In this work, we propose an adaptive geometric multigrid method for the solution of large-scale finite cell flow problems. The finite cell method seeks to circumvent the need for a boundary-conforming mesh through the embedding of the physical domain in a regular background mesh. As a result of the intersection between the physical domain and the background computational mesh, the resultant systems of equations are typically numerically ill-conditioned, rendering the appropriate treatment of cutcells a crucial aspect of the solver. To this end, we propose a smoother operator with favorable parallel properties and discuss its memory footprint and parallelization aspects. We propose three cache policies that offer a balance between cached and on-the-fly computation and discuss the optimization opportunities offered by the smoother operator. It is shown that the smoother operator, on account of its additive nature, can be replicated in parallel exactly with little communication overhead, which offers a major advantage in parallel settings as the geometric multigrid solver is consequently independent of the number of processes. The convergence and scalability of the geometric multigrid method is studied using numerical examples. It is shown that the iteration count of the solver remains bounded independent of the problem size and depth of the grid hierarchy. The solver is shown to obtain excellent weak and strong scaling using numerical benchmarks with more than 665 million degrees of freedom. The presented geometric multigrid solver is, therefore, an attractive option for the solution of large-scale finite cell problems in massively parallel high-performance computing environments.
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We present a novel approach to perform agglomeration of polygonal and polyhedral grids based on spatial indices. Agglomeration strategies are a key ingredient in polytopal methods for PDEs as they are used to generate (hierarchies of) computational grids from an initial grid. Spatial indices are specialized data structures that significantly accelerate queries involving spatial relationships in arbitrary space dimensions. We show how the construction of the R-tree spatial database of an arbitrary fine grid offers a natural and efficient agglomeration strategy with the following characteristics: i) the process is fully automated, robust, and dimension-independent, ii) it automatically produces a balanced and nested hierarchy of agglomerates, and iii) the shape of the agglomerates is tightly close to the respective axis aligned bounding boxes. Moreover, the R-tree approach provides a full hierarchy of nested agglomerates which permits fast query and allows for efficient geometric multigrid methods to be applied also to those cases where a hierarchy of grids is not present at construction time. We present several examples based on polygonal discontinuous Galerkin methods, confirming the effectiveness of our approach in the context of challenging three-dimensional geometries and the design of geometric multigrid preconditioners.
Particle-based methods are a practical tool in computational fluid dynamics, and novel types of methods have been proposed. However, widely developed Lagrangian-type formulations suffer from the nonuniform distribution of particles, which is enhanced over time and result in problems in computational efficiency and parallel computations. To mitigate these problems, a mesh-constrained discrete point (MCD) method was developed for stationary boundary problems (Matsuda et al., 2022). Although the MCD method is a meshless method that uses moving least-squares approximation, the arrangement of particles (or discrete points (DPs)) is specialized so that their positions are constrained in background meshes to obtain a closely uniform distribution. This achieves a reasonable approximation for spatial derivatives with compact stencils without encountering any ill-posed condition and leads to good performance in terms of computational efficiency. In this study, a novel meshless method based on the MCD method for incompressible flows with moving boundaries is proposed. To ensure the mesh constraint of each DP in moving boundary problems, a novel updating algorithm for the DP arrangement is developed so that the position of DPs is not only rearranged but the DPs are also reassigned the role of being on the boundary or not. The proposed method achieved reasonable results in numerical experiments for well-known moving boundary problems.
Accurate prediction of battery temperature rise is very essential for designing an efficient thermal management scheme. In this paper, machine learning (ML) based prediction of Vanadium Redox Flow Battery (VRFB) thermal behavior during charge-discharge operation has been demonstrated for the first time. Considering different currents with a specified electrolyte flow rate, the temperature of a kW scale VRFB system is studied through experiments. Three different ML algorithms; Linear Regression (LR), Support Vector Regression (SVR) and Extreme Gradient Boost (XGBoost) have been used for the prediction work. The training and validation of ML algorithms have been done by the practical dataset of a 1kW 6kWh VRFB storage under 40A, 45A, 50A and 60A charge-discharge currents and 10 L min-1 of flow rate. A comparative analysis among the ML algorithms is done in terms of performance metrics such as correlation coefficient (R2), mean absolute error (MAE) and root mean square error (RMSE). It is observed that XGBoost shows the highest accuracy in prediction of around 99%. The ML based prediction results obtained in this work can be very useful for controlling the VRFB temperature rise during operation and act as indicator for further development of an optimized thermal management system.
Topology optimization is an important basis for the design of components. Here, the optimal structure is found within a design space subject to boundary conditions. Thereby, the specific material law has a strong impact on the final design. An important kind of material behavior is hardening: then a, for instance, linear-elastic structure is not optimal if plastic deformation will be induced by the loads. Since hardening behavior has a remarkable impact on the resultant stress field, it needs to be accounted for during topology optimization. In this contribution, we present an extension of the thermodynamic topology optimization that accounts for this non-linear material behavior due to the evolution of plastic strains. For this purpose, we develop a novel surrogate model that allows to compute the plastic strain tensor corresponding to the current structure design for arbitrary hardening behavior. We show the agreement of the model with the classic plasticity model for monotonic loading. Furthermore, we demonstrate the interaction of the topology optimization for hardening material behavior results in structural changes.
In this work, a family of symmetric interpolation points are generated on the four-dimensional simplex (i.e. the pentatope). These points are optimized in order to minimize the Lebesgue constant. The process of generating these points closely follows that outlined by Warburton in "An explicit construction of interpolation nodes on the simplex," Journal of Engineering Mathematics, 2006. Here, Warburton generated optimal interpolation points on the triangle and tetrahedron by formulating explicit geometric warping and blending functions, and applying these functions to equidistant nodal distributions. The locations of the resulting points were Lebesgue-optimized. In our work, we extend this procedure to four dimensions, and construct interpolation points on the pentatope up to order ten. The Lebesgue constants of our nodal sets are calculated, and are shown to outperform those of equidistant nodal distributions.
Tow steering technologies, such as Automated fiber placement, enable the fabrication of composite laminates with curvilinear fiber, tow, or tape paths. Designers may therefore tailor tow orientations locally according to the expected local stress state within a structure, such that strong and stiff orientations of the tow are (for example) optimized to provide maximal mechanical benefit. Tow path optimization can be an effective tool in automating this design process, yet has a tendency to create complex designs that may be challenging to manufacture. In the context of tow steering, these complexities can manifest in defects such as tow wrinkling, gaps, overlaps. In this work, we implement manufacturing constraints within the tow path optimization formulation to restrict the minimum tow turning radius and the maximum density of gaps between and overlaps of tows. This is achieved by bounding the local value of the curl and divergence of the vector field associated with the tow orientations. The resulting local constraints are effectively enforced in the optimization framework through the Augmented Lagrangian method. The resulting optimization methodology is demonstrated by designing 2D and 3D structures with optimized tow orientation paths that maximize stiffness (minimize compliance) considering various levels of manufacturing restrictions. The optimized tow paths are shown to be structurally efficient and to respect imposed manufacturing constraints. As expected, the more geometrical complexity that can be achieved by the feedstock tow and placement technology, the higher the stiffness of the resulting optimized design.
In this work, we present an efficient way to decouple the multicontinuum problems. To construct decoupled schemes, we propose Implicit-Explicit time approximation in general form and study them for the fine-scale and coarse-scale space approximations. We use a finite-volume method for fine-scale approximation, and the nonlocal multicontinuum (NLMC) method is used to construct an accurate and physically meaningful coarse-scale approximation. The NLMC method is an accurate technique to develop a physically meaningful coarse scale model based on defining the macroscale variables. The multiscale basis functions are constructed in local domains by solving constraint energy minimization problems and projecting the system to the coarse grid. The resulting basis functions have exponential decay properties and lead to the accurate approximation on a coarse grid. We construct a fully Implicit time approximation for semi-discrete systems arising after fine-scale and coarse-scale space approximations. We investigate the stability of the two and three-level schemes for fully Implicit and Implicit-Explicit time approximations schemes for multicontinuum problems in fractured porous media. We show that combining the decoupling technique with multiscale approximation leads to developing an accurate and efficient solver for multicontinuum problems.
In this paper we consider an orthonormal basis, generated by a tensor product of Fourier basis functions, half period cosine basis functions, and the Chebyshev basis functions. We deal with the approximation problem in high dimensions related to this basis and design a fast algorithm to multiply with the underlying matrix, consisting of rows of the non-equidistant Fourier matrix, the non-equidistant cosine matrix and the non-equidistant Chebyshev matrix, and its transposed. This leads us to an ANOVA (analysis of variance) decomposition for functions with partially periodic boundary conditions through using the Fourier basis in some dimensions and the half period cosine basis or the Chebyshev basis in others. We consider sensitivity analysis in this setting, in order to find an adapted basis for the underlying approximation problem. More precisely, we find the underlying index set of the multidimensional series expansion. Additionally, we test this ANOVA approximation with mixed basis at numerical experiments, and refer to the advantage of interpretable results.
Calls to make scientific research more open have gained traction with a range of societal stakeholders. Open Science practices include but are not limited to the early sharing of results via preprints and openly sharing outputs such as data and code to make research more reproducible and extensible. Existing evidence shows that adopting Open Science practices has effects in several domains. In this study, we investigate whether adopting one or more Open Science practices leads to significantly higher citations for an associated publication, which is one form of academic impact. We use a novel dataset known as Open Science Indicators, produced by PLOS and DataSeer, which includes all PLOS publications from 2018 to 2023 as well as a comparison group sampled from the PMC Open Access Subset. In total, we analyze circa 122'000 publications. We calculate publication and author-level citation indicators and use a broad set of control variables to isolate the effect of Open Science Indicators on received citations. We show that Open Science practices are adopted to different degrees across scientific disciplines. We find that the early release of a publication as a preprint correlates with a significant positive citation advantage of about 20.2% on average. We also find that sharing data in an online repository correlates with a smaller yet still positive citation advantage of 4.3% on average. However, we do not find a significant citation advantage for sharing code. Further research is needed on additional or alternative measures of impact beyond citations. Our results are likely to be of interest to researchers, as well as publishers, research funders, and policymakers.
Splitting methods are a widely used numerical scheme for solving convection-diffusion problems. However, they may lose stability in some situations, particularly when applied to convection-diffusion problems in the presence of an unbounded convective term. In this paper, we propose a new splitting method, called the "Adapted Lie splitting method", which successfully overcomes the observed instability in certain cases. Assuming that the unbounded coefficient belongs to a suitable Lorentz space, we show that the adapted Lie splitting converges to first-order under the analytic semigroup framework. Furthermore, we provide numerical experiments to illustrate our newly proposed splitting approach.
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