Related papers: A Momentum-Conserving Implicit Material Point Meth…
We derive mixed finite element discretizations of a cold relativistics fluid model from approximations of the Poisson bracket that preserve mass, energy and the divergence constraints. For time-discretization we derive an implicit…
The immersed interface method (IIM) for models of fluid flow and fluid-structure interaction imposes jump conditions that capture stress discontinuities generated by forces that are concentrated along immersed boundaries. Most prior work…
Given the facts of the extensiveness of multi-material diffusion problems and the inability of the standard PINN(Physics-Informed Neural Networks) method for such problems, in this paper we present a novel PINN method that can accurately…
We propose a sharp-interface model for solid-state dewetting of thin films with wetting potential, where the wetting effect is incorporated through a thickness-dependent surface energy. The model is governed by surface diffusion together…
The stability of most surface-tension-driven interfacial flow simulations is governed by the capillary time-step constraint. This concerns particularly small-scale flows and, more generally, highly-resolved liquid-gas simulations with…
We study gradient models on the lattice $\mathbb{Z}^d$ with non-convex interactions. These Gibbs fields (lattice models with continuous spin) emerge in various branches of physics and mathematics. In quantum field theory they appear as…
Surface reconstruction from point clouds is a fundamental step in many applications in computer vision. In this paper, we develop an efficient iterative method on a variational model for the surface reconstruction from point clouds. The…
The Martini model, a coarse-grained forcefield for biomolecular simulations, has experienced a vast increase in popularity in the past decade. Its building-block approach balances computational efficiency with high chemical specificity,…
In this paper, the mathematical properties and numerical discretizations of multiphase models that simulate the phase separation of an $N$-component mixture are studied. For the general choice of phase variables, the unisolvent property of…
An energy-based liquid-vapor interface detection method is presented using molecular dynamics (MD) simulations of liquid menisci confined between two parallel plates under equilibrium and evaporation/condensation conditions. This method…
We discuss different definitions of pressure for a system of active spherical particles driven by a non-thermal coloured noise. We show that mechanical, kinetic and free-energy based approaches lead to the same result up to first order in…
Discrete gradient methods are a powerful tool for the time discretization of dynamical systems, since they are structure-preserving regardless of the form of the total energy. In this work, we discuss the application of discrete gradient…
In this paper, we propose a robust and efficient numerical framework for simulating multicomponent gas flow in poroelastic media, with a focus on preserving fundamental thermodynamic principles and ensuring computational reliability. The…
We develop a general methodology for the inclusion of variable surface tension into a Volume-of-Fluid based Navier-Stokes solver. This new numerical model provides a robust and accurate method for computing the surface gradients directly by…
We present a novel discretisation strategy, strongly inspired from Roe's Active Flux scheme. It can use polygonal meshes and is provably bound preserving for scalar problems and the Euler equations. Several cases demonstrates the quality of…
It is well known that the number of particles should be scaled up to enable industrial scale simulation. The calculations are more computationally intensive when the motion of the surrounding fluid is considered. Besides the advances in…
Surface energy is fundamental in controlling surface properties and surface-driven processes like heterogeneous catalysis, as adsorption energy is. It is thus crucial to establish an effective scheme to determine surface energy and its…
We propose a structure-preserving parametric finite element method (SP-PFEM) for discretizing the surface diffusion of a closed curve in two dimensions (2D) or surface in three dimensions (3D). Here the "structure-preserving" refers to…
The confliction between the stable interface in phase-separated active Brownian particles and its negative surface tension, obtained mechanically via the active pressure, has sparked considerable debate about the formula of active surface…
We introduce the Closest Point Heat Method (CPHM), a novel approach for solving the surface Eikonal equation on general smooth surfaces. Building on the strengths of the classical heat method, such as simplicity of implementation and…