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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A finite difference informed random walker (FDiRW) solver for strongly inhomogeneous diffusion problems

In nature, many complex multi-physics coupling problems exhibit strong diffusivity inhomogeneity. For instance, in the context of radionuclide absorption by porous wasteform materials within a flowing waste stream, the difference of species’ diffusivity in solid and liquid phases spans by 3~8 orders of magnitude. To solve the diffusion equations with strongly inhomogeneous diffusivity, traditional discretization-based methods, such as the Finite Difference Method (FDM), require infinitesimally small time steps (<10 -10 ) as high spatial resolutions are employed in most microstructure evolution processes, leading to prohibitively high computational costs. Here, this work developed an integrated numerical approach (FDiRW: Finite Difference informed Random Walk) to tackle this challenge. The idea is that utilizing the Random Walk concept, the fast diffusion is modeled as a superposition of point source’s solution for a concentration distribution while FDM is used to obtain the point source’s solution at each node. A mesh-coarsening algorithm is developed to generate an exclusive coarse mesh for FDiRW approach to maximize its efficiency. The effectiveness of the coarse mesh-based FDiRW approach is validated by benchmarking Finite Difference solutions. Numerical results demonstrated that FDiRW achieves a remarkable 1000x computational efficiency improvement over FDM while preserving desired accuracy for a medium-sized model of 192 × 192 × 192 grids. Finally, as models scale up, a floating-point operations (PLOPs) analysis of the FDiRW algorithm reveals that its computational complexity grows quadratically in terms of the number of nodes employed in computation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Identification of the Diffusion Parameter in Nonlocal Steady Diffusion Problems

The problem of identifying the diffusion parameter appearing in a nonlocal steady diffusion equation is considered. The identification problem is formulated as an optimal control problem having a matching functional as the objective of the control and the parameter function as the control variable. The analysis makes use of a nonlocal vector calculus that allows one to define a variational formulation of the nonlocal problem. In a manner analogous to the local partial differential equations counterpart, we demonstrate, for certain kernel functions, the existence of at least one optimal solution in the space of admissible parameters. We introduce a Galerkin finite element discretization of the optimal control problem and derive a priori error estimates for the approximate state and control variables. Using one-dimensional numerical experiments, we illustrate the theoretical results and show that by using nonlocal models it is possible to estimate non-smooth and discontinuous diffusion parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A sub-pore model for multi-scale reaction–diffusion problems in porous media

Applications of reaction–diffusion systems in porous media pose a challenging problem for computational modeling approaches due to their multi-physics and multi-scale nature. The length scales usually span 3–4 orders of magnitude while physical phenomena involved include heat and mass transfer processes, and surface reactions. In this paper, a novel methodology that accounts for all the length scales and physical phenomena involved in a single framework is described. A length scale based dual approach is proposed – the larger pore channels (macro-pores) are resolved using conventional numerical techniques and a novel ‘sub-pore’ model is used to account for the unresolved pore channels (sub-pores) and the important physics therein. The porous network in the sub-pore system is composed of a fractal-like hierarchical system of straight cylindrical pores. Simplified governing equations for mass and energy transport are solved within the sub-pore system along with a reaction kinetics model to account for surface adsorption. An implicit coupling strategy is used to couple the macro-pore and the sub-pore systems so as to ensure conservation. The developed methodology is then applied to a few test cases and it is established that the proposed framework is necessary for problems where the adsorption time scale is much smaller than (diffusion-limited) or comparable to the diffusion time scale. Furthermore, it is also demonstrated that the framework can be potentially used to model the network of porous channels in its entirety thus significantly reducing computational costs.

36 MATERIALS SCIENCE↗
NASA NTRS1978

An integral solution to a nonlinear diffusion problem

The generalized Galerkin method (or the method of integral relations) is applied to the type of problem described by quasilinear parabolic equations. As an example the problem of nonlinear transient slab diffusion with a general reservoir boundary condition is worked out. The integral relations are given for an arbitrary number of strips, and solutions using up to seven strips have been obtained in order to investigate the convergence of the method.

Hussaini, M. Y.↗
DOE OSTI2024

Constrained Local Approximate Ideal Restriction for Advection-Diffusion Problems

Herein this paper focuses on developing a reduction-based algebraic multigrid (AMG) method that is suitable for solving general (non)symmetric linear systems and is naturally robust from pure advection to pure diffusion. Initial motivation comes from a new reduction-based AMG approach, $\ell \text{AIR}$ (local approximate ideal restriction), that was developed for solving advection-dominated problems. Though this new solver is very effective in the advection-dominated regime, its performance degrades in cases where diffusion becomes dominant. This is consistent with the fact that in general, reduction-based AMG methods tend to suffer from growth in complexity and/or convergence rates as the problem size is increased, especially for diffusion-dominated problems in two or three dimensions. Motivated by the success of $\ell \text{AIR}$ in the advective regime, our aim in this paper is to generalize the AIR framework with the goal of improving the performance of the solver in diffusion-dominated regimes. To do so, we propose a novel way to combine mode constraints as used commonly in energy-minimization AMG methods with the local approximation of ideal operators used in $\ell \text{AIR}$. The resulting constrained $\ell \text{AIR}$ algorithm is able to achieve fast scalable convergence on advective and diffusive problems. In addition, it is able to achieve standard low complexity hierarchies in the diffusive regime through aggressive coarsening, something that was previously difficult for reduction-based methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Multilevel Preconditioners for Reaction-Diffusion Problems with Discontinuous Coefficients

In this study, we extend some of the multilevel convergence results obtained by Xu and Zhu, to the case of second order linear reaction-diffusion equations. Specifically, we consider the multilevel preconditioners for solving the linear systems arising from the linear finite element approximation of the problem, where both diffusion and reaction coefficients are piecewise-constant functions. We discuss in detail the influence of both the discontinuous reaction and diffusion coefficients to the performance of the classical BPX and multigrid V-cycle preconditioner.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Nonlocal Convection-Diffusion Problems on Bounded Domains and Finite-Range Jump Processes

In this paper, a nonlocal convection-diffusion model is introduced for the master equation of Markov jump processes in bounded domains. With minimal assumptions on the model parameters, the nonlocal steady and unsteady state master equations are shown to be well-posed in a weak sense. Finally, then the nonlocal operator is shown to be the generator of finite-range nonsymmetric jump processes and, when certain conditions on the model parameters hold, the generators of finite and infinite activity Lévy and Lévy-type jump processes are shown to be special instances of the nonlocal operator.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Application of the space-time conservation element and solution element method to two-dimensional advection-diffusion problems

The existing 2-D alpha-mu scheme and alpha-epsilon scheme based on the method of space-time conservation element and solution element, which were constructed for solving the linear 2-D unsteady advection-diffusion equation and unsteady advection equation, respectively, are tested. Also, the alpha-epsilon scheme is modified to become the V-E scheme for solving the nonlinear 2-D inviscid Burgers equation. Numerical solutions of six test problems are presented in comparison with their exact solutions or numerical solutions obtained by traditional finite-difference or finite-element methods. It is demonstrated that the 2-D alpha-mu, alpha-epsilon, and nu-epsilon schemes can be used to obtain numerical results which are more accurate than those based on some of the traditional methods but without using any artificial tuning in the computation. Similar to the previous 1-D test problems, the high accuracy and simplicity features of the space-time conservation element and solution element method have been revealed again in the present 2-D test results.

Wang, Xiao-Yen↗
NASA NTRS1999

Application of the Space-Time Conservation Element and Solution Element Method to One-Dimensional Advection-Diffusion Problems

Test problems are used to examine the performance of several one-dimensional numerical schemes based on the space-time conservation and solution element (CE/SE) method. Investigated in this paper are the CE/SE schemes constructed previously for solving the linear unsteady advection-diffusion equation and the schemes derived here for solving the nonlinear viscous and inviscid Burgers equations. In comparison with the numerical solutions obtained using several traditional finite-difference schemes with similar accuracy, the CE/SE solutions display much lower numerical dissipation and dispersion errors.

Wang, Xiao-Yen↗
NASA NTRS1956

Extrapolation techniques applied to matrix methods in neutron diffusion problems

A general matrix method is developed for the solution of characteristic-value problems of the type arising in many physical applications. The scheme employed is essentially that of Gauss and Seidel with appropriate modifications needed to make it applicable to characteristic-value problems. An iterative procedure produces a sequence of estimates to the answer; and extrapolation techniques, based upon previous behavior of iterants, are utilized in speeding convergence. Theoretically sound limits are placed on the magnitude of the extrapolation that may be tolerated. This matrix method is applied to the problem of finding criticality and neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron-diffusion equations is treated. Results for this example are indicated.

Mccready, Robert R↗
DOE OSTI2023

Control of Fractional Diffusion Problems via Dynamic Programming Equations

In this study, we explore the approximation of feedback control of integro-differential equations containing a fractional Laplacian term. To obtain feedback control for the state variable of this nonlocal equation, we use the Hamilton–Jacobi–Bellman equation. It is well known that this approach suffers from the curse of dimensionality, and to mitigate this problem we couple semi-Lagrangian schemes for the discretization of the dynamic programming principle with the use of Shepard approximation. This coupling enables approximation of high-dimensional problems. Numerical convergence toward the solution of the continuous problem is provided together with linear and nonlinear examples. The robustness of the method with respect to disturbances of the system is illustrated by comparisons with an open-loop control approach.

97 MATHEMATICS AND COMPUTING↗