Computational modelling of iron-ore mineralisation with stratigraphic permeability anisotropy

This study develops a computational framework to model fluid transport in sedimentary basins, targeting iron ore deposit formation. It offers a simplified flow model, accounting for geological features and permeability anisotropy as driving factors. A new finite element method lessens computational effort, facilitating robust predictions and cost-effective exploration. This methodology, applicable to other mineral commodities, enhances understanding of genetic models, supporting the search for new mineral deposits amid the global energy transition

Implicit-explicit multistep formulations for finite element discretisations using continuous interior penalty

We consider a finite element method with symmetric stabilisation for the discretisation of the transient convection–diffusion equation. For the time-discretisation we consider either the second order backwards differentiation formula or the Crank–Nicolson method. Both the convection term and the associated stabilisation are treated explicitly using an extrapolated approximate solution. We prove stability of the method and the t2+hp+12 error estimates for the L2-norm under either the standard hyperbolic CFL condition, when piecewise affine (p=1) approximation is used, or in the case of finite element approximation of order p≥1, a stronger, so-called 4/3-CFL, i.e. t≤Ch4/3. The theory is illustrated with some numerical examples

Explicit-in-Time Variational Formulations for Goal-Oriented Adaptivity

Goal-Oriented Adaptivity (GOA) is a powerful tool to accurately approximate physically relevant features of the solution of Partial Differential Equations (PDEs). It delivers optimal grids to solve challenging engineering problems. In time dependent problems, GOA requires to represent the error in the Quantity of Interest (QoI) as an integral over the whole space-time domain in order to reduce it via adaptive refinements. A full space-time variational formulation of the problem allows the aforementioned error representation. Thus, variational spacetime formulations for PDEs have been of great interest in the last decades, among other things, because they allow to develop mesh-adaptive algorithms. Since it is known that implicit time marching schemes have variational structure, they are often employed for GOA in time-domain problems. When coming to explicit-intime methods, these were introduced for Ordinary In this dissertation, we prove that the explicit Runge-Kutta (RK) methods can be expressed as discontinuous-in-time Petrov-Galerkin (dPG) methods for the linear advection-diffusion equation. We systematically build trial and test functions that, after exact integration in time, lead to one, two, and general stage explicit RK methods. This approach enables us to reproduce the existing time domain goal-oriented adaptive algorithms using explicit methods in time. Here, we employ the lowest order dPG formulation that we propose to recover the Forward Euler method and we derive an appropriate error representation. Then, we propose an explicit-in-time goal-oriented adaptive algorithm that performs local refinements in space. In terms of time domain adaptivity, we impose the Courant-Friedrichs-Lewy (CFL) condition to ensure the stability of the method. We provide some numerical results in one-dimensional (1D)+time for the diffusion and advection-diffusion equations to show the performance of the proposed algorithm. On the other hand, time-domain adaptive algorithms involve solving a dual problem that runs backwards in time. This process is, in general, computationally expensive in terms of memory storage. In this work, we dene a pseudo-dual problem that runs forwards in time. We also describe a forward-in-time adaptive algorithm that works for some specific problems. Although it is not possible to dene a general dual problem running forwards in time that provides information about future states, we provide numerical evidence via one-dimensional problems in space to illustrate the efficiency of our algorithm as well as its limitations. As a complementary method, we propose a hybrid algorithm that employs the classical backward-in-time dual problem once and then performs the adaptive process forwards in time. We also generalize a novel error representation for goal-oriented adaptivity using (unconventional) pseudo-dual problems in the context of frequency-domain wave-propagation problems to the time-dependent wave equation. We show via 1D+time numerical results that the upper bounds for the new error representation are sharper than the classical ones. Therefore, this new error representation can be used to design more efficient goal-oriented adaptive methodologies. Finally, as classical Galerkin methods may lead to instabilities in advection-dominated-diffusion problems and therefore, inappropriate refinements, we propose a novel stabilized discretization method, which we call Isogeometric Residual Minimization (iGRM) with direction splitting. This method combines the benefits resulting from Isogeometric Analysis (IGA), residual minimization, and Alternating Direction Implicit (ADI) methods. We employ second order ADI time integrator schemes, B-spline basis functions in space and, at each time step, we solve a stabilized mixed method based on residual minimization. We show that the resulting system of linear equations has a Kronecker product structure, which results in a linear computational cost of the direct solver, even using implicit time integration schemes together with the stabilized mixed formulation. We test our method in 2D and 3D+time advection-diffusion problems. The derivation of a time-domain goal-oriented strategy based on iGRM will be considered in future works