dipole resonance

International Nuclear Information System (INIS)

Liran, S.; Technion-Israel Inst. of Tech., Haifa. Dept. of Physics)

1977-01-01

This paper extends the recent theory of Liran, Scheefer, Scheid and Greiner on non-adiabatic cranking and nuclear collective motion. In the present work we show the self-consistency conditions for the collective motion, which are indicated by appropriate time-dependent Lagrange multipliers, can be treated explicitly. The energy conservation and the self-consistency condition in the case of one collective degree of freedom are expressed in differential form. This leads to a set of coupled differential equations in time for the many-body wave function, for the collective variable and for the Lagrange multiplier. An iteration procedure similar to that of the previous work is also presented. As an illustrative example, we investigate Brink's single-particle description of the giant-dipole resonance. In this case, the important role played by non-adiabaticity and self-consistency in determining the collective motion is demonstrated and discussed. We also consider the fact that in this example of a fast collective motion, the adiabatic cranking model of Inglis gives the correct mass parameter. (orig.) [de

The concept of coupling impedance in the self-consistent plasma wake field excitation

International Nuclear Information System (INIS)

Fedele, R.; Akhter, T.; De Nicola, S.; Migliorati, M.; Marocchino, A.; Massimo, F.; Palumbo, L.

2016-01-01

Within the framework of the Vlasov–Maxwell system of equations, we describe the self-consistent interaction of a relativistic charged-particle beam with the surroundings while propagating through a plasma-based acceleration device. This is done in terms of the concept of coupling (longitudinal) impedance in full analogy with the conventional accelerators. It is shown that also here the coupling impedance is a very useful tool for the Nyquist-type stability analysis. Examples of specific physical situations are finally illustrated.

Numerical solution of plasma fluid equations using locally refined grids

International Nuclear Information System (INIS)

Colella, P.

1997-01-01

This paper describes a numerical method for the solution of plasma fluid equations on block-structured, locally refined grids. The plasma under consideration is typical of those used for the processing of semiconductors. The governing equations consist of a drift-diffusion model of the electrons and an isothermal model of the ions coupled by Poisson's equation. A discretization of the equations is given for a uniform spatial grid, and a time-split integration scheme is developed. The algorithm is then extended to accommodate locally refined grids. This extension involves the advancement of the discrete system on a hierarchy of levels, each of which represents a degree of refinement, together with synchronization steps to ensure consistency across levels. A brief discussion of a software implementation is followed by a presentation of numerical results

Self-consistent mean field theory studies of the thermodynamics and quantum spin dynamics of magnetic Skyrmions.

Science.gov (United States)

Wieser, R

2017-05-04

A self-consistent mean field theory is introduced and used to investigate the thermodynamics and spin dynamics of an S  =  1 quantum spin system with a magnetic Skyrmion. The temperature dependence of the Skyrmion profile as well as the phase diagram are calculated. In addition, the spin dynamics of a magnetic Skyrmion is described by solving the time dependent Schrödinger equation with additional damping term. The Skyrmion annihilation process driven by an electric field is used to compare the trajectories of the quantum mechanical simulation with a semi-classical description for the spin expectation values using a differential equation similar to the classical Landau-Lifshitz-Gilbert equation.

Formal equivalence of Poisson structures around Poisson submanifolds

NARCIS (Netherlands)

Marcut, I.T.

2012-01-01

Let (M,π) be a Poisson manifold. A Poisson submanifold P ⊂ M gives rise to a Lie algebroid AP → P. Formal deformations of π around P are controlled by certain cohomology groups associated to AP. Assuming that these groups vanish, we prove that π is formally rigid around P; that is, any other Poisson

Regularization parameter selection methods for ill-posed Poisson maximum likelihood estimation

International Nuclear Information System (INIS)

Bardsley, Johnathan M; Goldes, John

2009-01-01

In image processing applications, image intensity is often measured via the counting of incident photons emitted by the object of interest. In such cases, image data noise is accurately modeled by a Poisson distribution. This motivates the use of Poisson maximum likelihood estimation for image reconstruction. However, when the underlying model equation is ill-posed, regularization is needed. Regularized Poisson likelihood estimation has been studied extensively by the authors, though a problem of high importance remains: the choice of the regularization parameter. We will present three statistically motivated methods for choosing the regularization parameter, and numerical examples will be presented to illustrate their effectiveness

(Quasi-)Poisson enveloping algebras

OpenAIRE

Yang, Yan-Hong; Yao, Yuan; Ye, Yu

2010-01-01

We introduce the quasi-Poisson enveloping algebra and Poisson enveloping algebra for a non-commutative Poisson algebra. We prove that for a non-commutative Poisson algebra, the category of quasi-Poisson modules is equivalent to the category of left modules over its quasi-Poisson enveloping algebra, and the category of Poisson modules is equivalent to the category of left modules over its Poisson enveloping algebra.

Least-Squares PN Formulation of the Transport Equation Using Self-Adjoint-Angular-Flux Consistent Boundary Conditions

Energy Technology Data Exchange (ETDEWEB)

Laboure, Vincent M.; Wang, Yaqi; DeHart, Mark D.

2016-05-01

In this paper, we study the Least-Squares (LS) PN form of the transport equation compatible with voids [1] in the context of Continuous Finite Element Methods (CFEM).We first deriveweakly imposed boundary conditions which make the LS weak formulation equivalent to the Self-Adjoint Angular Flux (SAAF) variational formulation with a void treatment [2], in the particular case of constant cross-sections and a uniform mesh. We then implement this method in Rattlesnake with the Multiphysics Object Oriented Simulation Environment (MOOSE) framework [3] using a spherical harmonics (PN) expansion to discretize in angle. We test our implementation using the Method of Manufactured Solutions (MMS) and find the expected convergence behavior both in angle and space. Lastly, we investigate the impact of the global non-conservation of LS by comparing the method with SAAF on a heterogeneous test problem.

Least-Squares PN Formulation of the Transport Equation Using Self-Adjoint-Angular-Flux Consistent Boundary Conditions.

Energy Technology Data Exchange (ETDEWEB)

Vincent M. Laboure; Yaqi Wang; Mark D. DeHart

2016-05-01

In this paper, we study the Least-Squares (LS) PN form of the transport equation compatible with voids in the context of Continuous Finite Element Methods (CFEM).We first deriveweakly imposed boundary conditions which make the LS weak formulation equivalent to the Self-Adjoint Angular Flux (SAAF) variational formulation with a void treatment, in the particular case of constant cross-sections and a uniform mesh. We then implement this method in Rattlesnake with the Multiphysics Object Oriented Simulation Environment (MOOSE) framework using a spherical harmonics (PN) expansion to discretize in angle. We test our implementation using the Method of Manufactured Solutions (MMS) and find the expected convergence behavior both in angle and space. Lastly, we investigate the impact of the global non-conservation of LS by comparing the method with SAAF on a heterogeneous test problem.

Numerical solutions of the Vlasov equation

International Nuclear Information System (INIS)

Satofuka, Nobuyuki; Morinishi, Koji; Nishida, Hidetoshi

1985-01-01

A numerical procedure is derived for the solutions of the one- and two-dimensional Vlasov-Poisson system equations. This numerical procedure consists of the phase space discretization and the integration of the resulting set of ordinary differential equations. In the phase space discretization, derivatives with respect to the phase space variable are approximated by a weighted sum of the values of the distribution function at properly chosen neighboring points. Then, the resulting set of ordinary differential equations is solved by using an appropriate time integration scheme. The results for linear Landau damping, nonlinear Landau damping and counter-streaming plasmas are investigated and compared with those of the splitting scheme. The proposed method is found to be very accurate and efficient. (author)

Averaged RMHD equations

International Nuclear Information System (INIS)

Ichiguchi, Katsuji

1998-01-01

A new reduced set of resistive MHD equations is derived by averaging the full MHD equations on specified flux coordinates, which is consistent with 3D equilibria. It is confirmed that the total energy is conserved and the linearized equations for ideal modes are self-adjoint. (author)

Self-consistent description of dipole states taking into account the one-particle continuum

International Nuclear Information System (INIS)

Gareev, F.A.; Ershov, S.N.; Pyatov, N.I.; Fayans, S.A.; Salamov, D.I.

1981-01-01

A self-consistent translationally invariant model with separable effective interactions is used to describe the dipole excitations of spherical nuclei. The equations for the effective field are solved in the coordinate representation, taking the one-particle continuum into account exactly. This makes it possible to obtain the escape widths of excitations with energy above the nucleon-emission threshold. We calculate the energies, B(E1), strength functions, escape widths, and transition densities of the dipole states for a number of light and heavy nuclei

Measuring Poisson Ratios at Low Temperatures

Science.gov (United States)

Boozon, R. S.; Shepic, J. A.

1987-01-01

Simple extensometer ring measures bulges of specimens in compression. New method of measuring Poisson's ratio used on brittle ceramic materials at cryogenic temperatures. Extensometer ring encircles cylindrical specimen. Four strain gauges connected in fully active Wheatstone bridge self-temperature-compensating. Used at temperatures as low as liquid helium.

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

Poisson Autoregression

DEFF Research Database (Denmark)

Fokianos, Konstantinos; Rahbek, Anders Christian; Tjøstheim, Dag

This paper considers geometric ergodicity and likelihood based inference for linear and nonlinear Poisson autoregressions. In the linear case the conditional mean is linked linearly to its past values as well as the observed values of the Poisson process. This also applies to the conditional...... variance, implying an interpretation as an integer valued GARCH process. In a nonlinear conditional Poisson model, the conditional mean is a nonlinear function of its past values and a nonlinear function of past observations. As a particular example an exponential autoregressive Poisson model for time...

Poisson Autoregression

DEFF Research Database (Denmark)

Fokianos, Konstantinos; Rahbæk, Anders; Tjøstheim, Dag

This paper considers geometric ergodicity and likelihood based inference for linear and nonlinear Poisson autoregressions. In the linear case the conditional mean is linked linearly to its past values as well as the observed values of the Poisson process. This also applies to the conditional...... variance, making an interpretation as an integer valued GARCH process possible. In a nonlinear conditional Poisson model, the conditional mean is a nonlinear function of its past values and a nonlinear function of past observations. As a particular example an exponential autoregressive Poisson model...

Consistent equations for interacting gauge fields of all spins in 3+1 dimensions

Energy Technology Data Exchange (ETDEWEB)

Vasiliev, M A [AN SSSR, Moscow. Inst. Teoreticheskoj Fiziki (USSR)

1990-07-05

Consistent equations of motion of interacting gauge fields of all spins in 3+1 dimensions are formulated in a closed form. These equations are explicitly general coordinate invariant, possess all necessary higher spin gauge symmetries and reduce to the usual equations of free massless fields of all spins s=0, 1/2, 1, ..., {infinity} at the linearized level. In the spin-2 sector, the proposed equations are equivalent to the Einstein equations with the cosmological term. (orig.).

Quasineutral Limit of the Schrödinger-Poisson System in Coulomb Gauge

OpenAIRE

Lin, Chi-Kun; Wong, Yau-Shu; Wu, Kung-Chien

2012-01-01

The zero Debye length asymptotic of the Schrödinger-Poisson system in Coulomb gauge for ill-prepared initial data is studied. We prove that when the scaled Debye length λ → 0, the current density defined by the solution of the Schrödinger-Poisson system in the Coulomb gauge converges to the solution of the rotating incompressible Euler equation plus a fast singular oscillating gradient vector field.

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...

A self-consistent nonlinear theory of resistive-wall instability in a relativistic electron beam

International Nuclear Information System (INIS)

Uhm, H.S.

1994-01-01

A self-consistent nonlinear theory of resistive-wall instability is developed for a relativistic electron beam propagating through a grounded cylindrical resistive tube. The theory is based on the assumption that the frequency of the resistive-wall instability is lower than the cutoff frequency of the waveguide. The theory is concentrated on study of the beam current modulation directly related to the resistive-wall klystron, in which a relativistic electron beam is modulated at the first cavity and propagates downstream through the resistive wall. Because of the self-excitation of the space charge waves by the resistive-wall instability, a highly nonlinear current modulation of the electron beam is accomplished as the beam propagates downstream. A partial integrodifferential equation is obtained in terms of the initial energy modulation (ε), the self-field effects (h), and the resistive-wall effects (κ). Analytically investigating the partial integrodifferential equation, a scaling law of the propagation distance z m at which the maximum current modulation occurs is obtained. It is found in general that the self-field effects dominate over the resistive-wall effects at the beginning of the propagation. As the beam propagates farther downstream, the resistive-wall effects dominate. Because of a relatively large growth rate of the instability, the required tube length of the klystron is short for most applications

Self-consistent collective coordinate method for large amplitude collective motions

International Nuclear Information System (INIS)

Sakata, F.; Hashimoto, Y.; Marumori, T.; Une, T.

1982-01-01

A recent development of the self-consistent collective coordinate method is described. The self-consistent collective coordinate method was proposed on the basis of the fundamental principle called the invariance principle of the Schroedinger equation. If this is formulated within a framework of the time dependent Hartree Fock (TDHF) theory, a classical version of the theory is obtained. A quantum version of the theory is deduced by formulating it within a framework of the unitary transformation method with auxiliary bosons. In this report, the discussion is concentrated on a relation between the classical theory and the quantum theory, and an applicability of the classical theory. The aim of the classical theory is to extract a maximally decoupled collective subspace out of a huge dimensional 1p - 1h parameter space introduced by the TDHF theory. An intimate similarity between the classical theory and a full quantum boson expansion method (BEM) was clarified. Discussion was concentrated to a simple Lipkin model. Then a relation between the BEM and the unitary transformation method with auxiliary bosons was discussed. It became clear that the quantum version of the theory had a strong relation to the BEM, and that the BEM was nothing but a quantum analogue of the present classical theory. The present theory was compared with the full TDHF calculation by using a simple model. (Kato, T.)

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)

A one-level FETI method for the drift–diffusion-Poisson system with discontinuities at an interface

KAUST Repository

Baumgartner, Stefan

2013-06-01

A 3d feti method for the drift-diffusion-Poisson system including discontinuities at a 2d interface is developed. The motivation for this work is to provide a parallel numerical algorithm for a system of PDEs that are the basic model equations for the simulation of semiconductor devices such as transistors and sensors. Moreover, discontinuities or jumps in the potential and its normal derivative at a 2d surface are included for the simulation of nanowire sensors based on a homogenized model. Using the feti method, these jump conditions can be included with the usual numerical properties and the original Farhat-Roux feti method is extended to the drift-diffusion-Poisson equations including discontinuities. We show two numerical examples. The first example verifies the correct implementation including the discontinuities on a 2d grid divided into eight subdomains. The second example is 3d and shows the application of the algorithm to the simulation of nanowire sensors with high aspect ratios. The Poisson-Boltzmann equation and the drift-diffusion-Poisson system with jump conditions are solved on a 3d grid with real-world boundary conditions. © 2013 Elsevier Inc..

Modified Poisson eigenfunctions for electrostatic Bernstein--Greene--Kruskal equilibria

International Nuclear Information System (INIS)

Ling, K.; Abraham-Shrauner, B.

1981-01-01

The stability of an electrostatic Bernstein--Greene--Kruskal equilibrium by Lewis and Symon's general linear stability analysis for spatially inhomogeneous Vlasov equilibria, which employs eigenfunctions and eigenvalues of the equilibrium Liouville operator and the modified Poisson operator, is considered. Analytic expressions for the Liouville eigenfuctions and eigenvalues have already been given; approximate analytic expressions for the dominant eigenfunction and eigenvalue of the modified Poisson operator are given. In the kinetic limit three methods are given: (i) the perturbation method, (ii) the Rayleigh--Ritz method, and (iii) a method based on a Hill's equation. In the fluid limit the Rayleigh--Ritz method is used. The dominant eigenfunction and eigenvalue are then substituted in the dispersion relation and the growth rate calculated. The growth rate agrees very well with previous results found by numerical simulation and by modified Poisson eigenfunctions calculated numerically

Self-consistent modeling of plasma response to impurity spreading from intense localized source

International Nuclear Information System (INIS)

Koltunov, Mikhail

2012-07-01

Non-hydrogen impurities unavoidably exist in hot plasmas of present fusion devices. They enter it intrinsically, due to plasma interaction with the wall of vacuum vessel, as well as are seeded for various purposes deliberately. Normally, the spots where injected particles enter the plasma are much smaller than its total surface. Under such conditions one has to expect a significant modification of local plasma parameters through various physical mechanisms, which, in turn, affect the impurity spreading. Self-consistent modeling of interaction between impurity and plasma is, therefore, not possible with linear approaches. A model based on the fluid description of electrons, main and impurity ions, and taking into account the plasma quasi-neutrality, Coulomb collisions of background and impurity charged particles, radiation losses, particle transport to bounding surfaces, is elaborated in this work. To describe the impurity spreading and the plasma response self-consistently, fluid equations for the particle, momentum and energy balances of various plasma components are solved by reducing them to ordinary differential equations for the time evolution of several parameters characterizing the solution in principal details: the magnitudes of plasma density and plasma temperatures in the regions of impurity localization and the spatial scales of these regions. The results of calculations for plasma conditions typical in tokamak experiments with impurity injection are presented. A new mechanism for the condensation phenomenon and formation of cold dense plasma structures is proposed.

Poisson Coordinates.

Science.gov (United States)

Li, Xian-Ying; Hu, Shi-Min

2013-02-01

Harmonic functions are the critical points of a Dirichlet energy functional, the linear projections of conformal maps. They play an important role in computer graphics, particularly for gradient-domain image processing and shape-preserving geometric computation. We propose Poisson coordinates, a novel transfinite interpolation scheme based on the Poisson integral formula, as a rapid way to estimate a harmonic function on a certain domain with desired boundary values. Poisson coordinates are an extension of the Mean Value coordinates (MVCs) which inherit their linear precision, smoothness, and kernel positivity. We give explicit formulas for Poisson coordinates in both continuous and 2D discrete forms. Superior to MVCs, Poisson coordinates are proved to be pseudoharmonic (i.e., they reproduce harmonic functions on n-dimensional balls). Our experimental results show that Poisson coordinates have lower Dirichlet energies than MVCs on a number of typical 2D domains (particularly convex domains). As well as presenting a formula, our approach provides useful insights for further studies on coordinates-based interpolation and fast estimation of harmonic functions.

A network thermodynamic method for numerical solution of the Nernst-Planck and Poisson equation system with application to ionic transport through membranes.

Science.gov (United States)

Horno, J; González-Caballero, F; González-Fernández, C F

1990-01-01

Simple techniques of network thermodynamics are used to obtain the numerical solution of the Nernst-Planck and Poisson equation system. A network model for a particular physical situation, namely ionic transport through a thin membrane with simultaneous diffusion, convection and electric current, is proposed. Concentration and electric field profiles across the membrane, as well as diffusion potential, have been simulated using the electric circuit simulation program, SPICE. The method is quite general and extremely efficient, permitting treatments of multi-ion systems whatever the boundary and experimental conditions may be.

A Combined Self-Consistent Method to Estimate the Effective Properties of Polypropylene/Calcium Carbonate Composites

Directory of Open Access Journals (Sweden)

Zhongqiang Xiong

2018-01-01

Full Text Available In this work, trying to avoid difficulty of application due to the irregular filler shapes in experiments, self-consistent and differential self-consistent methods were combined to obtain a decoupled equation. The combined method suggests a tenor γ independent of filler-contents being an important connection between high and low filler-contents. On one hand, the constant parameter can be calculated by Eshelby’s inclusion theory or the Mori–Tanaka method to predict effective properties of composites coinciding with its hypothesis. On the other hand, the parameter can be calculated with several experimental results to estimate the effective properties of prepared composites of other different contents. In addition, an evaluation index σ f ′ of the interactional strength between matrix and fillers is proposed based on experiments. In experiments, a hyper-dispersant was synthesized to prepare polypropylene/calcium carbonate (PP/CaCO3 composites up to 70 wt % of filler-content with dispersion, whose dosage was only 5 wt % of the CaCO3 contents. Based on several verifications, it is hoped that the combined self-consistent method is valid for other two-phase composites in experiments with the same application progress as in this work.

AP-Cloud: Adaptive Particle-in-Cloud method for optimal solutions to Vlasov–Poisson equation

International Nuclear Information System (INIS)

Wang, Xingyu; Samulyak, Roman; Jiao, Xiangmin; Yu, Kwangmin

2016-01-01

We propose a new adaptive Particle-in-Cloud (AP-Cloud) method for obtaining optimal numerical solutions to the Vlasov–Poisson equation. Unlike the traditional particle-in-cell (PIC) method, which is commonly used for solving this problem, the AP-Cloud adaptively selects computational nodes or particles to deliver higher accuracy and efficiency when the particle distribution is highly non-uniform. Unlike other adaptive techniques for PIC, our method balances the errors in PDE discretization and Monte Carlo integration, and discretizes the differential operators using a generalized finite difference (GFD) method based on a weighted least square formulation. As a result, AP-Cloud is independent of the geometric shapes of computational domains and is free of artificial parameters. Efficient and robust implementation is achieved through an octree data structure with 2:1 balance. We analyze the accuracy and convergence order of AP-Cloud theoretically, and verify the method using an electrostatic problem of a particle beam with halo. Simulation results show that the AP-Cloud method is substantially more accurate and faster than the traditional PIC, and it is free of artificial forces that are typical for some adaptive PIC techniques.

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.

On the biophysics of cathodal galvanotaxis in rat prostate cancer cells: Poisson-Nernst-Planck equation approach.

Science.gov (United States)

Borys, Przemysław

2012-06-01

Rat prostate cancer cells have been previously investigated using two cell lines: a highly metastatic one (Mat-Ly-Lu) and a nonmetastatic one (AT-2). It turns out that the highly metastatic Mat-Ly-Lu cells exhibit a phenomenon of cathodal galvanotaxis in an electric field which can be blocked by interrupting the voltage-gated sodium channel (VGSC) activity. The VGSC activity is postulated to be characteristic for metastatic cells and seems to be a reasonable driving force for motile behavior. However, the classical theory of cellular motion depends on calcium ions rather than sodium ions. The current research provides a theoretical connection between cellular sodium inflow and cathodal galvanotaxis of Mat-Ly-Lu cells. Electrical repulsion of intracellular calcium ions by entering sodium ions is proposed after depolarization starting from the cathodal side. The disturbance in the calcium distribution may then drive actin polymerization and myosin contraction. The presented modeling is done within a continuous one-dimensional Poisson-Nernst-Planck equation framework.

Poisson denoising on the sphere

Science.gov (United States)

Schmitt, J.; Starck, J. L.; Fadili, J.; Grenier, I.; Casandjian, J. M.

2009-08-01

In the scope of the Fermi mission, Poisson noise removal should improve data quality and make source detection easier. This paper presents a method for Poisson data denoising on sphere, called Multi-Scale Variance Stabilizing Transform on Sphere (MS-VSTS). This method is based on a Variance Stabilizing Transform (VST), a transform which aims to stabilize a Poisson data set such that each stabilized sample has an (asymptotically) constant variance. In addition, for the VST used in the method, the transformed data are asymptotically Gaussian. Thus, MS-VSTS consists in decomposing the data into a sparse multi-scale dictionary (wavelets, curvelets, ridgelets...), and then applying a VST on the coefficients in order to get quasi-Gaussian stabilized coefficients. In this present article, the used multi-scale transform is the Isotropic Undecimated Wavelet Transform. Then, hypothesis tests are made to detect significant coefficients, and the denoised image is reconstructed with an iterative method based on Hybrid Steepest Descent (HST). The method is tested on simulated Fermi data.

A multidimensionally consistent version of Hirota’s discrete KdV equation

International Nuclear Information System (INIS)

Atkinson, James

2012-01-01

A multidimensionally consistent generalization of Hirota’s discrete KdV equation is proposed, it is a quad equation defined by a polynomial that is quadratic in each variable. Soliton solutions and interpretation of the model as superposition principle are given. It is discussed how an important property of the defining polynomial, a factorization of discriminants, appears also in the few other known discrete integrable multi-quadratic models. (fast track communication)

Numerical solution of dynamic equilibrium models under Poisson uncertainty

DEFF Research Database (Denmark)

Posch, Olaf; Trimborn, Timo

2013-01-01

We propose a simple and powerful numerical algorithm to compute the transition process in continuous-time dynamic equilibrium models with rare events. In this paper we transform the dynamic system of stochastic differential equations into a system of functional differential equations of the retar...... solution to Lucas' endogenous growth model under Poisson uncertainty are used to compute the exact numerical error. We show how (potential) catastrophic events such as rare natural disasters substantially affect the economic decisions of households....

Landau Damping and Anomalous Skin Effect in Low-pressure Gas Discharges: Self-consistent Treatment of Collisionless Heating

International Nuclear Information System (INIS)

Kaganovich, Igor D.; Polomarov, Oleg V.; Theodosiou, Constantine E.

2004-01-01

In low-pressure discharges, where the electron mean free path is larger or comparable with the discharge length, the electron dynamics is essentially nonlocal. Moreover, the electron energy distribution function (EEDF) deviates considerably from a Maxwellian. Therefore, an accurate kinetic description of the low-pressure discharges requires knowledge of the nonlocal conductivity operator and calculation of the non-Maxwellian EEDF. The previous treatments made use of simplifying assumptions: a uniform density profile and a Maxwellian EEDF. In the present study a self-consistent system of equations for the kinetic description of nonlocal, nonuniform, nearly collisionless plasmas of low-pressure discharges is reported. It consists of the nonlocal conductivity operator and the averaged kinetic equation for calculation of the non-Maxwellian EEDF. This system was applied to the calculation of collisionless heating in capacitively and inductively coupled plasmas. In particular, the importance of accounting for the nonuniform plasma density profile for computing the current density profile and the EEDF is demonstrated. The enhancement of collisionless heating due to the bounce resonance between the electron motion in the potential well and the external radio-frequency electric field is investigated. It is shown that a nonlinear and self-consistent treatment is necessary for the correct description of collisionless heating

Topological Poisson Sigma models on Poisson-Lie groups

International Nuclear Information System (INIS)

Calvo, Ivan; Falceto, Fernando; Garcia-Alvarez, David

2003-01-01

We solve the topological Poisson Sigma model for a Poisson-Lie group G and its dual G*. We show that the gauge symmetry for each model is given by its dual group that acts by dressing transformations on the target. The resolution of both models in the open geometry reveals that there exists a map from the reduced phase of each model (P and P*) to the main symplectic leaf of the Heisenberg double (D 0 ) such that the symplectic forms on P, P* are obtained as the pull-back by those maps of the symplectic structure on D 0 . This uncovers a duality between P and P* under the exchange of bulk degrees of freedom of one model with boundary degrees of freedom of the other one. We finally solve the Poisson Sigma model for the Poisson structure on G given by a pair of r-matrices that generalizes the Poisson-Lie case. The Hamiltonian analysis of the theory requires the introduction of a deformation of the Heisenberg double. (author)

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

International Nuclear Information System (INIS)

Kita, Takafumi

2009-01-01

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

Poisson distribution

NARCIS (Netherlands)

Hallin, M.; Piegorsch, W.; El Shaarawi, A.

2012-01-01

The random variable X taking values 0,1,2,…,x,… with probabilities pλ(x) = e−λλx/x!, where λ∈R0+ is called a Poisson variable, and its distribution a Poisson distribution, with parameter λ. The Poisson distribution with parameter λ can be obtained as the limit, as n → ∞ and p → 0 in such a way that

Lie-transformed action principle for classical plasma dynamics

International Nuclear Information System (INIS)

Kaufman, A.N.

1984-06-01

The Lie transform for a single particle in a wave is embedded in a Lagrangian action principle for self-consistent plasma dynamics. Variation of the action then yields the Vlasov equation for the oscillation-center distribution, the ray equations and amplitude transport for the wave, and the Poisson equation for the quasistatic field

Diffusion equations and hard collisions in multiple scattering of charged particles

International Nuclear Information System (INIS)

Papiez, Lech; Tulovsky, Vladimir

1998-01-01

The processes of angular-spatial evolution of multiple scattering of charged particles are described by the Lewis (special case of Boltzmann) integro-differential equation. The underlying stochastic process for this evolution is the compound Poisson process with transition densities satisfying the Lewis equation. In this paper we derive the Lewis equation from the compound Poisson process and show that the effective method of the solution of this equation can be based on the idea of decomposition of the compound Poisson process into processes of soft and hard collisions. Formulas for transition densities of soft and hard collision processes are provided in this paper together with the formula expressing the general solution of the Lewis equation in terms of those transition densities

Diffusion equations and hard collisions in multiple scattering of charged particles

Energy Technology Data Exchange (ETDEWEB)

Papiez, Lech [Department of Radiation Oncology, Indiana University, Indianapolis, IN (United States); Tulovsky, Vladimir [Department of Mathematics, St. John' s College, Staten Island, New York, NY (United States)

1998-09-01

The processes of angular-spatial evolution of multiple scattering of charged particles are described by the Lewis (special case of Boltzmann) integro-differential equation. The underlying stochastic process for this evolution is the compound Poisson process with transition densities satisfying the Lewis equation. In this paper we derive the Lewis equation from the compound Poisson process and show that the effective method of the solution of this equation can be based on the idea of decomposition of the compound Poisson process into processes of soft and hard collisions. Formulas for transition densities of soft and hard collision processes are provided in this paper together with the formula expressing the general solution of the Lewis equation in terms of those transition densities.

Effective self-similar expansion for the Gross-Pitaevskii equation

Science.gov (United States)

Modugno, Michele; Pagnini, Gianni; Valle-Basagoiti, Manuel Angel

2018-04-01

We consider an effective scaling approach for the free expansion of a one-dimensional quantum wave packet, consisting in a self-similar evolution to be satisfied on average, i.e., by integrating over the coordinates. A direct comparison with the solution of the Gross-Pitaevskii equation shows that the effective scaling reproduces with great accuracy the exact evolution—the actual wave function is reproduced with a fidelity close to one—for arbitrary values of the interactions. This result represents a proof of concept of the effectiveness of the scaling ansatz, which has been used in different forms in the literature but never compared against the exact evolution.

Exact self-similar solutions of the Korteweg de Vries equation

International Nuclear Information System (INIS)

Nakach, R.

1975-12-01

It is shown that the exact analytic self-similar solution of the Korteweg de Vries equation is connected with the second Painleve transcendent. When the self-similar independant variable tends to infinity the asymptotic solutions are given by a nonlinear differential equation which can be integrated to yield Jacobian elliptic functions [fr

Nambu-Poisson reformulation of the finite dimensional dynamical systems

International Nuclear Information System (INIS)

Baleanu, D.; Makhaldiani, N.

1998-01-01

A system of nonlinear ordinary differential equations which in a particular case reduces to Volterra's system is introduced. We found in two simplest cases the complete sets of the integrals of motion using Nambu-Poisson reformulation of the Hamiltonian dynamics. In these cases we have solved the systems by quadratures

Parallel SOR methods with a parabolic-diffusion acceleration technique for solving an unstructured-grid Poisson equation on 3D arbitrary geometries

Science.gov (United States)

Zapata, M. A. Uh; Van Bang, D. Pham; Nguyen, K. D.

2016-05-01

This paper presents a parallel algorithm for the finite-volume discretisation of the Poisson equation on three-dimensional arbitrary geometries. The proposed method is formulated by using a 2D horizontal block domain decomposition and interprocessor data communication techniques with message passing interface. The horizontal unstructured-grid cells are reordered according to the neighbouring relations and decomposed into blocks using a load-balanced distribution to give all processors an equal amount of elements. In this algorithm, two parallel successive over-relaxation methods are presented: a multi-colour ordering technique for unstructured grids based on distributed memory and a block method using reordering index following similar ideas of the partitioning for structured grids. In all cases, the parallel algorithms are implemented with a combination of an acceleration iterative solver. This solver is based on a parabolic-diffusion equation introduced to obtain faster solutions of the linear systems arising from the discretisation. Numerical results are given to evaluate the performances of the methods showing speedups better than linear.

Numerical Treatment of the Boltzmann Equation for Self-Propelled Particle Systems

Directory of Open Access Journals (Sweden)

Florian Thüroff

2014-11-01

Full Text Available Kinetic theories constitute one of the most promising tools to decipher the characteristic spatiotemporal dynamics in systems of actively propelled particles. In this context, the Boltzmann equation plays a pivotal role, since it provides a natural translation between a particle-level description of the system’s dynamics and the corresponding hydrodynamic fields. Yet, the intricate mathematical structure of the Boltzmann equation substantially limits the progress toward a full understanding of this equation by solely analytical means. Here, we propose a general framework to numerically solve the Boltzmann equation for self-propelled particle systems in two spatial dimensions and with arbitrary boundary conditions. We discuss potential applications of this numerical framework to active matter systems and use the algorithm to give a detailed analysis to a model system of self-propelled particles with polar interactions. In accordance with previous studies, we find that spatially homogeneous isotropic and broken-symmetry states populate two distinct regions in parameter space, which are separated by a narrow region of spatially inhomogeneous, density-segregated moving patterns. We find clear evidence that these three regions in parameter space are connected by first-order phase transitions and that the transition between the spatially homogeneous isotropic and polar ordered phases bears striking similarities to liquid-gas phase transitions in equilibrium systems. Within the density-segregated parameter regime, we find a novel stable limit-cycle solution of the Boltzmann equation, which consists of parallel lanes of polar clusters moving in opposite directions, so as to render the overall symmetry of the system’s ordered state nematic, despite purely polar interactions on the level of single particles.

A Study on the Consistency of Discretization Equation in Unsteady Heat Transfer Calculations

Directory of Open Access Journals (Sweden)

Wenhua Zhang

2013-01-01

Full Text Available The previous studies on the consistency of discretization equation mainly focused on the finite difference method, but the issue of consistency still remains with several problems far from totally solved in the actual numerical computation. For instance, the consistency problem is involved in the numerical case where the boundary variables are solved explicitly while the variables away from the boundary are solved implicitly. And when the coefficient of discretization equation of nonlinear numerical case is the function of variables, calculating the coefficient explicitly and the variables implicitly might also give rise to consistency problem. Thus the present paper mainly researches the consistency problems involved in the explicit treatment of the second and third boundary conditions and that of thermal conductivity which is the function of temperature. The numerical results indicate that the consistency problem should be paid more attention and not be neglected in the practical computation.

Analysis of Quantum Effects in Non-Uniformly Doped MOS Structures

National Research Council Canada - National Science Library

Fiegna, Claudio

1997-01-01

This paper presents results from the self-consistent solution of Schrodinger and Poisson equations obtained in one-dimensional non-uniformly doped MOS structures suitable for the fabrication of very short transistors...

A Simulation Model for Drift Resistive Ballooning Turbulence Examining the Influence of Self-consistent Zonal Flows

Science.gov (United States)

Cohen, Bruce; Umansky, Maxim; Joseph, Ilon

2015-11-01

Progress is reported on including self-consistent zonal flows in simulations of drift-resistive ballooning turbulence using the BOUT + + framework. Previous published work addressed the simulation of L-mode edge turbulence in realistic single-null tokamak geometry using the BOUT three-dimensional fluid code that solves Braginskii-based fluid equations. The effects of imposed sheared ExB poloidal rotation were included, with a static radial electric field fitted to experimental data. In new work our goal is to include the self-consistent effects on the radial electric field driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We describe a model for including self-consistent zonal flows and an algorithm for maintaining underlying plasma profiles to enable the simulation of steady-state turbulence. We examine the role of Braginskii viscous forces in providing necessary dissipation when including axisymmetric perturbations. We also report on some of the numerical difficulties associated with including the axisymmetric component of the fluctuating fields. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory (LLNL-ABS-674950).

Error Propagation Dynamics of PIV-based Pressure Field Calculations: How well does the pressure Poisson solver perform inherently?

Science.gov (United States)

Pan, Zhao; Whitehead, Jared; Thomson, Scott; Truscott, Tadd

2016-08-01

Obtaining pressure field data from particle image velocimetry (PIV) is an attractive technique in fluid dynamics due to its noninvasive nature. The application of this technique generally involves integrating the pressure gradient or solving the pressure Poisson equation using a velocity field measured with PIV. However, very little research has been done to investigate the dynamics of error propagation from PIV-based velocity measurements to the pressure field calculation. Rather than measure the error through experiment, we investigate the dynamics of the error propagation by examining the Poisson equation directly. We analytically quantify the error bound in the pressure field, and are able to illustrate the mathematical roots of why and how the Poisson equation based pressure calculation propagates error from the PIV data. The results show that the error depends on the shape and type of boundary conditions, the dimensions of the flow domain, and the flow type.

Error propagation dynamics of PIV-based pressure field calculations: How well does the pressure Poisson solver perform inherently?

International Nuclear Information System (INIS)

Pan, Zhao; Thomson, Scott; Whitehead, Jared; Truscott, Tadd

2016-01-01

Obtaining pressure field data from particle image velocimetry (PIV) is an attractive technique in fluid dynamics due to its noninvasive nature. The application of this technique generally involves integrating the pressure gradient or solving the pressure Poisson equation using a velocity field measured with PIV. However, very little research has been done to investigate the dynamics of error propagation from PIV-based velocity measurements to the pressure field calculation. Rather than measure the error through experiment, we investigate the dynamics of the error propagation by examining the Poisson equation directly. We analytically quantify the error bound in the pressure field, and are able to illustrate the mathematical roots of why and how the Poisson equation based pressure calculation propagates error from the PIV data. The results show that the error depends on the shape and type of boundary conditions, the dimensions of the flow domain, and the flow type. (paper)

Error Propagation Dynamics of PIV-based Pressure Field Calculations: How well does the pressure Poisson solver perform inherently?

Science.gov (United States)

Pan, Zhao; Whitehead, Jared; Thomson, Scott; Truscott, Tadd

2016-01-01

Obtaining pressure field data from particle image velocimetry (PIV) is an attractive technique in fluid dynamics due to its noninvasive nature. The application of this technique generally involves integrating the pressure gradient or solving the pressure Poisson equation using a velocity field measured with PIV. However, very little research has been done to investigate the dynamics of error propagation from PIV-based velocity measurements to the pressure field calculation. Rather than measure the error through experiment, we investigate the dynamics of the error propagation by examining the Poisson equation directly. We analytically quantify the error bound in the pressure field, and are able to illustrate the mathematical roots of why and how the Poisson equation based pressure calculation propagates error from the PIV data. The results show that the error depends on the shape and type of boundary conditions, the dimensions of the flow domain, and the flow type. PMID:27499587

Filling of a Poisson trap by a population of random intermittent searchers

KAUST Repository

Bressloff, Paul C.

2012-03-01

We extend the continuum theory of random intermittent search processes to the case of N independent searchers looking to deliver cargo to a single hidden target located somewhere on a semi-infinite track. Each searcher randomly switches between a stationary state and either a leftward or rightward constant velocity state. We assume that all of the particles start at one end of the track and realize sample trajectories independently generated from the same underlying stochastic process. The hidden target is treated as a partially absorbing trap in which a particle can only detect the target and deliver its cargo if it is stationary and within range of the target; the particle is removed from the system after delivering its cargo. As a further generalization of previous models, we assume that up to n successive particles can find the target and deliver its cargo. Assuming that the rate of target detection scales as 1/N, we show that there exists a well-defined mean-field limit N→ in which the stochastic model reduces to a deterministic system of linear reaction-hyperbolic equations for the concentrations of particles in each of the internal states. These equations decouple from the stochastic process associated with filling the target with cargo. The latter can be modeled as a Poisson process in which the time-dependent rate of filling λ(t) depends on the concentration of stationary particles within the target domain. Hence, we refer to the target as a Poisson trap. We analyze the efficiency of filling the Poisson trap with n particles in terms of the waiting time density f n(t). The latter is determined by the integrated Poisson rate μ(t)=0tλ(s)ds, which in turn depends on the solution to the reaction-hyperbolic equations. We obtain an approximate solution for the particle concentrations by reducing the system of reaction-hyperbolic equations to a scalar advection-diffusion equation using a quasisteady-state analysis. We compare our analytical results for the

Large-Time Behavior of Solutions to Vlasov-Poisson-Fokker-Planck Equations: From Evanescent Collisions to Diffusive Limit

Science.gov (United States)

Herda, Maxime; Rodrigues, L. Miguel

2018-03-01

The present contribution investigates the dynamics generated by the two-dimensional Vlasov-Poisson-Fokker-Planck equation for charged particles in a steady inhomogeneous background of opposite charges. We provide global in time estimates that are uniform with respect to initial data taken in a bounded set of a weighted L^2 space, and where dependencies on the mean-free path τ and the Debye length δ are made explicit. In our analysis the mean free path covers the full range of possible values: from the regime of evanescent collisions τ → ∞ to the strongly collisional regime τ → 0. As a counterpart, the largeness of the Debye length, that enforces a weakly nonlinear regime, is used to close our nonlinear estimates. Accordingly we pay a special attention to relax as much as possible the τ -dependent constraint on δ ensuring exponential decay with explicit τ -dependent rates towards the stationary solution. In the strongly collisional limit τ → 0, we also examine all possible asymptotic regimes selected by a choice of observation time scale. Here also, our emphasis is on strong convergence, uniformity with respect to time and to initial data in bounded sets of a L^2 space. Our proofs rely on a detailed study of the nonlinear elliptic equation defining stationary solutions and a careful tracking and optimization of parameter dependencies of hypocoercive/hypoelliptic estimates.

Modeling of Electrokinetic Processes Using the Nernst-Plank-Poisson System

DEFF Research Database (Denmark)

Paz-Garcia, Juan Manuel; Johannesson, Björn; Ottosen, Lisbeth M.

2010-01-01

Electrokinetic processes are known as the mobilization of species within the pore solution of porous materials under the effect of an external electric field. A finite elements model was implemented and used for the integration of the coupled Nernst-Plank-Poisson system of equations in order...

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)

Behavior of Poisson Bracket Mapping Equation in Studying Excitation Energy Transfer Dynamics of Cryptophyte Phycocyanin 645 Complex

International Nuclear Information System (INIS)

Lee, Weon Gyu; Kelly, Aaron; Rhee, Young Min

2012-01-01

Recently, it has been shown that quantum coherence appears in energy transfers of various photosynthetic light harvesting complexes at from cryogenic to even room temperatures. Because the photosynthetic systems are inherently complex, these findings have subsequently interested many researchers in the field of both experiment and theory. From the theoretical part, simplified dynamics or semiclassical approaches have been widely used. In these approaches, the quantum-classical Liouville equation (QCLE) is the fundamental starting point. Toward the semiclassical scheme, approximations are needed to simplify the equations of motion of various degrees of freedom. Here, we have adopted the Poisson bracket mapping equation (PBME) as an approximate form of QCLE and applied it to find the time evolution of the excitation in a photosynthetic complex from marine algae. The benefit of using PBME is its similarity to conventional Hamiltonian dynamics. Through this, we confirmed the coherent population transfer behaviors in short time domain as previously reported with a more accurate but more time-consuming iterative linearized density matrix approach. However, we find that the site populations do not behave according to the Boltzmann law in the long time limit. We also test the effect of adding spurious high frequency vibrations to the spectral density of the bath, and find that their existence does not alter the dynamics to any significant extent as long as the associated reorganization energy is changed not too drastically. This suggests that adopting classical trajectory based ensembles in semiclassical simulations should not influence the coherence dynamics in any practical manner, even though the classical trajectories often yield spurious high frequency vibrational features in the spectral density

A self consistent study of the phase transition in the scalar electroweak theory at finite temperature

International Nuclear Information System (INIS)

Kerres, U.; Mack, G.; Palma, G.

1994-12-01

We propose the study of the phase transition in the scalar electroweak theory at finite temperature by a two-step method. It combines i) dimensional reduction to a 3-dimensional lattice theory via perturbative blockspin transformation, and ii) either further real space renormalization group transformations, or solution of gap equations, for the 3d lattice theory. A gap equation can be obtained by using the Peierls inequality to find the best quadratic approximation to the 3d action. This method avoids the lack of self consistency of the usual treatments which do not separate infrared and UV-problems by introduction of a lattice cutoff. The effective 3d lattice action could also be used in computer simulations. (orig.)

A self consistent study of the phase transition in the scalar electroweak theory at finite temperature

International Nuclear Information System (INIS)

Kerres, U.

1995-01-01

We propose the study of the phase transition in the scalar electroweak theory at finite temperature by a two-step method. It combines i) dimensional reduction to a 3-dimensional lattice theory via perturbative blockspin transformation, and ii) either further real space renormalization group transformations, or solution of gap equations, for the 3d lattice theory. A gap equation can be obtained by using the Peierls inequality to find the best quadratic approximation to the 3d action. This method avoids the lack of self consistency of the usual treatments which do not separate infrared and UV-problems by introduction of a lattice cutoff. The effective 3d lattice action could also be used in computer simulations. ((orig.))

Lagrangian analysis of invariant third-order equations of motion in relativistic classical particle mechanics

International Nuclear Information System (INIS)

Matsyuk, R.Ya.

1985-01-01

The problem on the existence of the invariant third-order Euler-Poisson equations in the pseudo-Euclidean space is investigated. The locally variational problem is determined by the Lagrangian density over the space of the second-order jets. The one - parameter family of the invariant third-order Euler-Poisson equations is groved to be the only one in the three-dimensional pseudo-Euclidean space. No invariant third-order Euler-Poisson equations exist in the four-dimensional pseudo-Euclidean space. It is shown that the Mathisson equation and the equation of geodesic circles in particular cases may be considered in the context of the Ostrogradiskij mechanics and the Kavaguchi geometry

2D Poisson sigma models with gauged vectorial supersymmetry

Energy Technology Data Exchange (ETDEWEB)

Bonezzi, Roberto [Dipartimento di Fisica ed Astronomia, Università di Bologna and INFN, Sezione di Bologna,via Irnerio 46, I-40126 Bologna (Italy); Departamento de Ciencias Físicas, Universidad Andres Bello,Republica 220, Santiago (Chile); Sundell, Per [Departamento de Ciencias Físicas, Universidad Andres Bello,Republica 220, Santiago (Chile); Torres-Gomez, Alexander [Departamento de Ciencias Físicas, Universidad Andres Bello,Republica 220, Santiago (Chile); Instituto de Ciencias Físicas y Matemáticas, Universidad Austral de Chile-UACh,Valdivia (Chile)

2015-08-12

In this note, we gauge the rigid vectorial supersymmetry of the two-dimensional Poisson sigma model presented in arXiv:1503.05625. We show that the consistency of the construction does not impose any further constraints on the differential Poisson algebra geometry than those required for the ungauged model. We conclude by proposing that the gauged model provides a first-quantized framework for higher spin gravity.

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)

Characterization and global analysis of a family of Poisson structures

International Nuclear Information System (INIS)

Hernandez-Bermejo, Benito

2006-01-01

A three-dimensional family of solutions of the Jacobi equations for Poisson systems is characterized. In spite of its general form it is possible the explicit and global determination of its main features, such as the symplectic structure and the construction of the Darboux canonical form. Examples are given

Characterization and global analysis of a family of Poisson structures

Energy Technology Data Exchange (ETDEWEB)

Hernandez-Bermejo, Benito [Escuela Superior de Ciencias Experimentales y Tecnologia, Edificio Departamental II, Universidad Rey Juan Carlos, Calle Tulipan S/N, 28933 (Mostoles), Madrid (Spain)]. E-mail: benito.hernandez@urjc.es

2006-06-26

A three-dimensional family of solutions of the Jacobi equations for Poisson systems is characterized. In spite of its general form it is possible the explicit and global determination of its main features, such as the symplectic structure and the construction of the Darboux canonical form. Examples are given.

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

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.

The self-consistent effective medium approximation (SEMA): New tricks from an old dog

International Nuclear Information System (INIS)

Bergman, David J.

2007-01-01

The fact that the self-consistent effective medium approximation (SEMA) leads to incorrect values for the percolation threshold, as well as for the critical exponents which characterize that threshold, has led to a decline in using that approximation. In this article I argue that SEMA has the unique capability, which is lacking in other approximation schemes for macroscopic response of composite media, of leading to the discovery or prediction of new critical points. This is due to the fact that SEMA can often lead to explicit equations for the macroscopic response of a composite medium, even when that medium has a rather complicated character. In such cases, the SEMA equations are usually coupled and nonlinear, often even transcendental in character. Thus there is no question of finding exact solutions. Nevertheless, a useful ansatz, leading to a closed form asymptotic solution, can often be made. In this way, singularities in the macroscopic response can be identified from a theoretical or mathematical treatment of the physical problem. This is demonstrated for two problems of magneto-transport in a composite medium, where the SEMA equations are solved using asymptotic analysis, leading to new types of critical points and critical behavior

Self-consistent imbedding and the ellipsoidal model model for porous rocks

International Nuclear Information System (INIS)

Korringa, J.; Brown, R.J.S.; Thompson, D.D.; Runge, R.J.

1979-01-01

Equations are obtained for the effective elastic moduli for a model of an isotropic, heterogeneous, porous medium. The mathematical model used for computation is abstract in that it is not simply a rigorous computation for a composite medium of some idealized geometry, although the computation contains individual steps which are just that. Both the solid part and pore space are represented by ellipsoidal or spherical 'grains' or 'pores' of various sizes and shapes. The strain of each grain, caused by external forces applied to the medium, is calculated in a self-consistent imbedding (SCI) approximation, which replaces the true surrounding of any given grain or pore by an isotropic medium defined by the effective moduli to be computed. The ellipsoidal nature of the shapes allows us to use Eshelby's theoretical treatment of a single ellipsoidal inclusion in an infiinte homogeneous medium. Results are compared with the literature, and discrepancies are found with all published accounts of this problem. Deviations from the work of Wu, of Walsh, and of O'Connell and Budiansky are attributed to a substitution made by these authors which though an identity for the exact quantities involved, is only approximate in the SCI calculation. This reduces the validity of the equations to first-order effects only. Differences with the results of Kuster and Toksoez are attributed to the fact that the computation of these authors is not self-consistent in the sense used here. A result seems to be the stiffening of the medium as if the pores are held apart. For spherical grains and pores, their calculated moduli are those given by the Hashin-Shtrikman upper bounds. Our calculation reproduces, in the case of spheres, an early result of Budiansky. An additional feature of our work is that the algebra is simpler than in earlier work. We also incorporate into the theory the possibility that fluid-filled pores are interconnected

Equation of State for Phospholipid Self-Assembly

DEFF Research Database (Denmark)

Marsh, Derek

2016-01-01

Phospholipid self-assembly is the basis of biomembrane stability. The entropy of transfer from water to self-assembled micelles of lysophosphatidylcholines and diacyl phosphatidylcholines with different chain lengths converges to a common value at a temperature of 44°C. The corresponding enthalpies...... of transfer converge at ∼-18°C. An equation of state for the free energy of self-assembly formulated from this thermodynamic data depends on the heat capacity of transfer as the sole parameter needed to specify a particular lipid. For lipids lacking calorimetric data, measurement of the critical micelle...

Bethe-Salpeter equation for non-self conjugate mesons in a power-law potential

International Nuclear Information System (INIS)

Ikhdair, S.M.

1992-07-01

We develop an approach to the solution of the spinless Bethe-Salpeter equation for the different-mass case. Although the calculations are developed for spin-zero particles in any arbitrary spherically symmetric potential, the non-Coulombic effective power-law potential is used as a kernel to produce the spin-averaged bound states of the non-self-conjugate mesons. The analytical formulae are also applicable to the self-conjugate mesons in the equal-mass case. The flavor-independent case is investigated in this work. The calculations are carried out to the third-order correction of the energy series. Results are consistent with those obtained before. (author). 14 refs, 1 tab

Consistency of the Hamiltonian formulation of the lowest-order effective action of the complete Horava theory

International Nuclear Information System (INIS)

Bellorin, Jorge; Restuccia, Alvaro

2011-01-01

We perform the Hamiltonian analysis for the lowest-order effective action, up to second order in derivatives, of the complete Horava theory. The model includes the invariant terms that depend on ∂ i lnN proposed by Blas, Pujolas, and Sibiryakov. We show that the algebra of constraints closes. The Hamiltonian constraint is of second-class behavior and it can be regarded as an elliptic partial differential equation for N. The linearized version of this equation is a Poisson equation for N that can be solved consistently. The preservation in time of the Hamiltonian constraint yields an equation that can be consistently solved for a Lagrange multiplier of the theory. The model has six propagating degrees of freedom in the phase space, corresponding to three even physical modes. When compared with the λR model studied by us in a previous paper, it lacks two second-class constraints, which leads to the extra even mode.

General heavenly equation governs anti-self-dual gravity

Energy Technology Data Exchange (ETDEWEB)

Malykh, A A [Department of Numerical Modelling, Russian State Hydrometeorlogical University, Malookhtinsky pr 98, 195196 St Petersburg (Russian Federation); Sheftel, M B, E-mail: andrei-malykh@mail.ru, E-mail: mikhail.sheftel@boun.edu.tr [Department of Physics, Bogazici University, 34342 Bebek, Istanbul (Turkey)

2011-04-15

We show that the general heavenly equation, suggested recently by Doubrov and Ferapontov (2010 arXiv:0910.3407v2 [math.DG]), governs anti-self-dual (ASD) gravity. We derive ASD Ricci-flat vacuum metric governed by the general heavenly equation, null tetrad and basis of 1-forms for this metric. We present algebraic exact solutions of the general heavenly equation as a set of zeros of homogeneous polynomials in independent and dependent variables. A real solution is obtained for the case of a neutral signature.

Poisson processes

NARCIS (Netherlands)

Boxma, O.J.; Yechiali, U.; Ruggeri, F.; Kenett, R.S.; Faltin, F.W.

2007-01-01

The Poisson process is a stochastic counting process that arises naturally in a large variety of daily life situations. We present a few definitions of the Poisson process and discuss several properties as well as relations to some well-known probability distributions. We further briefly discuss the

Poisson Processes in Free Probability

OpenAIRE

An, Guimei; Gao, Mingchu

2015-01-01

We prove a multidimensional Poisson limit theorem in free probability, and define joint free Poisson distributions in a non-commutative probability space. We define (compound) free Poisson process explicitly, similar to the definitions of (compound) Poisson processes in classical probability. We proved that the sum of finitely many freely independent compound free Poisson processes is a compound free Poisson processes. We give a step by step procedure for constructing a (compound) free Poisso...

Dynamical TAP equations for non-equilibrium Ising spin glasses

DEFF Research Database (Denmark)

Roudi, Yasser; Hertz, John

2011-01-01

We derive and study dynamical TAP equations for Ising spin glasses obeying both synchronous and asynchronous dynamics using a generating functional approach. The system can have an asymmetric coupling matrix, and the external fields can be time-dependent. In the synchronously updated model, the TAP...... equations take the form of self consistent equations for magnetizations at time t+1, given the magnetizations at time t. In the asynchronously updated model, the TAP equations determine the time derivatives of the magnetizations at each time, again via self consistent equations, given the current values...... of the magnetizations. Numerical simulations suggest that the TAP equations become exact for large systems....

Towards a unification of the hierarchical reference theory and the self-consistent Ornstein-Zernike approximation.

Science.gov (United States)

Reiner, A; Høye, J S

2005-12-01

The hierarchical reference theory and the self-consistent Ornstein-Zernike approximation are two liquid state theories that both furnish a largely satisfactory description of the critical region as well as phase coexistence and the equation of state in general. Furthermore, there are a number of similarities that suggest the possibility of a unification of both theories. As a first step towards this goal, we consider the problem of combining the lowest order gamma expansion result for the incorporation of a Fourier component of the interaction with the requirement of consistency between internal and free energies, leaving aside the compressibility relation. For simplicity, we restrict ourselves to a simplified lattice gas that is expected to display the same qualitative behavior as more elaborate models. It turns out that the analytically tractable mean spherical approximation is a solution to this problem, as are several of its generalizations. Analysis of the characteristic equations shows the potential for a practical scheme and yields necessary conditions that any closure to the Ornstein-Zernike relation must fulfill for the consistency problem to be well posed and to have a unique differentiable solution. These criteria are expected to remain valid for more general discrete and continuous systems, even if consistency with the compressibility route is also enforced where possible explicit solutions will require numerical evaluations.

Nambu–Poisson gauge theory

Energy Technology Data Exchange (ETDEWEB)

Jurčo, Branislav, E-mail: jurco@karlin.mff.cuni.cz [Charles University in Prague, Faculty of Mathematics and Physics, Mathematical Institute, Prague 186 75 (Czech Republic); Schupp, Peter, E-mail: p.schupp@jacobs-university.de [Jacobs University Bremen, 28759 Bremen (Germany); Vysoký, Jan, E-mail: vysokjan@fjfi.cvut.cz [Jacobs University Bremen, 28759 Bremen (Germany); Czech Technical University in Prague, Faculty of Nuclear Sciences and Physical Engineering, Prague 115 19 (Czech Republic)

2014-06-02

We generalize noncommutative gauge theory using Nambu–Poisson structures to obtain a new type of gauge theory with higher brackets and gauge fields. The approach is based on covariant coordinates and higher versions of the Seiberg–Witten map. We construct a covariant Nambu–Poisson gauge theory action, give its first order expansion in the Nambu–Poisson tensor and relate it to a Nambu–Poisson matrix model.

Nambu–Poisson gauge theory

International Nuclear Information System (INIS)

Jurčo, Branislav; Schupp, Peter; Vysoký, Jan

2014-01-01

We generalize noncommutative gauge theory using Nambu–Poisson structures to obtain a new type of gauge theory with higher brackets and gauge fields. The approach is based on covariant coordinates and higher versions of the Seiberg–Witten map. We construct a covariant Nambu–Poisson gauge theory action, give its first order expansion in the Nambu–Poisson tensor and relate it to a Nambu–Poisson matrix model.

Computations of Wall Distances Based on Differential Equations

Science.gov (United States)

Tucker, Paul G.; Rumsey, Chris L.; Spalart, Philippe R.; Bartels, Robert E.; Biedron, Robert T.

2004-01-01

The use of differential equations such as Eikonal, Hamilton-Jacobi and Poisson for the economical calculation of the nearest wall distance d, which is needed by some turbulence models, is explored. Modifications that could palliate some turbulence-modeling anomalies are also discussed. Economy is of especial value for deforming/adaptive grid problems. For these, ideally, d is repeatedly computed. It is shown that the Eikonal and Hamilton-Jacobi equations can be easy to implement when written in implicit (or iterated) advection and advection-diffusion equation analogous forms, respectively. These, like the Poisson Laplacian term, are commonly occurring in CFD solvers, allowing the re-use of efficient algorithms and code components. The use of the NASA CFL3D CFD program to solve the implicit Eikonal and Hamilton-Jacobi equations is explored. The re-formulated d equations are easy to implement, and are found to have robust convergence. For accurate Eikonal solutions, upwind metric differences are required. The Poisson approach is also found effective, and easiest to implement. Modified distances are not found to affect global outputs such as lift and drag significantly, at least in common situations such as airfoil flows.

Connection between Einstein equations, nonlinear sigma models, and self-dual Yang-Mills theory

International Nuclear Information System (INIS)

Sanchez, N.; Whiting, B.

1986-01-01

The authors analyze the connection between nonlinear sigma models self-dual Yang-Mills theory, and general relativity (self-dual and non-self-dual, with and without killing vectors), both at the level of the equations and at the level of the different type of solutions (solitons and calorons) of these theories. They give a manifestly gauge invariant formulation of the self-dual gravitational field analogous to that given by Yang for the self-dual Yang-Mills field. This formulation connects in a direct and explicit way the self-dual Yang-Mills and the general relativity equations. They give the ''R gauge'' parametrization of the self-dual gravitational field (which corresponds to modified Yang's-type and Ernst equations) and analyze the correspondence between their different types of solutions. No assumption about the existence of symmetries in the space-time is needed. For the general case (non-self-dual), they show that the Einstein equations contain an O nonlinear sigma model. This connection with the sigma model holds irrespective of the presence of symmetries in the space-time. They found a new class of solutions of Einstein equations depending on holomorphic and antiholomorphic functions and we relate some subclasses of these solutions to solutions of simpler nonlinear field equations that are well known in other branches of physics, like sigma models, SineGordon, and Liouville equations. They include gravitational plane wave solutions. They analyze the response of different accelerated quantum detector models, compare them to the case when the detectors are linterial in an ordinary Planckian gas at a given temperature, and discuss the anisotropy of the detected response for Rindler observers

Perbandingan Regresi Binomial Negatif dan Regresi Conway-Maxwell-Poisson dalam Mengatasi Overdispersi pada Regresi Poisson

Directory of Open Access Journals (Sweden)

Lusi Eka Afri

2017-03-01

Full Text Available Regresi Binomial Negatif dan regresi Conway-Maxwell-Poisson merupakan solusi untuk mengatasi overdispersi pada regresi Poisson. Kedua model tersebut merupakan perluasan dari model regresi Poisson. Menurut Hinde dan Demetrio (2007, terdapat beberapa kemungkinan terjadi overdispersi pada regresi Poisson yaitu keragaman hasil pengamatan keragaman individu sebagai komponen yang tidak dijelaskan oleh model, korelasi antar respon individu, terjadinya pengelompokan dalam populasi dan peubah teramati yang dihilangkan. Akibatnya dapat menyebabkan pendugaan galat baku yang terlalu rendah dan akan menghasilkan pendugaan parameter yang bias ke bawah (underestimate. Penelitian ini bertujuan untuk membandingan model Regresi Binomial Negatif dan model regresi Conway-Maxwell-Poisson (COM-Poisson dalam mengatasi overdispersi pada data distribusi Poisson berdasarkan statistik uji devians. Data yang digunakan dalam penelitian ini terdiri dari dua sumber data yaitu data simulasi dan data kasus terapan. Data simulasi yang digunakan diperoleh dengan membangkitkan data berdistribusi Poisson yang mengandung overdispersi dengan menggunakan bahasa pemrograman R berdasarkan karakteristik data berupa , peluang munculnya nilai nol (p serta ukuran sampel (n. Data dibangkitkan berguna untuk mendapatkan estimasi koefisien parameter pada regresi binomial negatif dan COM-Poisson.   Kata Kunci: overdispersi, regresi binomial negatif, regresi Conway-Maxwell-Poisson Negative binomial regression and Conway-Maxwell-Poisson regression could be used to overcome over dispersion on Poisson regression. Both models are the extension of Poisson regression model. According to Hinde and Demetrio (2007, there will be some over dispersion on Poisson regression: observed variance in individual variance cannot be described by a model, correlation among individual response, and the population group and the observed variables are eliminated. Consequently, this can lead to low standard error

Macroscopic Modeling of a One-Dimensional Electrochemical Cell using the Poisson-Nernst-Planck Equations

Science.gov (United States)

Yan, David

This thesis presents the one-dimensional equations, numerical method and simulations of a model to characterize the dynamical operation of an electrochemical cell. This model extends the current state-of-the art in that it accounts, in a primitive way, for the physics of the electrolyte/electrode interface and incorporates diffuse-charge dynamics, temperature coupling, surface coverage, and polarization phenomena. The one-dimensional equations account for a system with one or two mobile ions of opposite charge, and the electrode reaction we consider (when one is needed) is a one-electron electrodeposition reaction. Though the modeled system is far from representing a realistic electrochemical device, our results show a range of dynamics and behaviors which have not been observed previously, and explore the numerical challenges required when adding more complexity to a model. Furthermore, the basic transport equations (which are developed in three spatial dimensions) can in future accomodate the inclusion of additional physics, and coupling to more complex boundary conditions that incorporate two-dimensional surface phenomena and multi-rate reactions. In the model, the Poisson-Nernst-Planck equations are used to model diffusion and electromigration in an electrolyte, and the generalized Frumkin-Butler-Volmer equation is used to model reaction kinetics at electrodes. An energy balance equation is derived and coupled to the diffusion-migration equation. The model also includes dielectric polarization effects by introducing different values of the dielectric permittivity in different regions of the bulk, as well as accounting for surface coverage effects due to adsorption, and finite size "crowding", or steric effects. Advection effects are not modeled but could in future be incorporated. In order to solve the coupled PDE's, we use a variable step size second order scheme in time and finite differencing in space. Numerical tests are performed on a simplified system and

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

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.

Efficient self-consistency for magnetic tight binding

Science.gov (United States)

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

2011-06-01

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

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.

Iterative solution of the semiconductor device equations

Energy Technology Data Exchange (ETDEWEB)

Bova, S.W.; Carey, G.F. [Univ. of Texas, Austin, TX (United States)

1996-12-31

Most semiconductor device models can be described by a nonlinear Poisson equation for the electrostatic potential coupled to a system of convection-reaction-diffusion equations for the transport of charge and energy. These equations are typically solved in a decoupled fashion and e.g. Newton`s method is used to obtain the resulting sequences of linear systems. The Poisson problem leads to a symmetric, positive definite system which we solve iteratively using conjugate gradient. The transport equations lead to nonsymmetric, indefinite systems, thereby complicating the selection of an appropriate iterative method. Moreover, their solutions exhibit steep layers and are subject to numerical oscillations and instabilities if standard Galerkin-type discretization strategies are used. In the present study, we use an upwind finite element technique for the transport equations. We also evaluate the performance of different iterative methods for the transport equations and investigate various preconditioners for a few generalized gradient methods. Numerical examples are given for a representative two-dimensional depletion MOSFET.

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.

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.

Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework

Science.gov (United States)

Cunningham, Brian; Grüning, Myrta; Azarhoosh, Pooya; Pashov, Dimitar; van Schilfgaarde, Mark

2018-03-01

We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B 76, 165106 (2007), 10.1103/PhysRevB.76.165106] for the electronic structure with the solution of the ladder approximation to the Bethe-Salpeter equation for the macroscopic dielectric function. The solution of the Bethe-Salpeter equation has been implemented within an all-electron framework, using a linear muffin-tin orbital basis set, with the contribution from the nonlocal self-energy to the transition dipole moments (in the optical limit) evaluated explicitly. This approach addresses those systems whose electronic structure is poorly described within the standard perturbative GW approaches with density-functional theory calculations as a starting point. The merits of this approach have been exemplified by calculating optical absorption spectra of a strongly correlated transition metal oxide, NiO, and a narrow gap semiconductor, Ge. In both cases, the calculated spectrum is in good agreement with the experiment. It is also shown that for systems whose electronic structure is well-described within the standard perturbative GW , such as Si, LiF, and h -BN , the performance of the present approach is in general comparable to the standard GW plus Bethe-Salpeter equation. It is argued that both vertex corrections to the electronic screening and the electron-phonon interaction are responsible for the observed systematic overestimation of the fundamental band gap and spectrum onset.

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.)

Kac limit and thermodynamic characterization of stochastic dynamics driven by Poisson-Kac fluctuations

Science.gov (United States)

Giona, Massimiliano; Brasiello, Antonio; Crescitelli, Silvestro

2017-07-01

We analyze the thermodynamic properties of stochastic differential equations driven by smooth Poisson-Kac fluctuations, and their convergence, in the Kac limit, towards Wiener-driven Langevin equations. Using a Markovian embedding of the stochastic work variable, it is proved that the Kac-limit convergence implies a Stratonovich formulation of the limit Langevin equations, in accordance with the Wong-Zakai theorem. Exact moment analysis applied to the case of a purely frictional system shows the occurrence of different regimes and crossover phenomena in the parameter space.

Self-dual Yang-Mills equation and deformation of surfaces

International Nuclear Information System (INIS)

Serikbaev, N.S.; Myrzakul, K.; Sajymbetova, S.K.; Koshkinbaev, A.D.; Myrzakulov, R.

2003-01-01

We show that many integrable systems and integrable spin systems in 2+1 dimensions can be obtained from the (2+1)- dimensional Gauss-Mainardi-Codazzi and Gauss-Weingarten equations, respectively. We also show that the (2+1)-dimensional Gauss-Mainardi-Codazzi equation which describes the deformation (motion) of surfaces is the exact reduction of the Yang-Mills-Higgs-Bogomolny and self-dual Yang-Mills equations. On the basis of this observation, we suggest that the (2+1)-dimensional Gauss-Mainardi-Codazzi equation is a candidate to be integrable, and the associated linear problem (Lax representation) with the spectral parameter is presented. (author)

Dilaton gravity, Poisson sigma models and loop quantum gravity

International Nuclear Information System (INIS)

Bojowald, Martin; Reyes, Juan D

2009-01-01

Spherically symmetric gravity in Ashtekar variables coupled to Yang-Mills theory in two dimensions and its relation to dilaton gravity and Poisson sigma models are discussed. After introducing its loop quantization, quantum corrections for inverse triad components are shown to provide a consistent deformation without anomalies. The relation to Poisson sigma models provides a covariant action principle of the quantum-corrected theory with effective couplings. Results are also used to provide loop quantizations of spherically symmetric models in arbitrary D spacetime dimensions.

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....

Universal Poisson Statistics of mRNAs with Complex Decay Pathways.

Science.gov (United States)

Thattai, Mukund

2016-01-19

Messenger RNA (mRNA) dynamics in single cells are often modeled as a memoryless birth-death process with a constant probability per unit time that an mRNA molecule is synthesized or degraded. This predicts a Poisson steady-state distribution of mRNA number, in close agreement with experiments. This is surprising, since mRNA decay is known to be a complex process. The paradox is resolved by realizing that the Poisson steady state generalizes to arbitrary mRNA lifetime distributions. A mapping between mRNA dynamics and queueing theory highlights an identifiability problem: a measured Poisson steady state is consistent with a large variety of microscopic models. Here, I provide a rigorous and intuitive explanation for the universality of the Poisson steady state. I show that the mRNA birth-death process and its complex decay variants all take the form of the familiar Poisson law of rare events, under a nonlinear rescaling of time. As a corollary, not only steady-states but also transients are Poisson distributed. Deviations from the Poisson form occur only under two conditions, promoter fluctuations leading to transcriptional bursts or nonindependent degradation of mRNA molecules. These results place severe limits on the power of single-cell experiments to probe microscopic mechanisms, and they highlight the need for single-molecule measurements. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Self-consistent description of isobaric 0+ states taking the one-particle continuum into account exactly

International Nuclear Information System (INIS)

Pyatov, N.I.; Salamov, D.I.; Fayans, S.A.

1981-01-01

The properties of discrete and resonance isobaric 0 + states of nuclei are studied within the framework of a self-consistent approach. The equations for the charge-exchange effective field are solved in the coordinate representation taking the one-particle continuum into account exactly. Microscopic estimates of the analog-state energies and the matrix elements, transition densities, and strength functions of the isospin-allowed and forbidden Fermi transitions are obtained together with the values of the isospin admixtures in the ground states of the parent nuclei and their analogs. The escape widths of the isobaric resonances are also discussed

Physically consistent data assimilation method based on feedback control for patient-specific blood flow analysis.

Science.gov (United States)

Ii, Satoshi; Adib, Mohd Azrul Hisham Mohd; Watanabe, Yoshiyuki; Wada, Shigeo

2018-01-01

This paper presents a novel data assimilation method for patient-specific blood flow analysis based on feedback control theory called the physically consistent feedback control-based data assimilation (PFC-DA) method. In the PFC-DA method, the signal, which is the residual error term of the velocity when comparing the numerical and reference measurement data, is cast as a source term in a Poisson equation for the scalar potential field that induces flow in a closed system. The pressure values at the inlet and outlet boundaries are recursively calculated by this scalar potential field. Hence, the flow field is physically consistent because it is driven by the calculated inlet and outlet pressures, without any artificial body forces. As compared with existing variational approaches, although this PFC-DA method does not guarantee the optimal solution, only one additional Poisson equation for the scalar potential field is required, providing a remarkable improvement for such a small additional computational cost at every iteration. Through numerical examples for 2D and 3D exact flow fields, with both noise-free and noisy reference data as well as a blood flow analysis on a cerebral aneurysm using actual patient data, the robustness and accuracy of this approach is shown. Moreover, the feasibility of a patient-specific practical blood flow analysis is demonstrated. Copyright © 2017 John Wiley & Sons, Ltd.

Numerical evaluation of the intensity transport equation for well-known wavefronts and intensity distributions

Science.gov (United States)

Campos-García, Manuel; Granados-Agustín, Fermín.; Cornejo-Rodríguez, Alejandro; Estrada-Molina, Amilcar; Avendaño-Alejo, Maximino; Moreno-Oliva, Víctor Iván.

2013-11-01

In order to obtain a clearer interpretation of the Intensity Transport Equation (ITE), in this work, we propose an algorithm to solve it for some particular wavefronts and its corresponding intensity distributions. By simulating intensity distributions in some planes, the ITE is turns into a Poisson equation with Neumann boundary conditions. The Poisson equation is solved by means of the iterative algorithm SOR (Simultaneous Over-Relaxation).

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

Second order guiding-center Vlasov–Maxwell equations

DEFF Research Database (Denmark)

Madsen, Jens

2010-01-01

Second order gyrogauge invariant guiding-center coordinates with strong E×B-flow are derived using the Lie transformation method. The corresponding Poisson bracket structure and equations of motion are obtained. From a variational principle the explicit Vlasov–Maxwell equations are derived...

Quadrupole terms in the Maxwell equations: Debye-Hückel theory in quadrupolarizable solvent and self-salting-out of electrolytes.

Science.gov (United States)

Slavchov, Radomir I

2014-04-28

If the molecules of a given solvent possess significant quadrupolar moment, the macroscopic Maxwell equations must involve the contribution of the density of the quadrupolar moment to the electric displacement field. This modifies the Poisson-Boltzmann equation and all consequences from it. In this work, the structure of the diffuse atmosphere around an ion dissolved in quadrupolarizable medium is analyzed by solving the quadrupolar variant of the Coulomb-Ampere's law of electrostatics. The results are compared to the classical Debye-Hückel theory. The quadrupolar version of the Debye-Hückel potential of a point charge is finite even in r = 0. The ion-quadrupole interaction yields a significant expansion of the diffuse atmosphere of the ion and, thus, it decreases the Debye-Hückel energy. In addition, since the dielectric permittivity of the electrolyte solutions depends strongly on concentration, the Born energy of the dissolved ions alters with concentration, which has a considerable contribution to the activity coefficient γ± known as the self-salting-out effect. The quadrupolarizability of the medium damps strongly the self-salting-out of the electrolyte, and thus it affects additionally γ±. Comparison with experimental data for γ± for various electrolytes allows for the estimation of the quadrupolar length of water: LQ ≈ 2 Å, in good agreement with previous assessments. The effect of quadrupolarizability is especially important in non-aqueous solutions. Data for the activity of NaBr in methanol is used to determine the quadrupolarizability of methanol with good accuracy.

Radio pulsar glitches as a state-dependent Poisson process

Science.gov (United States)

Fulgenzi, W.; Melatos, A.; Hughes, B. D.

2017-10-01

Gross-Pitaevskii simulations of vortex avalanches in a neutron star superfluid are limited computationally to ≲102 vortices and ≲102 avalanches, making it hard to study the long-term statistics of radio pulsar glitches in realistically sized systems. Here, an idealized, mean-field model of the observed Gross-Pitaevskii dynamics is presented, in which vortex unpinning is approximated as a state-dependent, compound Poisson process in a single random variable, the spatially averaged crust-superfluid lag. Both the lag-dependent Poisson rate and the conditional distribution of avalanche-driven lag decrements are inputs into the model, which is solved numerically (via Monte Carlo simulations) and analytically (via a master equation). The output statistics are controlled by two dimensionless free parameters: α, the glitch rate at a reference lag, multiplied by the critical lag for unpinning, divided by the spin-down rate; and β, the minimum fraction of the lag that can be restored by a glitch. The system evolves naturally to a self-regulated stationary state, whose properties are determined by α/αc(β), where αc(β) ≈ β-1/2 is a transition value. In the regime α ≳ αc(β), one recovers qualitatively the power-law size and exponential waiting-time distributions observed in many radio pulsars and Gross-Pitaevskii simulations. For α ≪ αc(β), the size and waiting-time distributions are both power-law-like, and a correlation emerges between size and waiting time until the next glitch, contrary to what is observed in most pulsars. Comparisons with astrophysical data are restricted by the small sample sizes available at present, with ≤35 events observed per pulsar.

Homogeneous Poisson structures

International Nuclear Information System (INIS)

Shafei Deh Abad, A.; Malek, F.

1993-09-01

We provide an algebraic definition for Schouten product and give a decomposition for any homogenenous Poisson structure in any n-dimensional vector space. A large class of n-homogeneous Poisson structures in R k is also characterized. (author). 4 refs

Quasineutral limit for the quantum Navier-Stokes-Poisson equation

OpenAIRE

Li, Min; Pu, Xueke; Wang, Shu

2015-01-01

In this paper, we study the quasineutral limit and asymptotic behaviors for the quantum Navier-Stokes-Possion equation. We apply a formal expansion according to Debye length and derive the neutral incompressible Navier-Stokes equation. To establish this limit mathematically rigorously, we derive uniform (in Debye length) estimates for the remainders, for well-prepared initial data. It is demonstrated that the quantum effect do play important roles in the estimates and the norm introduced depe...

Application of Poisson random effect models for highway network screening.

Science.gov (United States)

Jiang, Ximiao; Abdel-Aty, Mohamed; Alamili, Samer

2014-02-01

In recent years, Bayesian random effect models that account for the temporal and spatial correlations of crash data became popular in traffic safety research. This study employs random effect Poisson Log-Normal models for crash risk hotspot identification. Both the temporal and spatial correlations of crash data were considered. Potential for Safety Improvement (PSI) were adopted as a measure of the crash risk. Using the fatal and injury crashes that occurred on urban 4-lane divided arterials from 2006 to 2009 in the Central Florida area, the random effect approaches were compared to the traditional Empirical Bayesian (EB) method and the conventional Bayesian Poisson Log-Normal model. A series of method examination tests were conducted to evaluate the performance of different approaches. These tests include the previously developed site consistence test, method consistence test, total rank difference test, and the modified total score test, as well as the newly proposed total safety performance measure difference test. Results show that the Bayesian Poisson model accounting for both temporal and spatial random effects (PTSRE) outperforms the model that with only temporal random effect, and both are superior to the conventional Poisson Log-Normal model (PLN) and the EB model in the fitting of crash data. Additionally, the method evaluation tests indicate that the PTSRE model is significantly superior to the PLN model and the EB model in consistently identifying hotspots during successive time periods. The results suggest that the PTSRE model is a superior alternative for road site crash risk hotspot identification. Copyright © 2013 Elsevier Ltd. All rights reserved.

Understanding poisson regression.

Science.gov (United States)

Hayat, Matthew J; Higgins, Melinda

2014-04-01

Nurse investigators often collect study data in the form of counts. Traditional methods of data analysis have historically approached analysis of count data either as if the count data were continuous and normally distributed or with dichotomization of the counts into the categories of occurred or did not occur. These outdated methods for analyzing count data have been replaced with more appropriate statistical methods that make use of the Poisson probability distribution, which is useful for analyzing count data. The purpose of this article is to provide an overview of the Poisson distribution and its use in Poisson regression. Assumption violations for the standard Poisson regression model are addressed with alternative approaches, including addition of an overdispersion parameter or negative binomial regression. An illustrative example is presented with an application from the ENSPIRE study, and regression modeling of comorbidity data is included for illustrative purposes. Copyright 2014, SLACK Incorporated.

On hamiltonian systems with even and odd Poisson brackets and on the duality of their conservation laws

International Nuclear Information System (INIS)

Volkov, D.V.; Pashnev, A.I.; Soroka, V.A.; Tkach, V.I.

1986-01-01

Taking as example the Witten supersymmetric mechanics it is shown that the hamiltonian system with equal number of even and odd canonical variables admits simultaneously the introduction of even and odd Poisson brackets. When using bracket operations of different graduation the canonical variable equations are not varied whereas the motion integrals with opposite Grassman graduation become dual transforming into each other at the transition to Poisson bracket with opposite graduation

Canonical reduction of self-dual Yang-Mills equations to Fitzhugh-Nagumo equation and exact solutions

International Nuclear Information System (INIS)

Sayed, S.M.; Gharib, G.M.

2009-01-01

The (constrained) canonical reduction of four-dimensional self-dual Yang-Mills theory to two-dimensional Fitzhugh-Nagumo and the real Newell-Whitehead equations are considered. On the other hand, other methods and transformations are developed to obtain exact solutions for the original two-dimensional Fitzhugh-Nagumo and Newell-Whitehead equations. The corresponding gauge potential A μ and the gauge field strengths F μν are also obtained. New explicit and exact traveling wave and solitary solutions (for Fitzhugh-Nagumo and Newell-Whitehead equations) are obtained by using an improved sine-cosine method and the Wu's elimination method with the aid of Mathematica.

Consistency of direct integral estimator for partially observed systems of ordinary differential equations

NARCIS (Netherlands)

Vujačić, Ivan; Dattner, Itai

In this paper we use the sieve framework to prove consistency of the ‘direct integral estimator’ of parameters for partially observed systems of ordinary differential equations, which are commonly used for modeling dynamic processes.

Symplectic discretization for spectral element solution of Maxwell's equations

International Nuclear Information System (INIS)

Zhao Yanmin; Dai Guidong; Tang Yifa; Liu Qinghuo

2009-01-01

Applying the spectral element method (SEM) based on the Gauss-Lobatto-Legendre (GLL) polynomial to discretize Maxwell's equations, we obtain a Poisson system or a Poisson system with at most a perturbation. For the system, we prove that any symplectic partitioned Runge-Kutta (PRK) method preserves the Poisson structure and its implied symplectic structure. Numerical examples show the high accuracy of SEM and the benefit of conserving energy due to the use of symplectic methods.

Self-consistent quasi-static radial transport during the substorm growth phase

Science.gov (United States)

Le Contel, O.; Pellat, R.; Roux, A.

2000-06-01

We develop a self-consistent description of the slowly changing magnetic configuration of the near-Earth plasma sheet (NEPS) during substorm growth phase. This new approach is valid for quasi-static fluctuations ωcurrent. The quasi-neutrality condition (QNC) is solved via an expansion in the small parameter Te/Ti (Te/Ti is the ratio between the electronic and ionic temperatures). To the lowest order in Te/Ti, we find that the enforcement of QNC implies the presence of a global electrostatic potential which is constant for a given magnetic field line but varies across the magnetic field. The corresponding electric field shields the effect of the inductive component of the electric field, thereby producing a partial reduction of the motion that would correspond to the inductive electric field. Furthermore, we show that enforcing the QNC implies a field-aligned potential drop which is computed to the next order in Te/Ti in a companion paper [Le Contel et al., this issue]. In the present paper, we show that the direction of the azimuthal electric field varies along the field line, thus the equatorial electric field cannot be mapped onto the ionosphere. Furthermore during the growth phase, the (total) azimuthal electric field is directed eastward, close to the equator, and westward, off-equator. Thus large equatorial pitch angle particles drift tailward, whereas small pitch angle particles drift earthward.

Hydronium-dominated ion transport in carbon-dioxide-saturated electrolytes at low salt concentrations in nanochannels

DEFF Research Database (Denmark)

Lund Jensen, Kristian; Kristensen, Jesper Toft; Crumrine, Andrew Michael

2011-01-01

the nanochannel conductance at low salt concentrations and identify a conductance minimum before saturation at a value independent of salt concentration in the dilute limit. Via the Poisson-Boltzmann equation, our model self-consistently couples chemical-equilibrium dissociation models of the silica wall...

Modifications to POISSON

International Nuclear Information System (INIS)

Harwood, L.H.

1981-01-01

At MSU we have used the POISSON family of programs extensively for magnetic field calculations. In the presently super-saturated computer situation, reducing the run time for the program is imperative. Thus, a series of modifications have been made to POISSON to speed up convergence. Two of the modifications aim at having the first guess solution as close as possible to the final solution. The other two aim at increasing the convergence rate. In this discussion, a working knowledge of POISSON is assumed. The amount of new code and expected time saving for each modification is discussed

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.

ENTROPIES AND FLUX-SPLITTINGS FOR THE ISENTROPIC EULER EQUATIONS

Institute of Scientific and Technical Information of China (English)

无

2001-01-01

The authors establish the existence of a large class of mathematical entropies (the so-called weak entropies) associated with the Euler equations for an isentropic, compressible fluid governed by a general pressure law. A mild assumption on the behavior of the pressure law near the vacuum is solely required. The analysis is based on an asymptotic expansion of the fundamental solution (called here the entropy kernel) of a highly singular Euler-Poisson-Darboux equation. The entropy kernel is only H lder continuous and its regularity is carefully investigated. Relying on a notion introduced earlier by the authors, it is also proven that, for the Euler equations, the set of entropy flux-splittings coincides with the set of entropies-entropy fluxes. These results imply the existence of a flux-splitting consistent with all of the entropy inequalities.

Density of states, Poisson's formula of summation and Walfisz's formula

International Nuclear Information System (INIS)

Fucho, P.

1980-06-01

Using Poisson's formula for summation, we obtain an expression for density of states of d-dimensional scalar Helmoholtz's equation under various boundary conditions. Likewise, we also obtain formulas of Walfisz's type. It becomes evident that the formulas obtained by Pathria et al. in connection with ideal bosons in a finite system are exactly the same as those obtained by utilizing the formulas for density of states. (author)

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

Elliptic Preconditioner for Accelerating the Self-Consistent Field Iteration in Kohn--Sham Density Functional Theory

Energy Technology Data Exchange (ETDEWEB)

Lin, Lin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division

2013-10-28

We discuss techniques for accelerating the self consistent field (SCF) iteration for solving the Kohn-Sham equations. These techniques are all based on constructing approximations to the inverse of the Jacobian associated with a fixed point map satisfied by the total potential. They can be viewed as preconditioners for a fixed point iteration. We point out different requirements for constructing preconditioners for insulating and metallic systems respectively, and discuss how to construct preconditioners to keep the convergence rate of the fixed point iteration independent of the size of the atomistic system. We propose a new preconditioner that can treat insulating and metallic system in a unified way. The new preconditioner, which we call an elliptic preconditioner, is constructed by solving an elliptic partial differential equation. The elliptic preconditioner is shown to be more effective in accelerating the convergence of a fixed point iteration than the existing approaches for large inhomogeneous systems at low temperature.

Non-equal-time Poisson brackets

OpenAIRE

Nikolic, H.

1998-01-01

The standard definition of the Poisson brackets is generalized to the non-equal-time Poisson brackets. Their relationship to the equal-time Poisson brackets, as well as to the equal- and non-equal-time commutators, is discussed.

Energy preserving integration of bi-Hamiltonian partial differential equations

NARCIS (Netherlands)

Karasozen, B.; Simsek, G.

2013-01-01

The energy preserving average vector field (AVF) integrator is applied to evolutionary partial differential equations (PDEs) in bi-Hamiltonian form with nonconstant Poisson structures. Numerical results for the Korteweg de Vries (KdV) equation and for the Ito type coupled KdV equation confirm the

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.)

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

Branes in Poisson sigma models

International Nuclear Information System (INIS)

Falceto, Fernando

2010-01-01

In this review we discuss possible boundary conditions (branes) for the Poisson sigma model. We show how to carry out the perturbative quantization in the presence of a general pre-Poisson brane and how this is related to the deformation quantization of Poisson structures. We conclude with an open problem: the perturbative quantization of the system when the boundary has several connected components and we use a different pre-Poisson brane in every component.

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)

Geometry of the self-consistent collective-coordinate method for the large-amplitude collective motion

International Nuclear Information System (INIS)

Sakata, Fumihiko; Marumori, Toshio; Hashimoto, Yukio; Une, Tsutomu.

1983-05-01

The geometry of the self-consistent collective-coordinate (SCC) method formulated within the framework of the time-dependent Hartree-Fock (TDHF) theory is investigated by associating the variational parameters with a symplectic manifold (a TDHF manifold). With the use of a canonical-variables parametrization, it is shown that the TDHF equation is equivalent to the canonical equations of motion in classical mechanics in the TDHF manifold. This enables us to investigate geometrical structure of the SCC method in the language of the classical mechanics. The SCC method turns out to give a prescription how to dynamically extract a ''maximally-decoupled'' collective submanifold (hypersurface) out of the TDHF manifold, in such a way that a certain kind of trajectories corresponding to the large-amplitude collective motion under consideration can be reproduced on the hypersurface as precisely as possible. The stability of the hypersurface at each point on it is investigated, in order to see whether the hypersurface obtained by the SCC method is really an approximate integral surface in the TDHF manifold or not. (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)

Extended Poisson Exponential Distribution

Directory of Open Access Journals (Sweden)

Anum Fatima

2015-09-01

Full Text Available A new mixture of Modified Exponential (ME and Poisson distribution has been introduced in this paper. Taking the Maximum of Modified Exponential random variable when the sample size follows a zero truncated Poisson distribution we have derived the new distribution, named as Extended Poisson Exponential distribution. This distribution possesses increasing and decreasing failure rates. The Poisson-Exponential, Modified Exponential and Exponential distributions are special cases of this distribution. We have also investigated some mathematical properties of the distribution along with Information entropies and Order statistics of the distribution. The estimation of parameters has been obtained using the Maximum Likelihood Estimation procedure. Finally we have illustrated a real data application of our distribution.

Poisson branching point processes

International Nuclear Information System (INIS)

Matsuo, K.; Teich, M.C.; Saleh, B.E.A.

1984-01-01

We investigate the statistical properties of a special branching point process. The initial process is assumed to be a homogeneous Poisson point process (HPP). The initiating events at each branching stage are carried forward to the following stage. In addition, each initiating event independently contributes a nonstationary Poisson point process (whose rate is a specified function) located at that point. The additional contributions from all points of a given stage constitute a doubly stochastic Poisson point process (DSPP) whose rate is a filtered version of the initiating point process at that stage. The process studied is a generalization of a Poisson branching process in which random time delays are permitted in the generation of events. Particular attention is given to the limit in which the number of branching stages is infinite while the average number of added events per event of the previous stage is infinitesimal. In the special case when the branching is instantaneous this limit of continuous branching corresponds to the well-known Yule--Furry process with an initial Poisson population. The Poisson branching point process provides a useful description for many problems in various scientific disciplines, such as the behavior of electron multipliers, neutron chain reactions, and cosmic ray showers

Differential equations extended to superspace

International Nuclear Information System (INIS)

Torres, J.; Rosu, H.C.

2003-01-01

We present a simple SUSY Ns = 2 superspace extension of the differential equations in which the sought solutions are considered to be real superfields but maintaining the common derivative operators and the coefficients of the differential equations unaltered. In this way, we get self consistent systems of coupled differential equations for the components of the superfield. This procedure is applied to the Riccati equation, for which we obtain in addition the system of coupled equations corresponding to the components of the general superfield solution. (Author)