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We present a novel Eulerian meshless method for two-phase flows with arbitrary embedded geometries. The spatial derivatives are computed using the meshless generalized finite difference method (GFDM). The sharp phase interface is tracked…
The accurate and efficient simulation of Partial Differential Equations (PDEs) in and around arbitrarily defined geometries is critical for many application domains. Immersed boundary methods (IBMs) alleviate the usually laborious and…
A widely used electrostatics model in the biomolecular modeling community, the nonlinear Poisson-Boltzmann equation, along with its finite element approximation, are analyzed in this paper. A regularized Poisson-Boltzmann equation is…
The task of locating first order saddle points on high-dimensional surfaces describing the variation of energy as a function of atomic coordinates is an essential step for identifying the mechanism and estimating the rate of thermally…
From a mathematical perspective, the extraordinary properties of metamaterials are often reflected in the coefficients of the governing partial differential equations (PDEs). These coefficients may fall outside the assumptions of classical…
We analyse three time integration schemes for unfitted methods in fluid structure interaction. In Alghorithm 1 we propose a fully discrete monolithic algorithm with P1 P1 stabilized finite elements for the fluid problem; for this alghorithm…
Computational modeling and simulation of fluid-structure interactions constitute a fundamental cornerstone for advancing aerospace engineering endeavors. This paper addresses the notion and implementation of the immersed boundary method for…
Electrostatic generative models such as PFGM++ have recently emerged as a powerful framework, achieving state-of-the-art performance in image synthesis. PFGM++ operates in an extended data space with auxiliary dimensionality $D$, recovering…
We present a high-order implicit large-eddy simulation (ILES) approach for simulating transitional turbulent flows. The approach consists of an Interior Embedded Discontinuous Galerkin (IEDG) method for the discretization of the…
This letter is concerned with solving continuous-discrete Gaussian smoothing problems by using the Taylor moment expansion (TME) scheme. In the proposed smoothing method, we apply the TME method to approximate the transition density of the…
A framework for performing dynamic mesh adaptation with the discontinuous Galerkin method (DGM) is presented. Adaptations include modifications of the local mesh step size (h-adaptation) and the local degree of the approximating polynomials…
The ensemble data assimilation of computational fluid dynamics simulations based on the lattice Boltzmann method (LBM) and the local ensemble transform Kalman filter (LETKF) is implemented and optimized on a GPU supercomputer based on…
A dual time-stepping strategy of gas-kinetic scheme for the simulation of unsteady flows is introduced in this work. The dual time-stepping strategy is always used in the approaches of unsteady flows, and the ability of dual time-stepping…
In this paper we propose an efficient second order well balanced finite volume method for modeling complex free surface flows at the aid of a simple diffuse interface method. The employed physical model is a two-phase model derived from the…
The porous medium equation (PME) is a typical nonlinear degenerate parabolic equation. We have studied numerical methods for PME by an energetic variational approach in [C. Duan et al, J. Comput. Phys., 385 (2019) 13-32], where the…
This work develops and analyzes a variational-monolithic unfitted finite element formulation of a linear fluid-structure interaction problem in Eulerian coordinates with a fixed interface. The overall discretization is based on a backward…
We introduce a novel concept, the minimal molecular surface (MMS), as a new paradigm for the theoretical modeling of biomolecule-solvent interfaces. When a less polar macromolecule is immersed in a polar environment, the surface free energy…
Accurate learning of system dynamics is becoming increasingly crucial for advanced control and decision-making in engineering. However, real-world systems often exhibit multiple channels and highly nonlinear transition dynamics, challenging…
We present a direct Poisson solver for massively parallel simulations on three-dimensional Cartesian grids with non-uniform spacing. The method uses a tensor-based formulation in which the operator is diagonalized numerically along two…
The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into…