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We extend thresholding methods for numerical realization of mean curvature flow on obstacles to the anisotropic setting where interfacial energy depends on the orientation of the interface. This type of schemes treats the interface…
This work explores the capability of simulating complex fluid flows by directly solving the Boltzmann equation. Due to the high-dimensionality of the governing equation, the substantial computational cost of solving the Boltzmann equation…
Particle flow processing is widely employed across various industrial applications and technologies. Due to the complex interactions between particles and fluids, designing effective devices for particle flow processing is challenging. In…
Two-phase flow of two Newtonian incompressible viscous fluids with a soluble surfactant and different densities of the fluids can be modeled within the diffuse interface approach. We consider a Navier-Stokes/Cahn-Hilliard type system…
We develop a new computational framework to solve the partial differential equations (PDEs) governing the flow of the joint probability density functions (PDFs) in continuous-time stochastic nonlinear systems. The need for computing the…
Hyperuniform structures are disordered, correlated systems in which density fluctuations are suppressed at large scales. Such a property generalizes the concept of order in patterns and is relevant across diverse physical systems. We…
We propose and analyze a linearly stabilized semi-implicit diffusive Crank--Nicolson scheme for the Cahn--Hilliard gradient flow. In this scheme, the nonlinear bulk force is treated explicitly with two second-order stabilization terms. This…
A hybrid sharp-interface immersed-boundary/front-tracking (IB/FT) method is developed for interface-resolved simulation of evaporating droplets in incompressible multiphase flows. A one-field formulation is used to solve the flow, species…
In this paper, we aim to study the motions of interfaces and coarsening rates governed by the time-fractional Cahn--Hilliard equation (TFCHE). It is observed by many numerical experiments that the microstructure evolution described by the…
In this study, we investigate and compare formulations for computing shape derivatives in bi-material level-set optimization with precise modeling of the interface. The level-set function is parameterized using B-splines, whose coordinates…
Sampling a target probability distribution with an unknown normalization constant is a fundamental challenge in computational science and engineering. Recent work shows that algorithms derived by considering gradient flows in the space of…
The accurate simulation of complex biochemical phenomena has historically been hampered by the computational requirements of high-fidelity molecular-modeling techniques. Quantum mechanical methods, such as ab initio wave-function (WF)…
A series of benchmarks based on the physical situation of "phase inversion" between two immiscible liquids is presented. These benchmarks aim at progressing toward the direct numerical simulation of two-phase flows. Several CFD codes…
We develop a systematic coarse-graining procedure which establishes the connection between models of mixtures of immiscible fluids at different length and time scales. We start from the Cahn-Hilliard model of spinodal decomposition in a…
An adpative integration technique for time advancement of particle motion in the context of coupled computational fluid dynamics (CFD) - discrete element method (DEM) simulations is presented in this work. CFD-DEM models provide an accurate…
We construct rigorously suitable approximate solutions to the Stokes/Cahn-Hilliard system by using the method of matched asymptotics expansions. This is a main step in the proof of convergence given in the first part of this contribution,…
Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a…
We present a massively parallel solver that accelerates DC loadflow computations for power grid topology optimization tasks. Our approach leverages low-rank updates of the Power Transfer Distribution Factors (PTDFs) to represent substation…
We present a computational framework for modeling large-scale particle-laden flows in complex domains with the goal of enabling simulations in medical-image derived patient specific geometries. The framework is based on a volume-filtered…
This work proposes four novel hybrid quadrature schemes for the efficient and accurate evaluation of weakly singular boundary integrals (1/r kernel) on arbitrary smooth surfaces. Such integrals appear in boundary element analysis for…