An overview of the proper generalized decomposition with applications in computational rheology

We review the foundations and applications of the proper generalized decomposition (PGD), a powerful model reduction technique that computes a priori by means of successive enrichment a separated representation of the unknown field. The computational complexity of the PGD scales linearly with the dimension of the space wherein the model is defined, which is in marked contrast with the exponential scaling of standard grid-based methods. First introduced in the context of computational rheology by Ammar et al. [3] and [4], the PGD has since been further developed and applied in a variety of applications ranging from the solution of the Schrödinger equation of quantum mechanics to the analysis of laminate composites. In this paper, we illustrate the use of the PGD in four problem categories related to computational rheology: (i) the direct solution of the Fokker-Planck equation for complex fluids in configuration spaces of high dimension, (ii) the development of very efficient non-incremental algorithms for transient problems, (iii) the fully three-dimensional solution of problems defined in degenerate plate or shell-like domains often encountered in polymer processing or composites manufacturing, and finally (iv) the solution of multidimensional parametric models obtained by introducing various sources of problem variability as additional coordinates

The computational complexity of traditional Lattice-Boltzmann methods for incompressible fluids

It is well-known that in fluid dynamics an alternative to customary direct solution methods (based on the discretization of the fluid fields) is provided by so-called \emph{particle simulation methods}. Particle simulation methods rely typically on appropriate \emph{kinetic models} for the fluid equations which permit the evaluation of the fluid fields in terms of suitable expectation values (or \emph{momenta}) of the kinetic distribution function $f(\mathbf{r,v},t),$ being respectively $\mathbf{r}$ and\textbf{\}$\mathbf{v}$ the position an velocity of a test particle with probability density $f(\mathbf{r,v},t)$. These kinetic models can be continuous or discrete in phase space, yielding respectively \emph{continuous} or \emph{discrete kinetic models} for the fluids. However, also particle simulation methods may be biased by an undesirable computational complexity. In particular, a fundamental issue is to estimate the algorithmic complexity of numerical simulations based on traditional LBM's (Lattice-Boltzmann methods; for review see Succi, 2001 \cite{Succi}). These methods, based on a discrete kinetic approach, represent currently an interesting alternative to direct solution methods. Here we intend to prove that for incompressible fluids fluids LBM's may present a high complexity. The goal of the investigation is to present a detailed account of the origin of the various complexity sources appearing in customary LBM's. The result is relevant to establish possible strategies for improving the numerical efficiency of existing numerical methods.Comment: Contributed paper at RGD26 (Kyoto, Japan, July 2008

A machine learning approach for efficient uncertainty quantification using multiscale methods

Several multiscale methods account for sub-grid scale features using coarse scale basis functions. For example, in the Multiscale Finite Volume method the coarse scale basis functions are obtained by solving a set of local problems over dual-grid cells. We introduce a data-driven approach for the estimation of these coarse scale basis functions. Specifically, we employ a neural network predictor fitted using a set of solution samples from which it learns to generate subsequent basis functions at a lower computational cost than solving the local problems. The computational advantage of this approach is realized for uncertainty quantification tasks where a large number of realizations has to be evaluated. We attribute the ability to learn these basis functions to the modularity of the local problems and the redundancy of the permeability patches between samples. The proposed method is evaluated on elliptic problems yielding very promising results.Comment: Journal of Computational Physics (2017

Error bounds on block Gauss Seidel solutions of coupled\ud multiphysics problems

Mathematical models in many fields often consist of coupled sub–models, each of which describe a different physical process. For many applications, the quantity of interest from these models may be written as a linear functional of the solution to the governing equations. Mature numerical solution techniques for the individual sub–models often exist. Rather than derive a numerical solution technique for the full coupled model, it is therefore natural to investigate whether these techniques may be used by coupling in a block Gauss–Seidel fashion. In this study, we derive two a posteriori bounds for such linear functionals. These bounds may be used on each Gauss–Seidel iteration to estimate the error in the linear functional computed using the single physics solvers, without actually solving the full, coupled problem. We demonstrate the use of the bound first by using a model problem from linear algebra, and then a linear ordinary differential equation example. We then investigate the effectiveness of the bound using a non–linear coupled fluid–temperature problem. One of the bounds derived is very sharp for most linear functionals considered, allowing us to predict very accurately when to terminate our block Gauss–Seidel iteration.\ud \ud Copyright c 2000 John Wiley & Sons, Ltd

Hydrodynamics of Suspensions of Passive and Active Rigid Particles: A Rigid Multiblob Approach

We develop a rigid multiblob method for numerically solving the mobility problem for suspensions of passive and active rigid particles of complex shape in Stokes flow in unconfined, partially confined, and fully confined geometries. As in a number of existing methods, we discretize rigid bodies using a collection of minimally-resolved spherical blobs constrained to move as a rigid body, to arrive at a potentially large linear system of equations for the unknown Lagrange multipliers and rigid-body motions. Here we develop a block-diagonal preconditioner for this linear system and show that a standard Krylov solver converges in a modest number of iterations that is essentially independent of the number of particles. For unbounded suspensions and suspensions sedimented against a single no-slip boundary, we rely on existing analytical expressions for the Rotne-Prager tensor combined with a fast multipole method or a direct summation on a Graphical Processing Unit to obtain an simple yet efficient and scalable implementation. For fully confined domains, such as periodic suspensions or suspensions confined in slit and square channels, we extend a recently-developed rigid-body immersed boundary method to suspensions of freely-moving passive or active rigid particles at zero Reynolds number. We demonstrate that the iterative solver for the coupled fluid and rigid body equations converges in a bounded number of iterations regardless of the system size. We optimize a number of parameters in the iterative solvers and apply our method to a variety of benchmark problems to carefully assess the accuracy of the rigid multiblob approach as a function of the resolution. We also model the dynamics of colloidal particles studied in recent experiments, such as passive boomerangs in a slit channel, as well as a pair of non-Brownian active nanorods sedimented against a wall.Comment: Under revision in CAMCOS, Nov 201