Automatic Frechet differentiation for the numerical solution of boundary-value problems

A new solver for nonlinear boundary-value problems (BVPs) in Matlab is presented, based on the Chebfun software system for representing functions and operators automatically as numerical objects. The solver implements Newton's method in function space, where instead of the usual Jacobian matrices, the derivatives involved are Frechet derivatives. A major novelty of this approach is the application of automatic differentiation (AD) techniques to compute the operator-valued Frechet derivatives in the continuous context. Other novelties include the use of anonymous functions and numbering of each variable to enable a recursive, delayed evaluation of derivatives with forward mode AD. The AD techniques are applied within a new Chebfun class called chebop which allows users to set up and solve nonlinear BVPs in a few lines of code, using the "nonlinear backslash" operator (\). This framework enables one to study the behaviour of Newton's method in function space

A Robust Solution Procedure for Hyperelastic Solids with Large Boundary Deformation

Compressible Mooney-Rivlin theory has been used to model hyperelastic solids, such as rubber and porous polymers, and more recently for the modeling of soft tissues for biomedical tissues, undergoing large elastic deformations. We propose a solution procedure for Lagrangian finite element discretization of a static nonlinear compressible Mooney-Rivlin hyperelastic solid. We consider the case in which the boundary condition is a large prescribed deformation, so that mesh tangling becomes an obstacle for straightforward algorithms. Our solution procedure involves a largely geometric procedure to untangle the mesh: solution of a sequence of linear systems to obtain initial guesses for interior nodal positions for which no element is inverted. After the mesh is untangled, we take Newton iterations to converge to a mechanical equilibrium. The Newton iterations are safeguarded by a line search similar to one used in optimization. Our computational results indicate that the algorithm is up to 70 times faster than a straightforward Newton continuation procedure and is also more robust (i.e., able to tolerate much larger deformations). For a few extremely large deformations, the deformed mesh could only be computed through the use of an expensive Newton continuation method while using a tight convergence tolerance and taking very small steps.Comment: Revision of earlier version of paper. Submitted for publication in Engineering with Computers on 9 September 2010. Accepted for publication on 20 May 2011. Published online 11 June 2011. The final publication is available at http://www.springerlink.co

A global method for coupling transport with chemistry in heterogeneous porous media

Modeling reactive transport in porous media, using a local chemical equilibrium assumption, leads to a system of advection-diffusion PDE's coupled with algebraic equations. When solving this coupled system, the algebraic equations have to be solved at each grid point for each chemical species and at each time step. This leads to a coupled non-linear system. In this paper a global solution approach that enables to keep the software codes for transport and chemistry distinct is proposed. The method applies the Newton-Krylov framework to the formulation for reactive transport used in operator splitting. The method is formulated in terms of total mobile and total fixed concentrations and uses the chemical solver as a black box, as it only requires that on be able to solve chemical equilibrium problems (and compute derivatives), without having to know the solution method. An additional advantage of the Newton-Krylov method is that the Jacobian is only needed as an operator in a Jacobian matrix times vector product. The proposed method is tested on the MoMaS reactive transport benchmark.Comment: Computational Geosciences (2009) http://www.springerlink.com/content/933p55085742m203/?p=db14bb8c399b49979ba8389a3cae1b0f&pi=1

Preconditioned fully implicit PDE solvers for monument conservation

Mathematical models for the description, in a quantitative way, of the damages induced on the monuments by the action of specific pollutants are often systems of nonlinear, possibly degenerate, parabolic equations. Although some the asymptotic properties of the solutions are known, for a short window of time, one needs a numerical approximation scheme in order to have a quantitative forecast at any time of interest. In this paper a fully implicit numerical method is proposed, analyzed and numerically tested for parabolic equations of porous media type and on a systems of two PDEs that models the sulfation of marble in monuments. Due to the nonlinear nature of the underlying mathematical model, the use of a fixed point scheme is required and every step implies the solution of large, locally structured, linear systems. A special effort is devoted to the spectral analysis of the relevant matrices and to the design of appropriate iterative or multi-iterative solvers, with special attention to preconditioned Krylov methods and to multigrid procedures. Numerical experiments for the validation of the analysis complement this contribution.Comment: 26 pages, 13 figure

Residual Minimizing Model Interpolation for Parameterized Nonlinear Dynamical Systems

We present a method for approximating the solution of a parameterized, nonlinear dynamical system using an affine combination of solutions computed at other points in the input parameter space. The coefficients of the affine combination are computed with a nonlinear least squares procedure that minimizes the residual of the governing equations. The approximation properties of this residual minimizing scheme are comparable to existing reduced basis and POD-Galerkin model reduction methods, but its implementation requires only independent evaluations of the nonlinear forcing function. It is particularly appropriate when one wishes to approximate the states at a few points in time without time marching from the initial conditions. We prove some interesting characteristics of the scheme including an interpolatory property, and we present heuristics for mitigating the effects of the ill-conditioning and reducing the overall cost of the method. We apply the method to representative numerical examples from kinetics - a three state system with one parameter controlling the stiffness - and conductive heat transfer - a nonlinear parabolic PDE with a random field model for the thermal conductivity.Comment: 28 pages, 8 figures, 2 table