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At least 1,657 records · Page 92

On modeling subgrid-scale macro-structures in narrow twisted channels

Porosity-based subgrid topography models often fail to capture the effects of subgrid-scale topographic features in the interior of coarse grid cells. Existing approaches that modify bottom roughness or a drag coefficient are inadequate for macro-structures (large emergent or submerged obstacles) in subgrid-scale narrow twisted channels. Such structures partially block the cross-sectional area and provide enhanced topographic dissipation – effects that are not well represented by a drag coefficient that scales on a coarse-grid cell-averaged velocity and the cell volume. The relative alignment between mesh and flow further complicates this problem as it makes the subgrid model sensitive to mesh design. In the present study, three new approaches for simulating subgrid-scale macro-structures in narrow channels are proposed. The interior partial-blocking effect of structures is modeled as reduction of grid face-area. The sheltering of flow volumes around obstacles, which leads to topographic dissipation, is modeled by reducing the cell volume in the momentum equation (only). A mesh-shift procedure is designed to optimize mesh alignment for identifiable subgrid features. Combining the three subgrid methods improves the approximation of surface elevation and in-channel flow rate with a coarse-grid model. Tests are conducted for channelized flow using both synthetic domains and real marsh topography. Finally, the new methods reduce the overall mesh dependency of the subgrid model and provides stronger physical connection between effects of macro-structures and their geometry at coarse grid scales.

42 ENGINEERING↗

A hybrid numerical technique for predicting the aerodynamic and acoustic fields of advanced turboprops

A hybrid numerical procedure is presented for the prediction of the aerodynamic and acoustic performance of advanced turboprops. A hybrid scheme is proposed which in principle leads to a consistent simultaneous prediction of both fields. In the inner flow a finite difference method, the Approximate-Factorization Alternating-Direction-Implicit (ADI) scheme, is used to solve the nonlinear Euler equations. In the outer flow the linearized acoustic equations are solved via a Boundary-Integral Equation (BIE) method. The two solutions are iteratively matched across a fictitious interface in the flow so as to maintain continuity. At convergence the resulting aerodynamic load prediction will automatically satisfy the appropriate free-field boundary conditions at the edge of the finite difference grid, while the acoustic predictions will reflect the back-reaction of the radiated field on the magnitude of the loading source terms, as well as refractive effects in the inner flow. The equations and logic needed to match the two solutions are developed and the computer program implementing the procedure is described. Unfortunately, no converged solutions were obtained, due to unexpectedly large running times. The reasons for this are discussed and several means to alleviate the situation are suggested.

Homicz, G. F.↗

On the prediction of multigrid efficiency through local mode analysis

A single grid local mode analysis is used to predict the smoothing properties of numerical schemes for solving the Navier-Stokes equations with factorization based on Stone's Strongly Implicit Method. Four difference approximations for the convection terms are considered, namely, hybrid, central, second-order upwind, and third-order upwind. Smoothing factors from the analysis are compared with practical convergence factors in a multigrid method for flow over a backward facing step and it is found that the local mode analysis correctly predicts the effects of Reynolds number and higher-order schemes.

Wilson, R. V.↗

Numerically exact generalized Green's function cluster expansions for electron-phonon problems

We generalize the family of approximate momentum average methods to formulate a numerically exact, convergent hierarchy of equations whose solution provides an efficient algorithm to compute the Green's function of a particle dressed by bosons suitable in the entire parameter regime. We use this approach to extract ground-state properties and spectral functions. Our approximation-free framework, dubbed the generalized Green's function cluster expansion (GGCE), allows access to exact numerical results in the extreme adiabatic limit, where many standard methods struggle or completely fail. We showcase the performance of the method, specializing three important models of charge-boson coupling in solids and molecular complexes: the molecular Holstein model, which describes coupling between charge density and local distortions, the Peierls model, which describes modulation of charge hopping due to intersite distortions, and a more complex Holstein + Peierls system with couplings to two different phonon modes, paradigmatic of charge-lattice interactions in organic crystals. Furthermore, the GGCE serves as an efficient approach that can be systematically extended to different physical scenarios, thus providing a tool to model the frequency dependence of dressed particles in realistic settings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Composite methods for hyperbolic equations

A composite approximation procedure combining the properties of the Lax-Wendroff and leapfrog algorithms is proposed for solving hyperbolic equations. For a one-dimensional equation, a three-step approximation consisting of a two-step Richtmeyer method followed by a leapfrog step is considered. This is a two-level scheme, so all difficulties, including storage requirements, associated with the three-level leapfrog are eliminated. For two-dimensional problems a generalization of the preceding method is used consisting of a rotated Richtmeyer method followed by a modified leapfrog step. It is found that the composite schemes are effective in reducing oscillations and nonlinear instabilities that affect the leapfrog method. The dissipation in the composite schemes is much less than in the Richtmeyer algorithm, and hence can be used for long term integrations.

Turkel, E.↗

Dependence of the structure and dynamics of liquid silicon on the choice of density functional approximation

In addition to its technological relevance, silicon poses a challenge for first principles simulations because it undergoes a semiconductor-to-metal transition upon melting. Moreover, the resulting metallic liquid contains a mixture of metallic and covalent bonding. This coexistence of fundamentally different interactions is difficult to describe within approximate density functional methods, which oftentimes cannot accurately describe these two extremes simultaneously. Here, we report an investigation of the structure, dynamics, and thermodynamics of liquid silicon using ab initio molecular dynamics simulations with three density functional approximations: the local density approximation, the Perdew-Burke-Ernzerhof generalized gradient approximation, and the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation. We demonstrate that SCAN describes this liquid with better accuracy than the other often-used functionals because it can simultaneously capture covalent and metallic bonding with similar high accuracy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Calculated coupling efficiency between an elliptical-core optical fiber and an optical waveguide over temperature

To determine the feasibility of coupling the output of a single-mode optical fiber into a single-mode rib waveguide in a temperature varying environment, a theoretical calculation of the coupling efficiency between the two was investigated. Due to the complex geometry of the rib guide, there is no analytical solution to the wave equation for the guided modes, thus, approximation and/or numerical techniques must be utilized to determine the field patterns of the guide. In this study, three solution methods were used for both the fiber and guide fields; the effective-index method (EIM), Marcatili's approximation, and a Fourier method. These methods were utilized independently to calculate the electric field profile of each component at two temperatures, 20 C and 300 C, representing a nominal and high temperature. Using the electric field profile calculated from each method, the theoretical coupling efficiency between an elliptical-core optical fiber and a rib waveguide was calculated using the overlap integral and the results were compared. It was determined that a high coupling efficiency can be achieved when the two components are aligned. The coupling efficiency was more sensitive to alignment offsets in the y direction than the x, due to the elliptical modal field profile of both components. Changes in the coupling efficiency over temperature were found to be minimal.

Tuma, Margaret L.↗

Comparison of the Unified Perturbation Method with the two-scale expansion

The Unified Perturbation Method (UPM) converges faster over a wider domain of surface roughness than other perturbations, such as the small perturbation method, the phase perturbation method, the Kirchhoff approximation, and the momentum transfer expansion. It can be shown that UPM intrinsically possess characteristics similar to the two-scale expansion without requiring a free parameter. This paper considers whether the UPM can be improved by applying the two-scale concept to the method. In order to do so, the unknown source current is expanded in a two-scale manner starting from the extinction theorem. Several two-scale expansions are derived and are compared with the conventional two-scale approximation. It is shown that the UPM performs best without two-scale expansions.

Kim, Yunjin↗

Interpolation Method Needed for Numerical Uncertainty Analysis of Computational Fluid Dynamics

Using Computational Fluid Dynamics (CFD) to predict a flow field is an approximation to the exact problem and uncertainties exist. There is a method to approximate the errors in CFD via Richardson's Extrapolation. This method is based off of progressive grid refinement. To estimate the errors in an unstructured grid, the analyst must interpolate between at least three grids. This paper describes a study to find an appropriate interpolation scheme that can be used in Richardson's extrapolation or other uncertainty method to approximate errors. Nomenclature

CFD↗

Electron impact ionization in dense plasmas

Here, the distorted-wave with exchange (DWE) method is employed to evaluate electron impact ionization cross sections in dense electron–ion plasmas. Bound and continuum electron wave functions are obtained from a non-relativistic average-atom code. Plots of DWE cross sections are presented for 1s electrons in Li and Be plasmas and 2p electrons in Na and Mg plasmas. For each of these elements, cross sections are evaluated at metallic density in a range of temperatures from 10 to 100 eV and at their respective melting points. Resonances in the cross sections appear near the incident energy threshold at high temperatures. The origin of these resonances is discussed. In general, the distorted wave (DW) method without exchange is found to be a good approximation to the DWE method for electron impact ionization calculations. In the resonance region, however, exchange effects are found to be very important and cannot be neglected.

74 ATOMIC AND MOLECULAR PHYSICS↗

High-Order Implicit-Explicit Multi-Block Time-stepping Method for Hyperbolic PDEs

This work seeks to explore and improve the current time-stepping schemes used in computational fluid dynamics (CFD) in order to reduce overall computational time. A high-order scheme has been developed using a combination of implicit and explicit (IMEX) time-stepping Runge-Kutta (RK) schemes which increases numerical stability with respect to the time step size, resulting in decreased computational time. The IMEX scheme alone does not yield the desired increase in numerical stability, but when used in conjunction with an overlapping partitioned (multi-block) domain significant increase in stability is observed. To show this, the Overlapping-Partition IMEX (OP IMEX) scheme is applied to both one-dimensional (1D) and two-dimensional (2D) problems, the nonlinear viscous Burger's equation and 2D advection equation, respectively. The method uses two different summation by parts (SBP) derivative approximations, second-order and fourth-order accurate. The Dirichlet boundary conditions are imposed using the Simultaneous Approximation Term (SAT) penalty method. The 6-stage additive Runge-Kutta IMEX time integration schemes are fourth-order accurate in time. An increase in numerical stability 65 times greater than the fully explicit scheme is demonstrated to be achievable with the OP IMEX method applied to 1D Burger's equation. Results from the 2D, purely convective, advection equation show stability increases on the order of 10 times the explicit scheme using the OP IMEX method. Also, the domain partitioning method in this work shows potential for breaking the computational domain into manageable sizes such that implicit solutions for full three-dimensional CFD simulations can be computed using direct solving methods rather than the standard iterative methods currently used.

Nielsen, Tanner B.↗

Accuracy and convergence properties of the fixed-stress iterative solution of two-way coupled poromechanics

Here, the paper deals with the numerical solution of Biot's equations of coupled consolidation obtained by a mixed formulation combining continuous Galerkin finite–element and multipoint flux approximation finite–volume methods. The solution algorithm relies on the recently developed fixed–stress solution scheme, in which first the flow problem and then the mechanical one are addressed iteratively. We show that the algorithm can be interpreted as a particular block triangular preconditioning strategy applied within a Richardson iteration. The key component to the success of the preconditioner is the sparse approximation to the Schur complement based on a pressure space mass matrix scaled by a weighting factor that depends element–wise on the inverse of a suitable bulk modulus. The accuracy of the method is assessed, making use of well–known analytical solutions from the literature. Numerical results demonstrate robustness and low computational cost of the fixed–stress scheme in accurately capturing the two–way coupling between deformation and pressure.

58 GEOSCIENCES↗

Dispersion characteristics of planar grating with arbitrary grooves for terahertz Smith-Purcell radiation

In this paper, a novel method of getting the dispersion relations in planar grating with arbitrary grooves for terahertz Smith-Purcell radiation is investigated analytically. The continuous profile of the groove is approximately replaced by a series of rectangular steps. By making use of field matches method and the continuity of transverse admittance, the universal dispersion equation for grating with arbitrarily shaped grooves is derived. By solving the dispersion equation in presence of electron beam, the growth rate is obtained directly and the dependence on beam parameters is analyzed. Comparisons of the dispersion characteristics among some special groove shapes have been made by numerical calculation. The results show that the rectangular-step approximation method provides a novel approach to obtain the universal dispersion relation for grating with arbitrary grooves for Smith-Purcell radiation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A modified Monte Carlo 'local importance function transform' method

The Local Importance Function Transform (LIFT) method uses an approximation of the contribution transport problem to bias a forward Monte-Carlo (MC) source-detector simulation [1-3]. Local (cell-based) biasing parameters are calculated from an inexpensive deterministic adjoint solution and used to modify the physics of the forward transport simulation. In this research, we have developed a new expression for the LIFT biasing parameter, which depends on a cell-average adjoint current to scalar flux (J{sup *}/{phi}{sup *}) ratio. This biasing parameter differs significantly from the original expression, which uses adjoint cell-edge scalar fluxes to construct a finite difference estimate of the flux derivative; the resulting biasing parameters exhibit spikes in magnitude at material discontinuities, causing the original LIFT method to lose efficiency in problems with high spatial heterogeneity. The new J{sup *}/{phi}{sup *} expression, while more expensive to obtain, generates biasing parameters that vary smoothly across the spatial domain. The result is an improvement in simulation efficiency. A representative test problem has been developed and analyzed to demonstrate the advantage of the updated biasing parameter expression with regards to solution figure of merit (FOM). For reference, the two variants of the LIFT method are compared to a similar variance reduction method developed by Depinay [4, 5], as well as MC with deterministic adjoint weight windows (WW). (authors)

97 MATHEMATICS AND COMPUTING↗

Electron-ion collision-frequency for x-ray Thomson scattering in dense plasmas

Two methods are presented to calculate the electron-ion collision-frequency in dense plasmas using an average-atom model. The first one is based on the Kubo-Greenwood approach. The second one uses the Born and Lenard-Balescu approximations. The two methods are used to calculate x-ray Thomson scattering spectra. Illustrations are shown for dense beryllium and aluminum plasmas. Comparisons with experiment are presented in the case of an x-ray Thomson scattering spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of a continuous linear model of a d-c to d-c flyback converter.

The analytical design of the feedback circuit for a d-c flyback converter requires the formulation of a model defining the static and dynamic performance of the forward loop. This paper describes the steps which were taken to develop a linear continuous model of a typical flyback circuit. Although the method uses several approximations to simplify the work, the resulting model was found to duplicate the performance of the actual circuit very closely. The model makes it possible to design the feedback circuit using well known linear feedback techniques. The method is an extension of prior work in the modeling of pulse-width controlled circuits.

Wells, B. A.↗

Solving the current element problem over lossy half-space without Sommerfeld integrals

An approach is presented for efficient computation of the vector potentials arising in the problem of a current element radiating over a lossy half-space. The present approach departs from the conventional ones in that it works primarily with the transform domain representations rather than with the Sommerfeld integrals which are the corresponding spatial domain counterparts. The key step in the present method is to approximate the transforms using a suitable approximation which is valid for a wide range of parameters of practical interest. The approximated transforms can be inverted in a closed form for the horizontal component of the vector potentials and can be expressed in a computationally efficient form for the vertical component. Numerical results illustrating the accuracy of the method are presented and some estimates of comparative computational times are also included.

Mittra, R.↗

A Most Probable Point-Based Method for Reliability Analysis, Sensitivity Analysis and Design Optimization

A major step in a most probable point (MPP)-based method for reliability analysis is to determine the MPP. This is usually accomplished by using an optimization search algorithm. The minimum distance associated with the MPP provides a measurement of safety probability, which can be obtained by approximate probability integration methods such as FORM or SORM. The reliability sensitivity equations are derived first in this paper, based on the derivatives of the optimal solution. Examples are provided later to demonstrate the use of these derivatives for better reliability analysis and reliability-based design optimization (RBDO).

Hou, Gene J.-W↗