Computer Science

This paper presents a mixed finite element framework for coupled hydro-mechanical-chemical processes in heterogeneous porous media. The framework combines two types of locally conservative discretization schemes: (1) an enriched Galerkin method for reactive flow, and (2) a three-field mixed finite element method for coupled fluid flow and solid deformation. This combination ensures local mass conservation, which is critical to flow and transport in heterogeneous porous media, with a relatively affordable computational cost. A particular class of the framework is constructed for calcite precipitation/dissolution reactions, incorporating their nonlinear effects on the fluid viscosity and solid deformation. Linearization schemes and algorithms for solving the nonlinear algebraic system are also presented. Through numerical examples of various complexity, we demonstrate that the proposed framework is a robust and efficient computational method for simulation of reactive flow and transport in deformable porous media, even when the material properties are strongly heterogeneous and anisotropic.

The multiscale simulation of heterogeneous materials is a popular and important subject in solid mechanics and materials science due to the wide application of composite materials. However, the classical FE2 (finite element2) scheme can be costly, especially when the microproblem is nonlinear. In this paper, we consider the case when the microproblem is the phase field formulation for fracture. We adopt the locally linear embedding (LLE) manifold learning approach, a method for non-linear dimension reduction, to extract the manifold that contains a collection of phase-field-represented initial microcrack patterns in the representative volume element (RVE). Then the output data corresponding to any other microcrack pattern, e.g., the evolved phase field at a fixed load, can be accurately reconstructed using the learned manifold with minimum computation. The method has two features: a minimum number of parameters for the scheme, and an input-specific error bar. The latter feature enables an adaptive strategy for any new input on whether to use the proposed, less expensive reconstruction, or to use an accurate but costly high-fidelity computation instead.

This paper proposes a hierarchical adaptive sampling scheme for passivity characterization of large-scale linear lumped macromodels. Here, large-scale is intended both in terms of dynamic order and especially number of input/output ports. Standard passivity characterization approaches based on spectral properties of associated Hamiltonian matrices are either inefficient or non-applicable for large-scale models, due to an excessive computational cost. This paper builds on existing adaptive sampling methods and proposes a hybrid multi-stage algorithm that is able to detect the passivity violations with limited computing resources. Results from extensive testing demonstrate a major reduction in computational requirements with respect to competing approaches.

In recent years, interface quasi-Newton methods have gained growing attention in the fluid-structure interaction community by significantly improving partitioned solution schemes: They not only help to control the inherent added-mass instability, but also prove to substantially speed up the coupling's convergence. In this work, we present a novel variant: The key idea is to build on the multi-vector Jacobian update scheme first presented by Bogaers et al. (2014) and avoid any explicit representation of the (inverse) Jacobian approximation, since it slows down the solution for large systems. Instead, all terms involving a quadratic complexity have been systematically eliminated. The result is a new multi-vector interface quasi-Newton variant whose computational cost scales linearly with the problem size.

A meshless Fragile Points Method (FPM) is presented for analyzing 2D flexoelectric problems. Local, simple, polynomial and discontinuous trial and test functions are generated with the help of a local meshless differential quadrature approximation of the first three derivatives. Interior Penalty Numerical Fluxes are employed to ensure the consistency of the method. Based on a Galerkin weak-form formulation, the present FPM leads to symmetric and sparse matrices, and avoids the difficulties of numerical integration in the previous meshfree methods. Numerical examples including isotropic and anisotropic materials with flexoelectric and piezoelectric effects are provided as validations. The present method is much simpler than the Finite Element Method, or the Element-Free Galerkin (EFG) and Meshless Local Petrov-Galerkin (MLPG) methods, and the numerical integration of the weak form is trivially simple.

A new and effective computational approach is presented for analyzing transient heat conduction problems. The approach consists of a meshless Fragile Points Method (FPM) being utilized for spatial discretization, and a Local Variational Iteration (LVI) scheme for time discretization. Anisotropy and nonhomogeneity do not give rise to any difficulties in the present implementation. The meshless FPM is based on a Galerkin weak-form formulation and thus leads to symmetric matrices. Local, very simple, polynomial and discontinuous trial and test functions are employed. In the meshless FPM, Interior Penalty Numerical Fluxes are introduced to ensure the consistency of the method. The LVIM in the time domain is generated as a combination of the Variational Iteration Method (VIM) applied over a large time interval and numerical algorithms. A set of collocation nodes are employed in each finitely large time interval. The FPM + LVIM approach is capable of solving transient heat transfer problems in complex geometries with mixed boundary conditions, including pre-existing cracks. Numerical examples are presented in 2D and 3D domains. Both functionally graded materials and composite materials are considered. It is shown that, with suitable computational parameters, the FPM + LVIM approach is not only accurate, but also efficient, and has reliable stability under relatively large time intervals. The present methodology represents a considerable improvement to the current state of science in computational transient heat conduction in anisotropic nonhomogeneous media.

Mechanical metamaterials feature engineered microstructures designed to exhibit exotic, and often counter-intuitive, effective behaviour. Such a behaviour is often achieved through instability-induced transformations of the underlying periodic microstructure into one or multiple patterning modes. Due to a strong kinematic coupling of individual repeating microstructural cells, non-local behaviour and size effects emerge, which cannot easily be captured by classical homogenization schemes. In addition, the individual patterning modes can mutually interact in space as well as in time, while at the engineering scale the entire structure can buckle globally. For efficient numerical macroscale predictions, a micromorphic computational homogenization scheme has recently been developed. Although this framework is in principle capable of accounting for spatial and temporal interactions between individual patterning modes, its implementation relied on a gradient-based quasi-Newton solution technique. This solver is suboptimal because (i) it has sub-quadratic convergence, and (ii) the absence of Hessians does not allow for proper bifurcation analyses. Given that mechanical metamaterials often rely on controlled instabilities, these limitations are serious. To address them, a full Newton method is provided in detail in this paper. The construction of the macroscopic tangent operator is not straightforward due to specific model assumptions on the decomposition of the underlying displacement field pertinent to the micromorphic framework, involving orthogonality constraints. Analytical expressions for the first and second variation of the total potential energy are given, and the complete algorithm is listed. The developed methodology is demonstrated with two examples in which a competition between local and global buckling exists and where multiple patterning modes emerge.

We develop a novel nonlocal model of dislocations based on the framework of peridynamics. By embedding interior discontinuities into the nonlocal constitutive law, the displacement jump in the Volterra dislocation model is reproduced, intrinsic singularities in classical elasticity are regularized, and the surface effect in previous peridynamics models is avoided. The extended embedded discontinuity peridynamics overcomes unphysical dissipation in treating discontinuity and is still easy to be solved with the particle-based meshless method. The properties of the proposed dislocation model are compared with classical elasticity solutions under the case of an edge dislocation, double edge dislocations, a screw dislocation and a circular dislocation loop. Numerical results show a high consistency in displacement field while no singularity appears in the peridynamics model, the interaction force is in agreement with be the Peach-Koehler formula down to the core region and high accuracy can be reached in 3D with limited computation cost. The proposed model provides a feasible tool for multiscale modeling of dislocations. Though dislocation is modeled as pre-defined displacement jump, it is straightforward to extend the method to model various fracture conditions.

The elasto-plastic material behavior, material strength and failure modes of metals fabricated by additive manufacturing technologies are significantly determined by the underlying process-specific microstructure evolution. In this work a novel physics-based and data-supported phenomenological microstructure model for Ti-6Al-4V is proposed that is suitable for the part-scale simulation of selective laser melting processes. The model predicts spatially homogenized phase fractions of the most relevant microstructural species, namely the stable β -phase, the stable α s -phase as well as the metastable Martensite α m -phase, in a physically consistent manner. In particular, the modeled microstructure evolution, in form of diffusion-based and non-diffusional transformations, is a pure consequence of energy and mobility competitions among the different specifies, without the need for heuristic transformation criteria as often applied in existing models. The mathematically consistent formulation of the evolution equations in rate form renders the model suitable for the practically relevant scenario of temperature- or time-dependent diffusion coefficients, arbitrary temperature profiles, and multiple coexisting phases. Due to its physically motivated foundation, the proposed model requires only a minimal number of free parameters, which are determined in an inverse identification process considering a broad experimental data basis in form of time-temperature transformation diagrams. Subsequently, the predictive ability of the model is demonstrated by means of continuous cooling transformation diagrams, showing that experimentally observed characteristics such as critical cooling rates emerge naturally from the proposed microstructure model, instead of being enforced as heuristic transformation criteria.

This paper demonstrates the predictive superiority of discrete wavelet transform (DWT) over previously used methods of feature extraction in the diagnosis of epileptic seizures from EEG data. Classification accuracy, specificity, and sensitivity are used as evaluation metrics. We specifically show the immense potential of 2 combinations (DWT-db4 combined with SVM and DWT-db2 combined with RF) as compared to others when it comes to diagnosing epileptic seizures either in the balanced or the imbalanced dataset. The results also highlight that MFCC performs less than all the DWT used in this study and that, The mean-differences are statistically significant respectively in the imbalanced and balanced dataset. Finally, either in the balanced or the imbalanced dataset, the feature extraction techniques, the models, and the interaction between them have a statistically significant effect on the classification accuracy.