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At least 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

A new Green's function Monte Carlo algorithm for the solution of the two-dimensional nonlinear Poisson–Boltzmann equation: Application to the modeling of the communication breakdown problem in space vehicles during re-entry

The objective of this paper is the exposition of a recently-developed, novel Green's function Monte Carlo (GFMC) algorithm for the solution of nonlinear partial differential equations and its application to the modeling of the plasma sheath region around a cylindrical conducting object, carrying a potential and moving at low speeds through an otherwise neutral medium. The plasma sheath is modeled in equilibrium through the GFMC solution of the nonlinear Poisson–Boltzmann (NPB) equation. The traditional Monte Carlo based approaches for the solution of nonlinear equations are iterative in nature, involving branching stochastic processes which are used to calculate linear functionals of the solution of nonlinear integral equations. Over the last several years, one of the authors of this paper, K. Chatterjee has been developing a philosophically-different approach, where the linearization of the equation of interest is not required and hence there is no need for iteration and the simulation of branching processes. Instead, an approximate expression for the Green's function is obtained using perturbation theory, which is used to formulate the random walk equations within the problem sub-domains where the random walker makes its walks. However, as a trade-off, the dimensions of these sub-domains have to be restricted by the limitations imposed by perturbation theory. The greatest advantage of this approach is the ease and simplicity of parallelization stemming from the lack of the need for iteration, as a result of which the parallelization procedure is identical to the parallelization procedure for the GFMC solution of a linear problem. The application area of interest is in the modeling of the communication breakdown problem during a space vehicle's re-entry into the atmosphere. However, additional application areas are being explored in the modeling of electromagnetic propagation through the atmosphere/ionosphere in UHF/GPS applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

On push-forward representations in the standard gyrokinetic model

Two representations of fluid moments in terms of a gyro-center distribution function and gyro-center coordinates, which are called push-forward representations, are compared in the standard electrostatic gyrokinetic model. In the representation conventionally used to derive the gyrokinetic Poisson equation, the pull-back transformation of the gyro-center distribution function contains effects of the gyro-center transformation and therefore electrostatic potential fluctuations, which is described by the Poisson brackets between the distribution function and scalar functions generating the gyro-center transformation. Usually, only the lowest order solution of the generating function at first order is considered to explicitly derive the gyrokinetic Poisson equation. This is true in explicitly deriving representations of scalar fluid moments with polarization terms. One also recovers the particle diamagnetic flux at this order because it is associated with the guiding-center transformation. However, higher-order solutions are needed to derive finite Larmor radius terms of particle flux including the polarization drift flux from the conventional representation. On the other hand, the lowest order solution is sufficient for the other representation, in which the gyro-center transformation part is combined with the guiding-center one and the pull-back transformation of the distribution function does not appear.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1984

A vectorized solution for incompressible flow

An algorithm is developed to obtain solutions to the unsteady Reynolds-averaged incompressible Navier-Stokes equations in general curvilinear coordinates on a vector processor. The governing equations are in nonconservative form with the velocity and pressure as dependent variables. Two momentum equations and the Poisson equation for pressure form a set of three governing equations for three flow field unknowns: u, v, and p. The governing equations and boundary conditions are expressed in terms of boundary-conforming curvilinear coordinates, and a checkerboard SOR iteration is used to solve the governing equations. Several possible sequences for a checkerboard SOR iteration are investigated for finding the best overall convergence rate. The efficiency and capability of the present algorithm was assessed using the example of an 18 percent thick NACA 66(3)018 airfoil at zero degree angle of attack for chord Reynolds number range 1000-40,000.

Patel, N. R.↗
NASA NTRS1985

The electrostatics of a dusty plasma

Voyager 1 and 2 observations of the Saturnian ring system have led to the discovery of several interesting phenomena associated with its fine dust component. The dust grains are immersed in a plasma. The present paper is concerned with the electrostatics of a dusty plasma, giving particular attention to the capacitance and charge of an individual grain in the presence of neighboring grains and the surrounding plasma. The Poisson equation and gauge considerations are discussed along with a solution of the Poisson equation for several models, taking into account impermeable grains, permeable grains, and a spherical capacitor model. A comparison of potential shapes for three models is conducted, and the effect of neighbors on charging currents is explored.

Whipple, E. C.↗
NASA NTRS1990

Analysis of energy states in modulation doped multiquantum well heterostructures

A precise and effective numerical procedure to model the band diagram of modulation doped multiquantum well heterostructures is presented. This method is based on a self-consistent iterative solution of the Schroedinger equation and the Poisson equation. It can be used rather easily in any arbitrary modulation-doped structure. In addition to confined energy subbands, the unconfined states can be calculated as well. Examples on realistic device structures are given to demonstrate capabilities of this procedure. The numerical results are in good agreement with experiments. With the aid of this method the transitions involving both the confined and unconfined conduction subbands in a modulation doped AlGaAs/GaAs superlattice, and in a strained layer InGaAs/GaAs superlattice are identified. These results represent the first observation of unconfined transitions in modulation doped multiquantum well structures.

Ji, G.↗
DOE OSTI2017

Multilevel Sequential Monte Carlo Samplers for Normalizing Constants

This article considers the sequential Monte Carlo (SMC) approximation of ratios of normalizing constants associated to posterior distributions which in principle rely on continuum models. Therefore, the Monte Carlo estimation error and the discrete approximation error must be balanced. A multilevel strategy is utilized to substantially reduce the cost to obtain a given error level in the approximation as compared to standard estimators. Two estimators are considered and relative variance bounds are given. The theoretical results are numerically illustrated for two Bayesian inverse problems arising from elliptic partial differential equations (PDEs). The examples involve the inversion of observations of the solution of (i) a 1-dimensional Poisson equation to infer the diffusion coefficient, and (ii) a 2-dimensional Poisson equation to infer the external forcing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

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

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.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Influence of the technological parameters of growth on the characteristics of double tunnel-coupled InGaAs/GaAs quantum wells

A comprehensive analysis of double tunnel-coupled InGaAs/GaAs quantum well heterostructures is carried out. The real composition profiles of the structures are obtained by high-resolution transmission electron microscopy and energy-dispersive spectrometry. The resultant profiles are compared with the profile obtained by computer simulation. By solving the Schrödinger equation in combination with the Poisson equation, the energy states for quantum-confined heterostructures with initially specified and real composition profiles are calculated. The influence of a number of factors, such as the well width, barrier thickness, and the background doping level on the properties of the heterostructure is thoroughly analyzed. In this manner, the optical characteristics and their dependence on the growth technology and geometric parameters of the structures are studied. Such an approach makes it possible to refine the real geometric parameters of wells and barriers and to correct the parameters of the structure and growth technology in order to improve the optical characteristics.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Numerical Analysis of 2-D and 3-D MHD Flows Relevant to Fusion Applications

Here, the analysis of many fusion applications such as liquid-metal blankets requires application of computational fluid dynamics (CFD) methods for electrically conductive liquids in geometrically complex regions and in the presence of a strong magnetic field. A current state of the art general purpose CFD code allows modeling of the flow in complex geometric regions, with simultaneous conjugated heat transfer analysis in liquid and surrounding solid parts. Together with a magnetohydrodynamics (MHD) capability, the general purpose CFD code will be a valuable tool for the design and optimization of fusion devices. This paper describes an introduction of MHD capability into the general purpose CFD code CFX, part of the ANSYS Workbench. The code was adapted for MHD problems using a magnetic induction approach. CFX allows introduction of user-defined variables using transport or Poisson equations. For MHD adaptation of the code three additional transport equations were introduced for the components of the magnetic field, in addition to the Poisson equation for electric potential. The Lorentz force is included in the momentum transport equation as a source term. Fusion applications usually involve very strong magnetic fields, with values of the Hartmann number of up to tens of thousands. In this situation a system of MHD equations become very rigid with very large source terms and very strong variable gradients. To increase system robustness, special measures were introduced during the iterative convergence process, such as linearization using source coefficient for momentum equations. The MHD implementation in general purpose CFD code was tested against benchmarks, specifically selected for liquid-metal blanket applications. Results of numerical simulations using present implementation closely match analytical solutions for a Hartmann number of up to 1500 for a 2-D laminar flow in the duct of square cross section, with conducting and nonconducting walls. Results for a 3-D test case are also included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

INFERRING GRAVITATIONAL POTENTIALS FROM MASS DENSITIES IN CLUSTER-SIZED HALOS

We use N-body simulations to quantify how the escape velocity in cluster-sized halos maps to the gravitational potential in a ΛCDM universe. Using spherical density-potential pairs and the Poisson equation, we find that the matter density inferred gravitational potential profile predicts the escape velocity profile to within a few percent accuracy for group and cluster-sized halos (10{sup 13}<M{sub 200}<10{sup 15} M {sub ⊙}, with respect to the critical density). The accuracy holds from just outside the core to beyond the virial radius. We show the importance of explicitly incorporating a cosmological constant when inferring the potential from the Poisson equation. We consider three density models and find that the Einasto and Gamma profiles provide a better joint estimate of the density and potential profiles than the Navarro, Frenk, and White profile, which fails to accurately represent the escape velocity. For individual halos, the 1σ scatter between the measured escape velocity and the density-inferred potential profile is small (<5%). Finally, while the sub-halos show 15% biases in their representation of the particle velocity dispersion profile, the sub-halo escape velocity profile matches the dark matter escape velocity profile to high accuracy with no evidence of velocity bias outside 0.4r {sub 200}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

THE CONVERGENCE OF PARTICLE-IN-CELL SCHEMES FOR COSMOLOGICAL DARK MATTER SIMULATIONS

Particle methods are a ubiquitous tool for solving the Vlasov–Poisson equation in comoving coordinates, which is used to model the gravitational evolution of dark matter (DM) in an expanding universe. However, these methods are known to produce poor results on idealized test problems, particularly at late times, after the particle trajectories have crossed. To investigate this, we have performed a series of one- and two-dimensional “Zel’dovich pancake” calculations using the popular particle-in-cell (PIC) method. We find that PIC can indeed converge on these problems provided that the following modifications are made. The first modification is to regularize the singular initial distribution function by introducing a small but finite artificial velocity dispersion. This process is analogous to artificial viscosity in compressible gas dynamics, and, as with artificial viscosity, the amount of regularization can be tailored so that its effect outside of a well-defined region—in this case, the high-density caustics—is small. The second modification is the introduction of a particle remapping procedure that periodically reexpresses the DM distribution function using a new set of particles. We describe a remapping algorithm that is third-order accurate and adaptive in phase space. This procedure prevents the accumulation of numerical errors in integrating the particle trajectories from growing large enough to significantly degrade the solution. Once both of these changes are made, PIC converges at second order on the Zel’dovich pancake problem, even at late times, after many caustics have formed. Furthermore, the resulting scheme does not suffer from the unphysical, small-scale “clumping” phenomenon known to occur on the pancake problem when the perturbation wavevector is not aligned with one of the Cartesian coordinate axes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Approximate expression for the electric potential around an absorbing particle in isotropic collisionless plasma

A new approximate expression for the potential distribution around an absorbing particle in isotropic collisionless plasma is proposed. The approximate expression is given by the sum of the Debye-Hückel potential with an effective screening length and the far-field asymptote obtained from the solution of the linearized Poisson equation. In contrast to analogous models, the effective screening length is not fixed but depends on the distance from the particle. This allows us to obtain a more accurate approximation for the potential distribution in the entire range of distances. The dependence of the screening length on the distance is predicted from the analysis of the charge density distribution function. This dependence contains two adjustable parameters, which are calculated by applying the procedure based on charge balance considerations. Using the obtained results, simple expressions for the parameters of the model are proposed. In addition, a simple expression for the characteristic screening length, which can be used to approximate the potential distribution near the particle, is obtained. The developed model potential is shown to be in excellent agreement with the solution of the nonlinear Poisson equation for typical conditions used in experiments with complex plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1999

Hierarchical Approach to 'Atomistic' 3-D MOSFET Simulation

We present a hierarchical approach to the 'atomistic' simulation of aggressively scaled sub-0.1 micron MOSFET's. These devices are so small that their characteristics depend on the precise location of dopant atoms within them, not just on their average density. A full-scale three-dimensional drift-diffusion atomistic simulation approach is first described and used to verify more economical, but restricted, options. To reduce processor time and memory requirements at high drain voltage, we have developed a self-consistent option based on a solution of the current continuity equation restricted to a thin slab of the channel. This is coupled to the solution of the Poisson equation in the whole simulation domain in the Gummel iteration cycles. The accuracy of this approach is investigated in comparison to the full self-consistent solution. At low drain voltage, a single solution of the nonlinear Poisson equation is sufficient to extract the current with satisfactory accuracy. In this case, the current is calculated by solving the current continuity equation in a drift approximation only, also in a thin slab containing the MOSFET channel. The regions of applicability for the different components of this hierarchical approach are illustrated in example simulations covering the random dopant-induced threshold voltage fluctuations, threshold voltage lowering, threshold voltage asymmetry, and drain current fluctuations.

Asenov, Asen↗
DOE OSTI2015

Gyrokinetic particle simulation of microturbulence for general magnetic geometry and experimental profiles

Developments in gyrokinetic particle simulation enable the gyrokinetic toroidal code (GTC) to simulate turbulent transport in tokamaks with realistic equilibrium profiles and plasma geometry, which is an essential step in the code–experiment validation process. These novel developments include numerical equilibrium representation using B-splines, a new Poisson solver based on finite difference using field-aligned mesh and magnetic flux coordinates, a new zonal flow solver for general geometry, and improvements on the conventional four-point gyroaverage with nonuniform background marker loading. The gyrokinetic Poisson equation is solved in the perpendicular plane instead of the poloidal plane. Exploiting these new features, GTC is able to simulate a typical DIII-D discharge with experimental magnetic geometry and profiles. The simulated turbulent heat diffusivity and its radial profile reflects good agreement with other gyrokinetic codes. The newly developed nonuniform loading method provides a modified radial transport profile to that of the conventional uniform loading method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Tencoder: tensor-product encoder-decoder architecture for predicting solutions of PDEs with variable boundary data

It is widely hoped that artificial intelligence will boost data-driven surrogate models in science and engineering. However, fundamental spatial aspects of AI surrogate models remain under-studied. We investigate the ability of neural-network surrogate models to predict solutions to PDEs under variable boundary values. We do not wish to retrain the model when the boundary values change but to make them inputs to the model and infer the solution of the PDE under those boundary conditions. Such a capability is essential to making AI-based surrogate models practically useful. While simple feedforward networks are used for one-dimensional (1D) Poisson equation, an encoder-decoder architecture with a tensor-product layer is developed for the two-dimensional Poisson equation posed on a rectangular domain. We show that it is indeed possible to infer solutions to PDEs from variable boundary data using neural networks in this relatively simple setting, and point to future directions.

Kashi, Aditya↗
NASA NTRS1992

Direct Coupling Method for Time-Accurate Solution of Incompressible Navier-Stokes Equations

A noniterative finite difference numerical method is presented for the solution of the incompressible Navier-Stokes equations with second order accuracy in time and space. Explicit treatment of convection and diffusion terms and implicit treatment of the pressure gradient give a single pressure Poisson equation when the discretized momentum and continuity equations are combined. A pressure boundary condition is not needed on solid boundaries in the staggered mesh system. The solution of the pressure Poisson equation is obtained directly by Gaussian elimination. This method is tested on flow problems in a driven cavity and a curved duct.

Soh, Woo Y.↗
DOE OSTI2015

Electromagnetic effects in high-frequency large-area capacitive discharges: A review

In traditional capacitively coupled plasmas, the discharge can be described by an electrostatic model, in which the Poisson equation is employed to determine the electrostatic electric field. However, current plasma reactors are much larger and driven at a much higher frequency. If the excitation wavelength λ in the plasma becomes comparable to the electrode radius, and the plasma skin depth δ becomes comparable to the electrode spacing, the electromagnetic (EM) effects will become significant and compromise the plasma uniformity. In this regime, capacitive discharges have to be described by an EM model, i.e., the full set of Maxwell's equations should be solved to address the EM effects. This paper gives an overview of the theory, simulation and experiments that have recently been carried out to understand these effects, which cause major uniformity problems in plasma processing for microelectronics and flat panel display industries. Furthermore, some methods for improving the plasma uniformity are also described and compared.

42 ENGINEERING↗
NASA NTRS1991

Simulations of curved turbulent boundary layers

The objective of this work is to develop a space-time accurate numerical method for the solution of incompressible Navier-Stokes equations in generalized coordinates. The resulting code is to be used for direct and large-eddy simulation of turbulence in complex geometries. In a previous paper, the system of Navier-Stokes equations in general curvilinear coordinates was solved by a second-order accurate finite-difference scheme. Satisfactory results were obtained for several flows in two and three dimensions. The system of Navier-Stokes for the fluxes are given in Orlandi (1989). The main deficiency of the numerical scheme was the large CPU time required for the solution of the Poisson equation for the 'pressure' field. The point SOR relaxation, in conjunction with a multigrid scheme, was used for the Poisson equation. In some cases, particularly with very fine grids, it was impossible to obtain a divergent-free flow. A preliminary attempt is made to compute the spatially evolving flow of Swearingen & Blackwelder. To reduce the streamwise distance, the inflow was at a distance x = 60 cm from the leading edge.

Orlandi, Paolo↗