相关论文: Challenges in modelling diffusiophoretic transport

The transport of heat and particles in the relatively collisional edge regions of magnetically confined plasmas is a scientifically challenging and technologically important problem. Understanding and predicting this transport requires the…

Transport-dominated partial differential equation models have been used extensively over the past two decades to describe various collective migration phenomena in cell biology and ecology. To understand the behaviour of these models (and…

Immersed boundary methods for computing confined fluid and plasma flows in complex geometries are reviewed. The mathematical principle of the volume penalization technique is described and simple examples for imposing Dirichlet and Neumann…

We demonstrate that "moderate" departures from the no-slip hydrodynamic boundary condition (hydrodynamic slip lengths in the nanometer range) can result in a very large enhancement - up to two orders of magnitude- of most interfacially…

We study rare events in systems of diffusive fields driven out of equilibrium by the boundaries. We present a numerical technique and use it to calculate the probabilities of rare events in one and two dimensions. Using this technique, we…

In the present study, a discrete forcing Immersed Boundary Method (IBM) is proposed for the numerical simulation of high-speed flow problems including heat exchange. The flow field is governed by the compressible Navier-Stokes equations,…

I give an overview of rare event simulation techniques to generate dynamical pathways across high free energy barriers. The methods on which I will concentrate are the reactive flux approach, transition path sampling, (replica-exchange)…

We report a numerical study of the diffusiophoresis of short polymers using non-equilibrium molecular dynamics simulations. More precisely, we consider polymer chains in a fluid containing a solute which has a concentration gradient, and…

We present an immersed boundary method to simulate the creeping motion of a rigid particle in a fluid described by the Stokes equations discretized thanks to a finite element strategy on unfitted meshes, called Phi-FEM, that uses the…

We review a dynamical approach to non-equilibrium MD (D-NEMD). We show how, using a proper simulation setup, is possible to treat interesting cases in which the initial condition is a stationary non-equilibrium state produced by a suitable…

Nanoconfinement induces many intriguing non-Fourier heat conduction phenomena that have been extensively studied in recent years, such as the nonlinear temperature profile inside the devices, the temperature jumps near the contacts, and the…

The process referred to as "semi-convection" in astrophysics and "double-diffusive convection in the diffusive regime" in Earth and planetary sciences, occurs in stellar and planetary interiors in regions which are stable according to the…

Electronic transport properties for single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions or by means of scanning tunneling…

We study the settling of solid particles within a viscous incompressible fluid contained in a two-dimensional channel, where the mass density of the particles is slightly greater than that of the fluid. The fluid-structure interaction…

A ubiquitous observation in cell biology is that diffusion of macromolecules and organelles is anomalous, and a description simply based on the conventional diffusion equation with diffusion constants measured in dilute solution fails. This…

The transport of an infinitely thin, hard rod in a random, dense array of point obstacles is investigated by molecular dynamics simulations. Our model mimics the sterically hindered dynamics in dense needle liquids. The center-of-mass…

We use direct numerical simulation (DNS) to investigate mass transfer between liquid steel and slag during a metallurgical secondary refinement process through two reduced-scale water experiments, which reproduce the dynamics seen in an…

We present an efficient and robust numerical model for simulation of electrokinetic phenomena in porous networks over a wide range of applications including energy conversion, desalination, and lab-on-a-chip systems. Coupling between fluid…

The simulation of certain flow problems requires a means for modeling a free fluid surface; examples being viscoelastic die swell or fluid sloshing in tanks. In a finite-element context, this type of problem can, among many other options,…

Suspension flows are ubiquitous in nature (hemodynamics, subsurface fluid mechanics, etc.) and industrial applications (hydraulic fracturing, CO$_2$ storage, etc.). However, such flows are notoriously difficult to model due to the variety…