Related papers: Molecular Simulation of Thermo-osmotic slip
Interfaces between two fluids are ubiquitous and of special importance for industrial applications, e.g., stabilisation of emulsions. The dynamics of fluid-fluid interfaces is difficult to study because these interfaces are usually…
Internal recirculation in a moving droplet plays an important role in several droplet-based microfluidic devices as it enhances mixing, chemical reaction and heat transfer. The occurrence of fluid slip at the wall, which becomes prominent…
(Abbreviated) In this paper we report on the development of a multiscale method for simulating complex liquid-liquid systems such as water in contact with oil containing asphaltenes. We consider simulations where water drops covered with…
Hydrophobic textured surfaces are studied for their low wettability and their capacity to create a 'slippery' fluid on the surface during lubrication. To this end, the flow between two parallel surfaces is numerically addressed by computing…
Results of recent large-scale molecular dynamics simulations of dislocation-mediated solid plasticity are campared with predictions of the statistical thermodynamic theory of these phenomena. These computational and theoretical analyses are…
A general adsorption model is developed to describe the interactions between near-wall fluid molecules and solid surface. This model serves as a framework for the theoretical modelling of the boundary slip phenomena. Based on this…
Physics students now have access to interactive molecular dynamics simulations that can model and animate the motions of hundreds of particles, such as noble gas atoms, that attract each other weakly at short distances but repel strongly…
The effect of temperature on friction and slip at the liquid-solid interface has attracted attention over the last twenty years, both numerically and experimentally. However, the role of temperature on slip close to the glass transition has…
Solids facing a plasma are a common situation in many astrophysical systems and laboratory setups. Moreover, many plasma technology applications rely on the control of the plasma-surface interaction. However, presently often a fundamental…
Solid-On-Solid (SOS) computer simulations are employed to investigate the sublimation of surfaces. We distinguish three sublimation regimes: layer-by-layer sublimation, free step flow and hindered step flow. The sublimation regime is…
We model a slip boundary condition at fluid-solid interface of an arbitrary geometry in smoothed particle hydrodynamics and smoothed dissipative particle dynamics simulations. Under an assumption of linear profile of the tangential velocity…
A new computational method is presented to resolve hydrodynamic interactions acting on solid particles immersed in incompressible host fluids. In this method, boundaries between solid particles and host fluids are replaced with a continuous…
Spreading of different types of fluid on substrates under an impressed force is an interesting problem. Here we study spreading of four fluids, having different hydrophilicity and viscosity on two substrates - glass and perspex, under an…
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…
Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…
A new method is presented for mesoscopic simulations of particle dispersions in liquid crystal solvents. It allows efficient first-principle simulations of the dispersions involving many particles with many-body interactions mediated by the…
The paper considers the dynamics of the spreading liquid droplets after impact on a solid surface. The dynamics of a drop falling on a solid surface is shown using numerical simulation based on the solution of 2D and 3D Navier-Stokes…
The structural organization of liquids near solid interfaces profoundly influences phenomena such as wettability, nanofluidic transport, and interfacial heat transfer. This study introduces the Interfacial Layering Oscillator Model (ILOM),…
The application of a temperature gradient along a fluid-solid interface generates stresses in the fluid causing "thermo-osmotic" flow. Much of the understanding of this phenomenon is based on Derjaguin's work relating thermo-osmotic flows…
To predict flow behavior of entangled polymer melt, we have developed multiscale simulation composed of Lagrangian fluid particle simulation and coarse-grained polymer dynamics simulation. We have introduced a particle deformation in the…