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We propose a method for reducing the spatial discretization error of coarse computational fluid dynamics (CFD) problems by enhancing the quality of low-resolution simulations using a deep learning model fed with high-quality data. We substitute the default differencing scheme for the convection term by a feed-forward neural network that interpolates velocities from cell centers to face values to produce velocities that approximate the fine-mesh data well. The deep learning framework incorporates the open-source CFD code OpenFOAM, resulting in an end-to-end differentiable model. We automatically differentiate the CFD physics using a discrete adjoint code version. We present a fast communication method between TensorFlow (Python) and OpenFOAM (c++) that accelerates the training process. We applied the model to the flow past a square cylinder problem, reducing the error to about 50% for simulations outside the training distribution compared to the traditional solver in the x- and y-velocity components using an 8x coarser mesh. The training is affordable in terms of time and data samples since the architecture exploits the local features of the physics while generating stable predictions for mid-term simulations.

The recently proposed soft finite element method (SoftFEM) reduces the stiffness (condition numbers), consequently improving the overall approximation accuracy. The method subtracts a least-square term that penalizes the gradient jumps across mesh interfaces from the FEM stiffness bilinear form while maintaining the system's coercivity. Herein, we present two generalizations for SoftFEM that aim to improve the approximation accuracy and further reduce the discrete systems' stiffness. Firstly and most naturally, we generalize SoftFEM by adding a least-square term to the mass bilinear form. Superconvergent results of rates $h^6$ and $h^8$ for eigenvalues are established for linear uniform elements; $h^8$ is the highest order of convergence known in the literature. Secondly, we generalize SoftFEM by applying the blended Gaussian-type quadratures. We demonstrate further reductions in stiffness compared to traditional FEM and SoftFEM. The coercivity and analysis of the optimal error convergences follow the work of SoftFEM. Thus, this paper focuses on the numerical study of these generalizations. For linear and uniform elements, analytical eigenpairs, exact eigenvalue errors, and superconvergent error analysis are established. Various numerical examples demonstrate the potential of generalized SoftFEMs for spectral approximation, particularly in high-frequency regimes.

The Deep Fourier Residual (DFR) method is a specific type of variational physics-informed neural networks (VPINNs). It provides a robust neural network-based solution to partial differential equations (PDEs). The DFR strategy is based on approximating the dual norm of the weak residual of a PDE. This is equivalent to minimizing the energy norm of the error. To compute the dual of the weak residual norm, the DFR method employs an orthonormal spectral basis of the test space, which is known for rectangles or cuboids for multiple function spaces. In this work, we extend the DFR method with ideas of traditional domain decomposition (DD). This enables two improvements: (a) to solve problems in more general polygonal domains, and (b) to develop an adaptive refinement technique in the test space using a Dofler marking algorithm. In the former case, we show that under non-restrictive assumptions we retain the desirable equivalence between the employed loss function and the H1-error, numerically demonstrating adherence to explicit bounds in the case of the L-shaped domain problem. In the latter, we show how refinement strategies lead to potentially significant improvements against a reference, classical DFR implementation with a test function space of significantly lower dimensionality, allowing us to better approximate singular solutions at a more reasonable computational cost.

Laboratory measurements on Vaca Muerta formation samples show stress-dependent elastic behavior and compaction at representative in-situ conditions. Experimental results show that the analyzed samples exhibit elasto-plastic deformation and shear-enhanced compaction as the main plasticity mechanism. These experimental observations conflict with the anticipated linear-elastic response prior to the brittle failure reported in several works on the geomechanical characterization of the Vaca Muerta formation. Therefore, we present a complete laboratory analysis of samples from the Vaca Muerta formation showing experimental evidence of nonlinear elastic and unrecoverable shear-enhanced compaction. We also calibrate an elastoplastic constitutive model using these experimental observations; the resulting model reproduces the observed phenomena adequately.

This paper interprets the stabilized finite element method via residual minimization as a variational multiscale method. We approximate the solution to the partial differential equations using two discrete spaces that we build on a triangulation of the domain; we denote these spaces as coarse and enriched spaces. Building on the adaptive stabilized finite element method via residual minimization, we find a coarse-scale approximation in a continuous space by minimizing the residual on a dual discontinuous Galerkin norm; this process allows us to compute a robust error estimate to construct an on-the-fly adaptive method. We reinterpret the residual projection using the variational multiscale framework to derive a fine-scale approximation. As a result, on each mesh of the adaptive process, we obtain stable coarse- and fine-scale solutions derived from a symmetric saddle-point formulation and an a-posteriori error indicator to guide automatic adaptivity. We test our framework in several challenging scenarios for linear and nonlinear convection-dominated diffusion problems to demonstrate the framework's performance in providing stability in the solution with optimal convergence rates in the asymptotic regime and robust performance in the pre-asymptotic regime. Lastly, we introduce a heuristic dual-term contribution in the variational form to improve the full-scale approximation for symmetric formulations (e.g., diffusion problem).

Isoporous membranes made from diblock copolymers have numerous applications, including water treatment and protein separation, and are successfully produced at a laboratory scale under controlled conditions. However, achieving optimal conditions for membrane preparation remains a challenge due to the complexity of the involved phenomena. Experimental studies have shown that the self-assembly of block copolymers in solution significantly affects the final membrane structure. Despite extensive research, understanding the multiscale phenomena leading to the characteristic morphology is still elusive. We address this gap by using mesoscale computational simulations to investigate the self-assembly of block copolymers in selective solvents, consistent with isoporous membrane preparation. We focus on the interplay between entropic and enthalpic interactions and their effects on the morphology of the micellar aggregates in solution. Our computational results are consistent with experimental evidence, revealing a morphological transition of the aggregates as the polymer concentration and solvent affinity change. We propose different phase parameters to characterize the emergence of monodisperse-spherical micelles in solution and describe the order of crew-cut micelles using a rigid-sphere approximation. Our study provides valuable insights into the self-assembly of diblock copolymers to optimize the preparation of isoporous membranes.

The Adaptive Stabilized Finite Element method (AS-FEM) developed in Calo et. al. combines the idea of the residual minimization method with the inf-sup stability offered by the discontinuous Galerkin (dG) frameworks. As a result, the discretizations deliver stabilized approximations and residual representatives in the dG space that can drive automatic adaptivity. We generalize AS FEM by considering continuous test spaces; thus, we propose a residual minimization method on a stable Continuous Interior Penalty (CIP) formulation that considers a C0-conforming trial FEM space and a test space based on the enrichment of the trial space by bubble functions. In our numerical experiments, the test space choice results in a significant reduction of the total degrees of freedom compared to the dG test spaces of Calo et. al. that converge at the same rate. Moreover, as trial and test spaces are C0-conforming, implementing a full dG data structure is unnecessary, simplifying the method's implementation considerably and making it appealing for industrial applications, see Labanda et. al.

We perform phase-field simulations of the electrodeposition process that forms dendrites within metal-anode batteries including anisotropic representation. We describe the evolution of a phase field, the lithium-ion concentration, and an electric potential, during a battery charge cycle, solving equations using time-marching algorithms with automatic time-step adjustment and implemented on an open-source finite element library. A modified lithium crystal surface anisotropy representation for phase-field electrodeposition model is proposed and evaluated through different numerical tests, exhibiting low sensitivity to the numerical parameters. Change of dendritic morphological behaviour is captured by a variation of the simulated inter-electrode distance. A set of simulations are presented to validate the proposed formulation, showing their agreement with experimentally-observed lithium dendrite growth rates, and morphologies reported in the literature., Comment: Under Review

We extend the softFEM idea to isogeometric analysis (IGA) to reduce the stiffness (consequently, the condition numbers) of the IGA discretized problem. We refer to the resulting approximation technique as softIGA. We obtain the resulting discretization by first removing the IGA spectral outliers to reduce the system's stiffness. We then add high-order derivative-jump penalization terms (with negative penalty parameters) to the standard IGA bilinear forms. The penalty parameter seeks to minimize spectral/dispersion errors while maintaining the coercivity of the bilinear form. We establish dispersion errors for both outlier-free IGA (OF-IGA) and softIGA elements. We also derive analytical eigenpairs for the resulting matrix eigenvalue problems and show that the stiffness and condition numbers of the IGA systems significantly improve (reduce). We prove a superconvergent result of order $h^{2p+4}$ for eigenvalues where $h$ characterizes the mesh size and $p$ specifies the order of the B-spline basis functions. To illustrate the main idea and derive the analytical results, we focus on uniform meshes in 1D and tensor-product meshes in multiple dimensions. For the eigenfunctions, softIGA delivers the same optimal convergence rates as the standard IGA approximation. Various numerical examples demonstrate the advantages of softIGA over IGA.

We describe a phase-field model for the electrodeposition process that forms dendrites within metal-anode batteries. We derive the free energy functional model, arriving at a system of partial differential equations that describe the evolution of a phase field, the lithium-ion concentration, and an electric potential. We formulate, discretize, and solve the set of partial differential equations describing the coupled electrochemical interactions during a battery charge cycle using an open-source finite element library. The open-source library allows us to use parallel solvers and time-marching adaptivity. We describe two- and three-dimensional simulations; these simulations agree with experimentally-observed dendrite growth rates and morphologies reported in the literature., Comment: Under Review

Explicit time-marching schemes are popular for solving time-dependent partial differential equations; one of the biggest challenges these methods suffer is increasing the critical time-marching step size that guarantees numerical stability. In general, there are two ways to increase the critical step size. One is to reduce the stiffness of the spatially discretized system, while the other is to design time-marching schemes with larger stability regions. In this paper, we focus on the recently proposed explicit generalized-$\alpha$ method for second-order hyperbolic equations and increase the critical step size by reducing the stiffness of the isogeometric-discretized system. In particular, we apply boundary penalization to lessen the system's stiffness. For $p$-th order $C^{p-1}$ isogeometric elements, we show numerically that the critical step size increases by a factor of $\sqrt{\frac{p^2-3p+6}{4}}$, which indicates the advantages of using the proposed method, especially for high-order elements. Various examples in one, two, and three dimensions validate the performance of the proposed technique.

Compaction bands play a key role in the deformation processes of porous rocks and explain different aspects of physical processes in geological formations. The state-of-the-art description of the localized strains that lead to compaction banding has limitations from the mechanical point of view. Thus, we describe the phenomenon using a consistent axiomatic formulation. We build a viscoplastic model using minimal assumptions; we base our model on six principles to study compaction band localization triggered by viscous effects. We analyze different stress states to determine the conditions that trigger compaction bands. Laboratory experiments show that a material undergoes different localizations depending on the confinement pressure; thus, we perform a series of numerical experiments that reproduce these phenomena under varying triaxial compression conditions. These simulations use a simple viscoplastic constitutive model for creep based on Perzyna's viscoplasticity and show how confinement changes the localization type for different triaxial tests. Our analysis allows us to describe this transition, band periodicity and spacing, and their dependence on the material parameters., Comment: Under Review

Certain applications that analyze damping effects require the solution of quadratic eigenvalue problems (QEPs). We use refined isogeometric analysis (rIGA) to solve quadratic eigenproblems. rIGA discretization, while conserving desirable properties of maximum-continuity isogeometric analysis (IGA), reduces the interconnection between degrees of freedom by adding low-continuity basis functions. This connectivity reduction in rIGA's algebraic system results in faster matrix LU factorizations when using multifrontal direct solvers. We compare computational costs of rIGA versus those of IGA when employing Krylov eigensolvers to solve quadratic eigenproblems arising in 2D vector-valued multifield problems. For large problem sizes, the eigencomputation cost is governed by the cost of LU factorization, followed by costs of several matrix-vector and vector-vector multiplications, which correspond to Krylov projections. We minimize the computational cost by introducing C^0 and C^1 separators at specific element interfaces for our rIGA generalizations of the curl-conforming Nedelec and divergence-conforming Raviart-Thomas finite elements. Let p be the polynomial degree of basis functions; the LU factorization is up to O((p-1)^2) times faster when using rIGA compared to IGA in the asymptotic regime. Thus, rIGA theoretically improves the total eigencomputation cost by O((p-1)^2) for sufficiently large problem sizes. Yet, in practical cases of moderate-size eigenproblems, the improvement rate deteriorates as the number of computed eigenvalues increases because of multiple matrix-vector and vector-vector operations. Our numerical tests show that rIGA accelerates the solution of quadratic eigensystems by O(p-1) for moderately sized problems when we seek to compute a reasonable number of eigenvalues.

The direct numerical simulation of metal additive manufacturing processes such as laser powder bed fusion is challenging due to the vast differences in spatial and temporal scales. Classical approaches based on locally refined finite elements combined with time-stepping schemes can only address the spatial multi-scale nature and provide only limited scaling potential for massively parallel computations. We address these shortcomings in a space-time Galerkin framework where the finite element interpolation also includes the temporal direction. In this setting, we construct four-dimensional meshes that are locally refined towards the laser spot and allow for varying temporal accuracy depending on the position in space. By splitting the mesh into conforming time slabs, we recover a stepwise solution to solve the space-time problem locally in time at this slab; additionally, we can choose time-slab sizes significantly larger than classical time-stepping schemes. As a result, we believe this setting to be well suited for large-scale parallelization. In our work, we use a continuous Galerkin-Petrov formulation of the nonlinear heat equation with an apparent heat capacity model to account for the phase change. We validate our approach by computing the AMB2018-02 benchmark, where we obtain an excellent agreement with the measured melt pool shape. Using the same setup, we demonstrate the performance potential of our approach by hatching a square area with a laser path length of about one meter.

We propose a time-adaptive predictor/multi-corrector method to solve hyperbolic partial differential equations, based on the generalized-$\alpha$ scheme that provides user-control on the numerical dissipation and second-order accuracy in time. Our time adaptivity uses an error estimation that exploits the recursive structure of the variable updates. The predictor/multicorrector method explicitly updates the equation system but computes the residual of the system implicitly. We analyze the method's stability and describe how to determine the parameters that ensure high-frequency dissipation and accurate low-frequency approximation. Subsequently, we solve a linear wave equation, followed by non-linear finite strain deformation problems with different boundary conditions. Thus, our method is a straightforward, stable and computationally efficient approach to simulate real-world engineering problems. Finally, to show the performance of our method, we provide several numerical examples in two and three dimensions. These challenging tests demonstrate that our predictor/multicorrector scheme dynamically adapts to sudden energy releases in the system, capturing impacts and boundary shocks. The method efficiently and stably solves dynamic equations with consistent and under-integrated mass matrices conserving the linear and angular momenta as well as the system's energy for long-integration times., Comment: Journal of Computational Physics (accepted)

We present an energy-preserving mechanic formulation for dynamic quasi-brittle fracture in an Eulerian-Lagrangian formulation, where a second-order phase-field equation controls the damage evolution. The numerical formulation adapts in space and time to bound the errors, solving the mesh-bias issues these models typically suffer. The time-step adaptivity estimates the temporal truncation error of the partial differential equation that governs the solid equilibrium. The second-order generalized-$\alpha$ time-marching scheme evolves the dynamic system. We estimate the temporal error by extrapolating a first-order approximation of the present time-step solution using previous ones with backward difference formulas; the estimate compares the extrapolation with the time-marching solution. We use an adaptive scheme built on a residual minimization formulation in space. We estimate the spatial error by enriching the discretization with elemental bubbles; then, we localize an error indicator norm to guide the mesh refinement as the fracture propagates. The combined space and time adaptivity allows us to use low-order linear elements in problems involving complex stress paths. We efficiently and robustly use low-order spatial discretizations while avoiding mesh bias in structured and unstructured meshes. We demonstrate the method's efficiency with numerical experiments that feature dynamic crack branching, where the capacity of the adaptive space-time scheme is apparent. The adaptive method delivers accurate and reproducible crack paths on meshes with fewer elements., Comment: Preprint

We present an efficient algorithmic framework for constructing multi-level hp-bases that uses a data-oriented approach that easily extends to any number of dimensions and provides a natural framework for performance-optimized implementations. We only operate on the bounding faces of finite elements without considering their lower-dimensional topological features and demonstrate the potential of the presented methods using a newly written open-source library. First, we analyze a Fichera corner and show that the framework does not increase runtime and memory consumption when compared against the classical p-version of the finite element method. Then, we compute a transient example with dynamic refinement and derefinement, where we also obtain the expected convergence rates and excellent performance in computing time and memory usage.

We propose a new family of high-order explicit generalized-$\alpha$ methods for hyperbolic problems with the feature of dissipation control. Our approach delivers $2k,\, \left(k \in \mathbb{N}\right)$ accuracy order in time by solving $k$ matrix systems explicitly and updating the other $2k$ variables at each time-step. The user can control the numerical dissipation in the discrete spectrum's high-frequency regions by adjusting the method's coefficients. We study the method's spectrum behaviour and show that the CFL condition is independent of the accuracy order. The stability region remains invariant while we increase the accuracy order. Next, we exploit efficient preconditioners for the isogeometric matrix to minimize the computational cost. These preconditioners use a diagonal-scaled Kronecker product of univariate parametric mass matrices; they have a robust performance with respect to the spline degree and the mesh size, and their decomposition structure implies that their application is faster than a matrix-vector product involving the fully-assembled mass matrix. Our high-order schemes require simple modifications of the available implementations of the generalized-$\alpha$ method. Finally, we present numerical examples demonstrating the methodology's performance regarding single- and multi-patch IGA discretizations.

It is well-known that outliers appear in the high-frequency region in the approximate spectrum of isogeometric analysis of the second-order elliptic operator. Recently, the outliers have been eliminated by a boundary penalty technique. The essential idea is to impose extra conditions arising from the differential equation at the domain boundary. In this paper, we extend the idea to remove outliers in the superconvergent approximate spectrum of isogeometric analysis with optimally-blended quadrature rules. We show numerically that the eigenvalue errors are of superconvergence rate $h^{2p+2}$ and the overall spectrum is outlier-free. The condition number and stiffness of the resulting algebraic system are reduced significantly. Various numerical examples demonstrate the performance of the proposed method.

We propose a new class of high-order time-marching schemes with dissipation user-control and unconditional stability for parabolic equations. High-order time integrators can deliver the optimal performance of highly-accurate and robust spatial discretizations such as isogeometric analysis. The generalized-$\alpha$ method delivers unconditional stability and second-order accuracy in time and controls the numerical dissipation in the discrete spectrum's high-frequency region. Our goal is to extend the generalized-$alpha$ methodology to obtain a high-order time marching methods with high accuracy and dissipation in the discrete high-frequency range. Furthermore, we maintain the stability region of the original, second-order generalized-$alpha$ method foe the new higher-order methods. That is, we increase the accuracy of the generalized-$\alpha$ method while keeping the unconditional stability and user-control features on the high-frequency numerical dissipation. The methodology solve $k>1, k\in \mathbb{N}$ matrix problems and updates the system unknowns, which correspond to higher-order terms in Taylor expansions to obtain $(3/2k)^{th}$-order method for even $k$ and $(3/2k+1/2)^{th}$-order for odd $k$. A single parameter $\rho^\infty$ controls the dissipation, and the update procedure follows the formulation of the original second-order method. Additionally, we show that our method is A-stable and setting $\rho^\infty=0$ allows us to obtain an L-stable method. Lastly, we extend this strategy to analyze the accuracy order of a generic method.

Recent studies on metamorphic petrology as well as microstructural observations suggest the influence of mechanical effects upon chemically active metamorphic minerals. Thus, the understanding of such a coupling is crucial to describe the dynamics of geomaterials. In this effort, we derive a thermodynamically-consistent framework to characterize the evolution of chemically active minerals. We model the metamorphic mineral assemblages as a solid-species solution where the species mass transport and chemical reaction drive the stress generation process. The theoretical foundations of the framework rely on modern continuum mechanics, thermodynamics far from equilibrium, and the phase-field model. We treat the mineral solid solution as a continuum body, and following the Larch\'e and Cahn network model, we define displacement and strain fields. Consequently, we obtain a set of coupled chemo-mechanical equations. We use the aforementioned framework to study single minerals as solid solutions during metamorphism. Furthermore, we emphasise the use of the phase-field framework as a promising tool to model complex multi-physics processes in geoscience. Without loss of generality, we use common physical and chemical parameters found in the geoscience literature to portrait a comprehensive view of the underlying physics. Thereby, we carry out 2D and 3D numerical simulations using material parameters for metamorphic minerals to showcase and verify the chemo-mechanical interactions of mineral solid solutions that undergo spinodal decomposition, chemical reactions, and deformation.

At high temperature and pressure, solid diffusion and chemical reactions between rock minerals lead to phase transformations. Chemical transport during uphill diffusion causes phase separation, that is, spinodal decomposition. Thus, to describe the coarsening kinetics of the exsolution microstructure, we derive a thermodynamically consistent continuum theory for the multicomponent Cahn--Hilliard equations while accounting for multiple chemical reactions and neglecting deformations. Our approach considers multiple balances of microforces augmented by multiple constituent content balance equations within an extended Larch\'e--Cahn framework. As for the Larch\'e--Cahn framework, we incorporate into the theory the Larch\'e--Cahn derivatives with respect to the phase fields and their gradients. We also explain the implications of the resulting constrained gradients of the phase fields in the form of the gradient energy coefficients. Moreover, we derive a configurational balance that includes all the associated configurational fields in agreement with the Larch\'e--Cahn framework. We study phase separation in a three-component system whose microstructural evolution depends upon the reaction-diffusion interactions and to analyze the underlying configurational fields. This simulation portrays the interleaving between the reaction and diffusion processes and how the configurational tractions drive the motion of interfaces.

In this paper, we describe a stable finite element formulation for advection-diffusion-reaction problems that allows for robust automatic adaptive strategies to be easily implemented. We consider locally vanishing, heterogeneous, and anisotropic diffusivities, as well as advection-dominated diffusion problems. The general stabilized finite element framework was described and analyzed in arXiv:1907.12605v3 for linear problems in general, and tested for pure advection problems. The method seeks for the discrete solution through a residual minimization process on a proper stable discontinuous Galerkin (dG) dual norm. This technique leads to a saddle-point problem that delivers a stable discrete solution and a robust error estimate that can drive mesh adaptivity. In this work, we demonstrate the efficiency of the method in extreme scenarios, delivering stable solutions. The quality and performance of the solutions are comparable to classical discontinuous Galerkin formulations in the respective discrete space norm on each mesh. Meanwhile, this technique allows us to solve on coarse meshes and adapt the solution to achieve a user-specified solution quality.

We model incompressible flows with an adaptive stabilized finite element method Stokes flows, which solves a discretely stable saddle-point problem to approximate the velocity-pressure pair. Additionally, this saddle-point problem delivers a robust error estimator to guide mesh adaptivity. We analyze the accuracy of different discrete velocity-pressure pairs of continuous finite element spaces, which do not necessarily satisfy the discrete inf-sup condition. We validate the framework's performance with numerical examples.

We introduce a boundary penalization technique to improve the spectral approximation of isogeometric analysis (IGA). The technique removes the outliers appearing in the high-frequency region of the approximate spectrum when using the $C^{p-1}, p$-th ($p\ge3$) order isogeometric elements. We focus on the classical Laplacian (Dirichlet) eigenvalue problem in 1D to illustrate the idea and then use the tensor-product structure to generate the stiffness and mass matrices for multiple dimensional problems. To remove the outliers, we penalize the product of the higher-order derivatives from both the solution and test spaces at the domain boundary. Intuitively, we construct a better approximation by weakly imposing features of the exact solution. Effectively, we add terms to the variational formulation at the boundaries with minimal extra computational cost. We then generalize the idea to remove the outliers for the isogeometric analysis to the Neumann eigenvalue problem (for $p\ge2$). The boundary penalization does not change the test and solution spaces. In the limiting case when the penalty goes to infinity, we perform the dispersion analysis of $C^2$ cubic elements for Dirichlet eigenvalue problem and $C^1$ quadratic elements for Neumann eigenvalue problem. We obtain the analytical eigenpairs for the resulting matrix eigenvalue problems. Numerical experiments show optimal convergence rates for the eigenvalues and eigenfunctions of the discrete operator., Comment: 30 pages

We use the refined isogeometric analysis (rIGA) to solve generalized Hermitian eigenproblems $({Ku=\lambda Mu})$. The rIGA framework conserves the desirable properties of maximum-continuity isogeometric analysis (IGA) discretizations while reducing the computation cost of the solution through partitioning the computational domain by adding zero-continuity basis functions. As a result, rIGA enriches the approximation space and decreases the interconnection between degrees of freedom. We compare computational costs of rIGA versus those of IGA when employing a Lanczos eigensolver with a shift-and-invert spectral transformation. When all eigenpairs within a given interval ${[\lambda_s,\lambda_e]}$ are of interest, we select several shifts ${\sigma_k\in[\lambda_s,\lambda_e]}$ using a spectrum slicing technique. For each shift $\sigma_k$, the cost of factorization of the spectral transformation matrix ${K-\sigma_k M}$ drives the total computational cost of the eigensolution. Several multiplications of the operator matrices ${(K-\sigma_k M)^{-1} M}$ by vectors follow this factorization. Let $p$ be the polynomial degree of basis functions and assume that IGA has maximum continuity of ${p-1}$, while rIGA introduces $C^0$ separators to minimize the factorization cost. For this setup, our theoretical estimates predict computational savings to compute a fixed number of eigenpairs of up to ${O(p^2)}$ in the asymptotic regime, that is, large problem sizes. Yet, our numerical tests show that for moderately-sized eigenproblems, the total computational cost reduction is $O(p)$. Nevertheless, rIGA improves the accuracy of every eigenpair of the first $N_0$ eigenvalues and eigenfunctions. Here, we allow $N_0$ to be as large as the total number of eigenmodes of the original maximum-continuity IGA discretization.

We present a fully-coupled, implicit-in-time framework for solving a thermodynamically-consistent Cahn-Hilliard Navier-Stokes system that models two-phase flows. In this work, we extend the block iterative method presented in Khanwale et al. [\textit{Simulating two-phase flows with thermodynamically consistent energy stable Cahn-Hilliard Navier-Stokes equations on parallel adaptive octree based meshes}, J. Comput. Phys. (2020)], to a fully-coupled, provably second-order accurate scheme in time, while maintaining energy-stability. The new method requires fewer matrix assemblies in each Newton iteration resulting in faster solution time. The method is based on a fully-implicit Crank-Nicolson scheme in time and a pressure stabilization for an equal order Galerkin formulation. That is, we use a conforming continuous Galerkin (cG) finite element method in space equipped with a residual-based variational multiscale (RBVMS) procedure to stabilize the pressure. We deploy this approach on a massively parallel numerical implementation using parallel octree-based adaptive meshes. We present comprehensive numerical experiments showing detailed comparisons with results from the literature for canonical cases, including the single bubble rise, Rayleigh-Taylor instability, and lid-driven cavity flow problems. We analyze in detail the scaling of our numerical implementation., Comment: 55 pages, 18 figures, 3 tables, version accepted in Computer Physics Communications

Under compressive creep, visco-plastic solids experiencing internal mass transfer processes have been recently proposed to accommodate singular cnoidal wave solutions, as material instabilities at the stationary wave limit. These instabilities appear when the loading rate is significantly faster than the capability of the material to diffuse internal perturbations and lead to localized failure features (e.g., cracks and compaction bands). This type of solution, generally found in fluids, has strong nonlinearities and periodic patterns. Due to the singular nature of the solutions, the applicability of the theory is currently limited. Additionally, effective numerical tools require proper regularization to overcome the challenges that singularity induces. We focus on the numerical treatment of the governing equation using a nonlinear approach building on a recent adaptive stabilized finite element method. This method provides a residual representation to drive adaptive mesh refinement, a particularly useful feature for the problem at hand. We compare against analytical and standard finite element solutions to demonstrate the performance of our approach. We then investigate the sensitivity of the diffusivity ratio, main parameter of the problem, and identify multiple possible solutions, with multiple stress peaks. Finally, we show the evolution of the spacing between peaks for all solutions as a function of that parameter.

We devise a stabilized method to weakly enforce bound constraints in the discrete solution of advection-dominated diffusion problems. This method combines a nonlinear penalty formulation with a discontinuous Galerkin-based residual minimization method. We illustrate the efficiency of this scheme for both uniform and adaptive meshes through proper numerical examples.

We propose a goal-oriented mesh-adaptive algorithm for a finite element method stabilized via residual minimization on dual discontinuous-Galerkin norms. By solving a saddle-point problem, this residual minimization delivers a stable continuous approximation to the solution on each mesh instance and a residual projection onto a broken polynomial space, which is a robust error estimator to minimize the discrete energy norm via automatic mesh refinement. In this work, we propose and analyze a goal-oriented adaptive algorithm for this stable residual minimization. We solve the primal and adjoint problems considering the same saddle-point formulation and different right-hand sides. By solving a third stable problem, we obtain two efficient error estimates to guide goal-oriented adaptivity. We illustrate the performance of this goal-oriented adaptive strategy on advection-diffusion-reaction problems.

We propose a phase-field theory for enriched continua. To generalize classical phase-field models, we derive the phase-field gradient theory based on balances of microforces, microtorques, and mass. We focus on materials where second gradients of the phase field describe long-range interactions. By considering a nontrivial interaction inside the body, described by a boundary-edge microtraction, we characterize the existence of a microhypertraction field, a central aspect of this theory. On surfaces, we define the surface microtraction and the surface-couple microtraction emerging from internal surface interactions. We explicitly account for the lack of smoothness along a curve on surfaces enclosing arbitrary parts of the domain. In these rough areas, internal-edge microtractions appear. We begin our theory by characterizing these tractions. Next, in balancing microforces and microtorques, we arrive at the field equations. Subject to thermodynamic constraints, we develop a general set of constitutive relations for a phase-field model where its free-energy density depends on second gradients of the phase field. A priori, the balance equations are general and independent of constitutive equations, where the thermodynamics constrain the constitutive relations through the free-energy imbalance. To exemplify the usefulness of our theory, we generalize two commonly used phase-field equations. We propose a 'generalized Swift-Hohenberg equation'-a second-grade phase-field equation-and its conserved version, the 'generalized phase-field crystal equation'-a conserved second-grade phase-field equation. Furthermore, we derive the configurational fields arising in this theory. We conclude with the presentation of a comprehensive, thermodynamically consistent set of boundary conditions.

We use the alternating direction method to simulate implicit dynamics. ur spatial discretization uses isogeometric analysis. Namely, we simulate a (hyperbolic) wave propagation problem in which we use tensor-product B-splines in space and an implicit time marching method to fully discretize the problem. We approximate our discrete operator as a Kronecker product of one-dimensional mass and stiffness matrices. As a result of this algebraic transformation, we can factorize the resulting system of equations in linear (i.e., O(N)) time at each step of the implicit method. We demonstrate the performance of our method in the model P-wave propagation problem. We then extend it to simulate the linear elasticity problem once we decouple the vector problem using alternating triangular methods. We proof theoretically and experimentally the unconditional stability of both methods., Comment: 22 pages, 6 figures

We propose a variational splitting technique for the generalized-$\alpha$ method to solve hyperbolic partial differential equations. We use tensor-product meshes to develop the splitting method, which has a computational cost that grows linearly with respect to the total number of degrees of freedom for multi-dimensional problems. We consider standard $C^0$ finite elements as well as smoother B-splines in isogeometric analysis for the spatial discretization. We also study the spectrum of the amplification matrix to establish the unconditional stability of the method. We then show that the stability behavior affects the overall behavior of the integrator on the entire interval and not only at the limits $0$ and $\infty$. We use various examples to demonstrate the performance of the method and the optimal approximation accuracy. For the numerical tests, we compute the $L_2$ and $H^1$ norms to show the optimal convergence of the discrete method in space and second-order accuracy in time.

We design and analyze a new adaptive stabilized finite element method. We construct a discrete approximation of the solution in a continuous trial space by minimizing the residual measured in a dual norm of a discontinuous test space that has inf-sup stability. We formulate this residual minimization as a stable saddle-point problem which delivers a stabilized discrete solution and a residual representation that drives the adaptive mesh refinement. Numerical results on an advection-reaction model problem show competitive error reduction rates when compared to discontinuous Galerkin methods on uniformly refined meshes and smooth solutions. Moreover, the technique leads to optimal decay rates for adaptive mesh refinement and solutions having sharp layers.

In this paper, we introduce the isoGeometric Residual Minimization (iGRM) method. The method solves stationary advection-dominated diffusion problems. We stabilize the method via residual minimization. We discretize the problem using B-spline basis functions. We then seek to minimize the isogeometric residual over a spline space built on a tensor product mesh. We construct the solution over a smooth subspace of the residual. We can specify the solution subspace by reducing the polynomial order, by increasing the continuity, or by a combination of these. The Gramm matrix for the residual minimization method is approximated by a weighted H1 norm, which we can express as Kronecker products, due to the tensor-product structure of the approximations. We use the Gramm matrix as a preconditional which can be applied in a computational cost proportional to the number of degrees of freedom in 2D and 3D. Building on these approximations, we construct an iterative algorithm. We test the residual minimization method on several numerical examples, and we compare it to the Discontinuous Petrov-Galerkin (DPG) and the Streamline Upwind Petrov-Galerkin (SUPG) stabilization methods. The iGRM method delivers similar quality solutions as the DPG method, it uses smaller grids, it does not require breaking of the spaces, but it is limited to tensor-product meshes. The computational cost of the iGRM is higher than for SUPG, but it does not require the determination of problem specific parameters., Comment: 27 pages, 4 figures

The generalized-$\alpha$ time-marching method provides second-order accuracy in time and controls the numerical dissipation in the high-frequency region of the discrete spectrum. This method includes a wide range of time integrators. We increase the order of accuracy of the method while keeping the unconditional stability and the user-control on the high-frequency numerical dissipation. The dissipation is controlled by a single parameter as in the original method. Our high-order schemes require simple modifications of the available implementations of the generalized-$\alpha$ method.

The generalized-$\alpha$ method encompasses a wide range of time integrators. The method possesses high-frequency dissipation while minimizing unwanted low-frequency dissipation and the numerical dissipation can be controlled by the user. The method is unconditionally stable and is of second-order accuracy in time. We extend the second-order generalized-$\alpha$ method to third-order in time while the numerical dissipation can be controlled in a similar fashion. We establish that the third-order method is unconditionally stable. We discuss a possible path to the generalization to higher order schemes. All these high-order schemes can be easily implemented into programs that already contain the second-order generalized-$\alpha$ method.

Most variational forms of isogeometric analysis use highly-continuous basis functions for both trial and test spaces. For a partial differential equation with a smooth solution, isogeometric analysis with highly-continuous basis functions for trial space results in excellent discrete approximations of the solution. However, we observe that high continuity for test spaces is not necessary. In this work, we present a framework which uses highly-continuous B-splines for the trial spaces and basis functions with minimal regularity and possibly lower order polynomials for the test spaces. To realize this goal, we adopt the residual minimization methodology. We pose the problem in a mixed formulation, which results in a system governing both the solution and a Riesz representation of the residual. We present various variational formulations which are variationally-stable and verify their equivalence numerically via numerical tests.

We present a variationally separable splitting technique for the generalized-$\alpha$ method for solving parabolic partial differential equations. We develop a technique for a tensor-product mesh which results in a solver with a linear cost with respect to the total number of degrees of freedom in the system for multi-dimensional problems. We consider finite elements and isogeometric analysis for the spatial discretization. The overall method maintains user-controlled high-frequency dissipation while minimizing unwanted low-frequency dissipation. The method has second-order accuracy in time and optimal rates ($h^{p+1}$ in $L^2$ norm and $h^p$ in $L^2$ norm of $\nabla u$) in space. We present the spectrum analysis on the amplification matrix to establish that the method is unconditionally stable. Various numerical examples illustrate the performance of the overall methodology and show the optimal approximation accuracy.

We study the generalized finite element methods (GFEMs) for the second-order elliptic eigenvalue problem with an interface in 1D. The linear stable generalized finite element methods (SGFEM) were recently developed for the elliptic source problem with interfaces. We first generalize SGFEM to arbitrary order elements and establish the optimal error convergence of the approximate solutions for the elliptic source problem with an interface. We then apply the abstract theory of spectral approximation of compact operators to establish the error estimation for the eigenvalue problem with an interface. The error estimations on eigenpairs strongly depend on the estimation of the discrete solution operator for the source problem. We verify our theoretical findings in various numerical examples including both source and eigenvalue problems., Comment: 22 pages

We introduce an automatic variationally stable analysis (AVS) for finite element (FE) computations of scalar-valued convection-diffusion equations with non-constant and highly oscillatory coefficients. In the spirit of least squares FE methods, the AVS-FE method recasts the governing second order partial differential equation (PDE) into a system of first-order PDEs. However, in the subsequent derivation of the equivalent weak formulation, a Petrov-Galerkin technique is applied by using different regularities for the trial and test function spaces. We use standard FE approximation spaces for the trial spaces, which are C0, and broken Hilbert spaces for the test functions. Thus, we seek to compute pointwise continuous solutions for both the primal variable and its flux (as in least squares FE methods), while the test functions are piecewise discontinuous. To ensure the numerical stability of the subsequent FE discretizations, we apply the philosophy of the discontinuous Petrov-Galerkin (DPG) method by Demkowicz and Gopalakrishnan, by invoking test functions that lead to unconditionally stable numerical systems (if the kernel of the underlying differential operator is trivial). In the AVS-FE method, the discontinuous test functions are ascertained per the DPG approach from local, decoupled, and well-posed variational problems, which lead to best approximation properties in terms of the energy norm. We present various 2D numerical verifications, including convection-diffusion problems with highly oscillatory coefficients and extremely high Peclet numbers, up to a billion. These show the unconditional stability without the need for any upwind schemes nor any other artificial numerical stabilization. The results are not highly diffused for convection-dominated problems ..., Comment: Preprint submitted to Lecture Notes in Computational Science and Engineering, Springer Verlag