No Arabic abstract
For material modeling of microstructured media, an accurate characterization of the underlying microstructure is indispensable. Mathematically speaking, the overall goal of microstructure characterization is to find simple functionals which describe the geometric shape as well as the composition of the microstructures under consideration, and enable distinguishing microstructures with distinct effective material behavior. For this purpose, we propose using Minkowski tensors, in general, and the quadratic normal tensor, in particular, and introduce a computational algorithm applicable to voxel-based microstructure representations. Rooted in the mathematical field of integral geometry, Minkowski tensors associate a tensor to rather general geometric shapes, which make them suitable for a wide range of microstructured material classes. Furthermore, they satisfy additivity and continuity properties, which makes them suitable and robust for large-scale applications. We present a modular algorithm for computing the quadratic normal tensor of digital microstructures. We demonstrate multigrid convergence for selected numerical examples and apply our approach to a variety of microstructures. Strikingly, the presented algorithm remains unaffected by inaccurate computation of the interface area. The quadratic normal tensor may be used for engineering purposes, such as mean-field homogenization or as target value for generating synthetic microstructures.
In this paper, based on the idea of self-adjusting steepness based schemes[5], a two-dimensional calculation method of steepness parameter is proposed, and thus a two-dimensional self-adjusting steepness based limiter is constructed. With the application of such limiter to the over-intersection based remapping framework, a low dissipation remapping method has been proposed that can be applied to the existing ALE method.
Analysis of reactive-diffusion simulations requires a large number of independent model runs. For each high-fidelity simulation, inputs are varied and the predicted mixing behavior is represented by changes in species concentration. It is then required to discern how the model inputs impact the mixing process. This task is challenging and typically involves interpretation of large model outputs. However, the task can be automated and substantially simplified by applying Machine Learning (ML) methods. In this paper, we present an application of an unsupervised ML method (called NTFk) using Non-negative Tensor Factorization (NTF) coupled with a custom clustering procedure based on k-means to reveal hidden features in product concentration. An attractive aspect of the proposed ML method is that it ensures the extracted features are non-negative, which are important to obtain a meaningful deconstruction of the mixing processes. The ML method is applied to a large set of high-resolution FEM simulations representing reaction-diffusion processes in perturbed vortex-based velocity fields. The applied FEM ensures that species concentration are always non-negative. The simulated reaction is a fast irreversible bimolecular reaction. The reactive-diffusion model input parameters that control mixing include properties of velocity field, anisotropic dispersion, and molecular diffusion. We demonstrate the applicability of the ML method to produce a meaningful deconstruction of model outputs to discriminate between different physical processes impacting the reactants, their mixing, and the spatial distribution of the product. The presented ML analysis allowed us to identify additive features that characterize mixing behavior.
For the high dimensional data representation, nonnegative tensor ring (NTR) decomposition equipped with manifold learning has become a promising model to exploit the multi-dimensional structure and extract the feature from tensor data. However, the existing methods such as graph regularized tensor ring decomposition (GNTR) only models the pair-wise similarities of objects. For tensor data with complex manifold structure, the graph can not exactly construct similarity relationships. In this paper, in order to effectively utilize the higher-dimensional and complicated similarities among objects, we introduce hypergraph to the framework of NTR to further enhance the feature extraction, upon which a hypergraph regularized nonnegative tensor ring decomposition (HGNTR) method is developed. To reduce the computational complexity and suppress the noise, we apply the low-rank approximation trick to accelerate HGNTR (called LraHGNTR). Our experimental results show that compared with other state-of-the-art algorithms, the proposed HGNTR and LraHGNTR can achieve higher performance in clustering tasks, in addition, LraHGNTR can greatly reduce running time without decreasing accuracy.
We propose a new algorithm for computing the tensor rank decomposition or canonical polyadic decomposition of higher-order tensors subject to a rank and genericity constraint. Reformulating this as a system of polynomial equations allows us to leverage recent numerical linear algebra tools from computational algebraic geometry. We describe the complexity of our algorithm in terms of the multigraded regularity of a multihomogeneous ideal. We prove effective bounds for many formats and ranks and conjecture a general formula. These bounds are of independent interest for overconstrained polynomial system solving. Our experiments show that our algorithm can outperform state-of-the-art algebraic algorithms by an order of magnitude in terms of accuracy, computation time, and memory consumption.
This article presents numerical investigations on accuracy and convergence properties of several numerical approaches for simulating steady state flows in heterogeneous aquifers. Finite difference, finite element, discontinuous Galerkin, spectral, and random walk methods are tested on one- and two-dimensional benchmark flow problems. Realizations of log-normal hydraulic conductivity fields are generated by Kraichnan algorithms in closed form as finite sums of random periodic modes, which allow direct code verification by comparisons with manufactured reference solutions. The quality of the methods is assessed for increasing number of random modes and for increasing variance of the log-hydraulic conductivity fields with Gaussian and exponential correlation. Experimental orders of convergence are calculated from successive refinements of the grid. The numerical methods are further validated by comparisons between statistical inferences obtained from Monte Carlo ensembles of numerical solutions and theoretical first-order perturbation results. It is found that while for Gaussian correlation of the log-conductivity field all the methods perform well, in the exponential case their accuracy deteriorates and, for large variance and number of modes, the benchmark problems are practically not tractable with reasonably large computing resources, for all the methods considered in this study.