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The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…
Current system thermal-hydraulic codes have limited credibility in simulating real plant conditions, especially when the geometry and boundary conditions are extrapolated beyond the range of test facilities. This paper proposes a…
Kernel methods are a highly effective and widely used collection of modern machine learning algorithms. A fundamental limitation of virtually all such methods are computations involving the kernel matrix that naively scale quadratically…
By performing a stochastic dynamic in a space of Slater determinants, the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has been able to obtain energies which are essentially free from systematic error to the basis set…
Hybrid quantum mechanical-molecular mechanical (QM/MM) simulations are widely used in enzyme simulation. Over ten convergence studies of QM/MM methods have revealed over the past several years that key energetic and structural properties…
Severe accident analysis using system-level codes such as MELCOR is indispensable for nuclear safety assessment, yet the computational cost of repeated simulations poses a significant bottleneck for parametric studies and uncertainty…
In this paper, three efficient ensemble algorithms are proposed for fast-solving the random fluid-fluid interaction model. Such a model can be simplified as coupling two heat equations with random diffusion coefficients and a friction…
In this paper, we present a robust and efficient unfitted concurrent multiscale method for continuum-continuum coupling, based on the Cut Finite Element Method (CutFEM). The computational domain is defined using approximate signed distance…
Reduced density-matrix functional theory (RDMFT) provides a variational route to electronic correlations beyond conventional density-functional approximations, but explicit evaluations of density-matrix functionals still scale exponentially…
This paper proposes an approach combining the Volume Penalization (VP) and the the Lattice Boltzmann method (LBM) to compute fluid structure interaction involving rigid bodies. The method consists in adding a force term in the LBM…
Simulating the flow of two fluid phases in porous media is a challenging task, especially when fractures are included in the simulation. Fractures may have highly heterogeneous properties compared to the surrounding rock matrix,…
In this paper, a type of novel projection-based, time-segmented reduced order model (ROM) is proposed for dynamic fluid-structure interaction (FSI) problems based upon the arbitrary Lagrangian--Eulerian (ALE)-finite element method (FEM) in…
This work addresses research questions arising from the application of geometrically exact beam theory in the context of fluid-structure interaction (FSI). Geometrically exact beam theory has proven to be a computationally efficient way to…
To minimize the sediment flowing to the outlet of a river catchment with minimal effort or cost, it is important to select the best areas to perform a certain intervention, e.g., afforestation. CAMF (Cellular Automata based heuristic for…
We present a loosely coupled approach for the solution of fluid-structure interaction problems between a compressible flow and a deformable structure. The method is based on staggered Dirichlet-Neumann partitioning. The interface motion in…
Modeling contact mechanics with high contrast coefficients presents significant mathematical and computational challenges, especially in achieving strongly symmetric stress approximations for mixed formulations. Due to the inherent…
Among optimal hierarchical algorithms for the computational solution of elliptic problems, the Fast Multipole Method (FMM) stands out for its adaptability to emerging architectures, having high arithmetic intensity, tunable accuracy, and…
We present novel coupling schemes for partitioned multi-physics simulation that combine four important aspects for strongly coupled problems: implicit coupling per time step, fast and robust acceleration of the corresponding iterative…
Hydrogen fuel cells are a key technology in the transition toward carbon-neutral energy systems, offering clean power with water as the only byproduct. Microfluidic fuel cells, which operate at the microliter scale, are an emerging variant…
Developing efficient path integral (PI) methods for atomistic simulations of vibrational spectra in heterogeneous condensed phases and interfaces has long been a challenging task. Here, we present the h-CMD method, short for hybrid centroid…