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At least 19 records

A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas

We propose a second-order temporally implicit, fourth-order-accurate spatial discretization scheme for the strongly anisotropic heat transport equation characteristic of hot, fusion-grade plasmas. Following Du Toit et al. (2018), the scheme transforms mixed-derivative diffusion fluxes (which are responsible for the lack of a discrete maximum principle) into nonlinear advective fluxes, amenable to nonlinear-solver-friendly monotonicity-preserving limiters. The scheme enables accurate multi-dimensional heat transport simulations with up to seven orders of magnitude of heat-transport-coefficient anisotropies with low cross-field numerical error pollution and excellent algorithmic performance, with the number of linear iterations scaling very weakly with grid resolution and grid anisotropy, and scaling with the square-root of the implicit timestep. We propose a multigrid preconditioning strategy based on a lower-order approximation that renders the scheme efficient and scalable under grid refinement. Several numerical tests are presented that display the expected spatial convergence rates and strong algorithmic performance, including fully nonlinear magnetohydrodynamics simulations of kink instabilities in a Bennett pinch in 2D helical geometry and of ITER in 3D toroidal geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

CurvilinearGrids.jl: A Julia package for curvilinear coordinate transformations

Finite-difference discretizations of partial differential equations are widespread throughout the scientific community. Oftentimes finite-differences are used to compute spatial gradients of fields on a discrete grid, which is typically a uniform or rectilinear Cartesian mesh. Arbitrary multidimensional geometry is difficult to discretize directly with finite differences, however, due to non-uniform grid spacing and non-orthogonality. Curvilinear coordinate transformations can be used as a strategy to enable arbitrary geometry. While these curvilinear transformations are straightforward, the governing PDEs require additional terms (metrics) and must adhere to strict conservation laws; these criteria complicate the application of the transformation and require careful implementation.

97 MATHEMATICS AND COMPUTING↗

Multigrid Methods for EHL Problems

In many bearings and contacts, forces are transmitted through thin continuous fluid films which separate two contacting elements. Objects in contact are normally subjected to friction and wear which can be reduced effectively by using lubricants. If the lubricant film is sufficiently thin to prevent the opposing solids from coming into contact and carries the entire load, then we have hydrodynamic lubrication, where the lubricant film is determined by the motion and geometry of the solids. However, for loaded contacts of low geometrical conformity, such as gears, rolling contact bearings and cams, this is not the case due to high pressures and this is referred to as Elasto-Hydrodynamic Lubrication (EHL) In EHL, elastic deformation of the contacting elements and the increase in fluid viscosity with pressure are very significant and cannot be ignored. Since the deformation results in changing the geometry of the lubricating film, which in turn determines the pressure distribution, an EHL mathematical model must simultaneously satisfy the complex elasticity (integral) and the Reynolds lubrication (differential) equations. The nonlinear and coupled nature of the two equations makes numerical calculations computationally intensive. This is especially true for highly loaded problems found in practice. One novel feature of these problems is that the solution may exhibit sharp pressure spikes in the outlet region. To this date both finite element and finite difference methods have been used to solve EHL problems with perhaps greater emphasis on the use of the finite difference approach. In both cases, a major computational difficulty is ensuring convergence of the nonlinear equations solver to a steady state solution. Two successful methods for achieving this are direct iteration and multigrid methods. Direct iteration methods (e.g Gauss Seidel) have long been used in conjunction with finite difference discretizations on regular meshes. Perhaps one of the best examples of the application of such methods is the recent Effective Influence Method of Dowson and Wang. Multigrid methods have also been used with great success by Venner and Venner and Lubrecht with a good summary being given by Venner. As both these finite difference discretization based approaches appear to provide an efficient way of solving EHL problems, it is important to understand their relative merits. This paper is a first attempt at providing such an understanding in the context of EHL point contact problem, (contact of two spheres), in which the contact zone is a point and an ellipse or circle for unloaded and loaded dry contacts respectively. Since the film thickness and the contact width are generally small compared to the local radius of curvature of the two surfaces, the reduced geometry of the surfaces in the contact area can be accurately approximated to the contact between a paraboloid and a flat surface. The layout of the remainder of this paper is as follows. In section 2 we introduce the form of the equations to be solved. The Effective Influence Newton Method is described in Section 3 while Section 4 describes the Multigrid method to be used. Sections 5 and 6 describe the test problems to be used in the comparison between the two methods and compare the performance of the two methods. Section 7 concludes the paper with an argument of the two methods and suggests some future research directions.

Nurgat, Elyas↗

Error Estimates for the Optimal Control of a Parabolic Fractional PDE

In this work, we consider the integral definition of the fractional Laplacian and analyze a linear-quadratic optimal control problem for the so-called fractional heat equation; control constraints are also considered. We derive existence and uniqueness results, first order optimality conditions, and regularity estimates for the optimal variables. To discretize the state equation we propose a fully discrete scheme that relies on an implicit finite difference discretization in time combined with a piecewise linear finite element discretization in space. We derive stability results and a novel $L^2(0,T;L^2(\Omega))$ a priori error estimate. On the basis of the aforementioned solution technique, we propose a fully discrete scheme for our optimal control problem that discretizes the control variable with piecewise constant functions, and we derive a priori error estimates for it. We illustrate the theory with one- and two-dimensional numerical experiments.

97 MATHEMATICS AND COMPUTING↗

Mixed finite-difference scheme for analysis of simply supported thick plates.

A mixed finite-difference scheme is presented for the stress and free vibration analysis of simply supported nonhomogeneous and layered orthotropic thick plates. The analytical formulation is based on the linear, three-dimensional theory of orthotropic elasticity and a Fourier approach is used to reduce the governing equations to six first-order ordinary differential equations in the thickness coordinate. The governing equations possess a symmetric coefficient matrix and are free of derivatives of the elastic characteristics of the plate. In the finite difference discretization two interlacing grids are used for the different fundamental unknowns in such a way as to reduce both the local discretization error and the bandwidth of the resulting finite-difference field equations. Numerical studies are presented for the effects of reducing the interior and boundary discretization errors and of mesh refinement on the accuracy and convergence of solutions. It is shown that the proposed scheme, in addition to a number of other advantages, leads to highly accurate results, even when a small number of finite difference intervals is used.

Noor, A. K.↗

Simulation of gas mixture dynamics in a pipeline network using explicit staggered-grid discretization

Here we develop an explicit staggered finite difference discretization scheme for simulating the transport of highly heterogeneous gas mixtures through pipeline networks. This study is motivated by the proposed blending of hydrogen into natural gas pipelines to reduce end use carbon emissions while using existing pipeline systems throughout their planned lifetimes. Our computational method accommodates an arbitrary number of constituent gases with very different physical properties that may be injected into a network with significant spatiotemporal variation. In this setting, the gas flow physics are highly location- and time- dependent, so that local composition and nodal mixing must be accounted for. The resulting conservation laws are formulated in terms of pressure, partial densities and flows, and volumetric and mass fractions of the constituents. We include non-ideal equations of state that employ linear approximations of gas compressibility factors, so that the pressure dynamics propagate locally according to a variable wave speed that depends on mixture composition and density. We derive compatibility relationships for network edge boundary values that are more complex than for a homogeneous gas. The simulation method is evaluated on initial boundary value problems for a single pipe and a small network, is cross-validated with a lumped element simulation, and used to demonstrate a local monitoring and control policy for maintaining allowable concentration levels.

97 MATHEMATICS AND COMPUTING↗

Relaxation schemes for spectral multigrid methods

The effectiveness of relaxation schemes for solving the systems of algebraic equations which arise from spectral discretizations of elliptic equations is examined. Iterative methods are an attractive alternative to direct methods because Fourier transform techniques enable the discrete matrix-vector products to be computed almost as efficiently as for corresponding but sparse finite difference discretizations. Preconditioning is found to be essential for acceptable rates of convergence. Preconditioners based on second-order finite difference methods are used. A comparison is made of the performance of different relaxation methods on model problems with a variety of conditions specified around the boundary. The investigations show that iterations based on incomplete LU decompositions provide the most efficient methods for solving these algebraic systems.

Phillips, Timothy N.↗

Computing Edge States without Hard Truncation

We present a numerical method which accurately computes the discrete spectrum and associated bound states of semi-infinite Hamiltonians which model electronic “edge” states localized at boundaries of one- and two-dimensional crystalline materials. The problem is nontrivial since arbitrarily large finite “hard” (Dirichlet) truncations of the Hamiltonian in the infinite bulk direction tend to produce spurious bound states partially supported at the truncation. Our method, which overcomes this difficulty, is to compute the Green's function of the semi-infinite Hamiltonian by imposing an appropriate boundary condition in the bulk direction; then, the spectral data is recovered via Riesz projection. We demonstrate our method's effectiveness by studies of edge states at a graphene zig-zag edge in the presence of defects modeled both by a discrete tight-binding model and a continuum PDE model under finite difference discretization. Our method may also be used to study states localized at domain wall-type edges in one- and two-dimensional materials where the edge Hamiltonian is infinite in both directions; we demonstrate this for the case of a tight-binding model of distinct honeycomb structures joined along a zig-zag edge. Here, we expect our method to be useful for designing novel devices based on precise wave-guiding by edge states.

97 MATHEMATICS AND COMPUTING↗

Preconditioners for the spectral multigrid method

The systems of algebraic equations which arise from spectral discretizations of elliptic equations are full and direct solutions of them are rarely feasible. Iterative methods are an attractive alternative because Fourier transform techniques enable the discrete matrix-vector products to be computed with nearly the same efficiency as is possible for corresponding but sparse finite difference discretizations. For realistic Dirichlet problems preconditioning is essential for acceptable convergence rates. A brief description of Chebyshev spectral approximations and spectral multigrid methods for elliptic problems is given. A survey of preconditioners for Dirichlet problems based on second-order finite difference methods is made. New preconditioning techniques based on higher order finite differences and on the spectral matrix itself are presented. The preconditioners are analyzed in terms of their spectra and numerical examples are presented.

Phillips, T. N.↗

Preconditioners for the spectral multigrid method

The systems of algebraic equations which arise from spectral discretizations of elliptic equations are full and direct solutions of them are rarely feasible. Iterative methods are an attractive alternative because Fourier transform techniques enable the discrete matrix-vector products to be computed with nearly the same efficiency as is possible for corresponding but sparse finite difference discretizations. For realistic Dirichlet problem preconditioning is essential for acceptable convergence rates. A brief description of Chebyshev spectral approximations and spectral multigrid methods for elliptic problems is given. A survey of preconditioners for Dirichlet problems based on second-order finite difference methods is made. New preconditioning techniques based on higher order finite differences and on the spectral matrix itself are presented. The preconditioners are analyzed in terms of their spectra and numerical examples are presented.

Phillips, T. N.↗

Benchmarking of massively parallel phase-field codes for directional solidification

We present a detailed benchmark comparing two state-of-the-art phase-field implementations for simulating alloy solidification under experimentally relevant conditions. The study investigates the directional solidification of Al-3wt%Cu under high-velocity solidification conditions and SCN-0.46wt% camphor under microgravity conditions from National Aeronautics and Space Administration (NASA) DECLIC-DSI-R experiments. Both codes, one employing finite-difference discretization with uniform mesh and GPU-acceleration (GPU-PF) and the other one employing finite-element discretization with adaptive-mesh and CPU-parallelization (PRISMS-PF), solve the same quantitative phase-field formulation that incorporates an anti-trapping current for the solidification of dilute alloys. We evaluate the predictions of each code for dendritic morphology, primary spacing, and tip dynamics in both 2D and 3D, as well as their numerical convergence and computational performance. While existing benchmark problems have primarily focused on simplified or small-scale simulations, they do not reflect the computational and modeling challenges posed by employing experimentally relevant time and length scales. Our results provide a practical framework for assessing phase-field code performance as well as validating and facilitating their application in integrated computational materials engineering (ICME) workflows that require integration with realistic experimental data.

36 MATERIALS SCIENCE↗

Supercomputing of supersonic flows using upwind relaxation and MacCormack schemes

The performance of two numerical solution schemes, (1) an implicit upwind relaxation with a finite-volume discretization (Thomas and Walters, 1985) and (2) an explicit-implicit MacCormack (1981) scheme with a finite-difference discretization, is compared in two-dimensional simulations of supersonic flow past a flat plate with leading edge, a rearward-facing step, a 10-deg compression corner, a NACA 0012 airfoil at high angle of attack, and a cavity. The algebraic turbulence model, the solution methods, and the boundary conditions and SIMD coding are explained, and the results are presented in tables and graphs and characterized with reference to published experimental data. Scheme (1) is found to converge more rapidly and to give more accurate results than (2) in a wide range of problem types.

Baysal, O.↗

Algebraic Multigrid by Smoothed Aggregation for Second and Fourth Order Elliptic Problems

Multigrid methods are very efficient iterative solvers for system of algebraic equations arising from finite element and finite difference discretization of elliptic boundary value problems. The main principle of multigrid methods is to complement the local exchange of information in point-wise iterative methods by a global one utilizing several related systems, called coarse levels, with a smaller number of variables. The coarse levels are often obtained as a hierarchy of discretizations with different characteristic meshsizes, but this requires that the discretization is controlled by the iterative method. To solve linear systems produced by existing finite element software, one needs to create an artificial hierarchy of coarse problems. The principal issue is then to obtain computational complexity and approximation properties similar to those for nested meshes, using only information in the matrix of the system and as little extra information as possible. Such algebraic multigrid method that uses the system matrix only was developed by Ruge. The prolongations were based on the matrix of the system by partial solution from given values at selected coarse points. The coarse grid points were selected so that each point would be interpolated to via so-called strong connections. Our approach is based on smoothed aggregation introduced recently by Vanek. First the set of nodes is decomposed into small mutually disjoint subsets. A tentative piecewise constant interpolation (in the discrete sense) is then defined on those subsets as piecewise constant for second order problems, and piecewise linear for fourth order problems. The prolongation operator is then obtained by smoothing the output of the tentative prolongation and coarse level operators are defined variationally.

Vanek, Petr↗

Mixed finite-difference scheme for free vibration analysis of noncircular cylinders

A mixed finite-difference scheme is presented for the free-vibration analysis of simply supported closed noncircular cylindrical shells. The problem is formulated in terms of eight first-order differential equations in the circumferential coordinate which possess a symmetric coefficient matrix and are free of the derivatives of the elastic and geometric characteristics of the shell. In the finite-difference discretization, two interlacing grids are used for the different fundamental unknowns in such a way as to avoid averaging in the difference-quotient expressions used for the first derivative. The resulting finite-difference equations are symmetric. The inverse-power method is used for obtaining the eigenvalues and eigenvectors.

Noor, A. K.↗

Modeling of the WSTF frictional heating apparatus in high pressure systems

In order to develop a computer program able to model the frictional heating of metals in high pressure oxygen or nitrogen a number of additions have been made to the frictional heating model originally developed for tests in low pressure helium. These additions include: (1) a physical property package for the gases to account for departures from the ideal gas state; (2) two methods for spatial discretization (finite differences with quadratic interpolation or orthogonal collocation on finite elements) which substantially reduce the computer time required to solve the transient heat balance; (3) more efficient programs for the integration of the ordinary differential equations resulting from the discretization of the partial differential equations; and (4) two methods for determining the best-fit parameters via minimization of the mean square error (either a direct search multivariable simplex method or a modified Levenburg-Marquardt algorithm). The resulting computer program has been shown to be accurate, efficient and robust for determining the heat flux or friction coefficient vs. time at the interface of the stationary and rotating samples.

Skowlund, Christopher T.↗

Comparison of finite-difference schemes for analysis of shells of revolution

Several finite difference schemes are applied to the stress and free vibration analysis of homogeneous isotropic and layered orthotropic shells of revolution. The study is based on a form of the Sanders-Budiansky first-approximation linear shell theory modified such that the effects of shear deformation and rotary inertia are included. A Fourier approach is used in which all the shell stress resultants and displacements are expanded in a Fourier series in the circumferential direction, and the governing equations reduce to ordinary differential equations in the meridional direction. While primary attention is given to finite difference schemes used in conjunction with first order differential equation formulation, comparison is made with finite difference schemes used with other formulations. These finite difference discretization models are compared with respect to simplicity of application, convergence characteristics, and computational efficiency. Numerical studies are presented for the effects of variations in shell geometry and lamination parameters on the accuracy and convergence of the solutions obtained by the different finite difference schemes. On the basis of the present study it is shown that the mixed finite difference scheme based on the first order differential equation formulation and two interlacing grids for the different fundamental unknowns combines a number of advantages over other finite difference schemes previously reported in the literature.

Noor, A. K.↗

High-order dimensionally-split Cartesian embedded boundary method for non-dissipative schemes

Centered finite-difference schemes are commonly used for high-fidelity turbulent flow simulations in canonical configurations because of their non-dissipative property and computational efficiency. However, their use in flow simulations over complex geometries is limited by the requirements of a structured grid and a stable boundary treatment in the absence of artificial (numerical) dissipation. Cartesian embedded boundary (EB) approaches provide an efficient structured-grid framework to apply difference schemes over complex domains. However, they are often restricted to low orders of accuracy because of numerical instabilities at the embedded boundaries and the issues of small-cell problem that are difficult to address with high-order accuracy. The present work discusses a systematic approach to obtain high-order EB methods with non-dissipative centered schemes in the interior. This approach, based on satisfying the primary and secondary conservation conditions, is employed to derive EB schemes that are up to sixth-order accurate in the interior and fourth-order accurate globally for hyperbolic, parabolic as well as incompletely parabolic problems. The proposed finite-difference discretization is, by construction, dimensionally split and addresses the small-cell problem without any cell/geometry transformations, thus, highly simplifying implementation in a flow solver. Various linear and non-linear numerical tests are performed to evaluate the stability and the accuracy of the proposed EB schemes.

97 MATHEMATICS AND COMPUTING↗