Related papers: Molecular Simulation of Thermo-osmotic slip
In this work, we present a method for simulating the large-scale deformation and crumpling of thin, elastoplastic sheets. Motivated by the physical behavior of thin sheets during crumpling, two different formulations of the governing…
We propose a model to study symmetric binary fluids, based in the mesoscopic molecular simulation technique known as multiparticle collision, where space and state variables are continuous while time is discrete. We include a repulsion rule…
Over times shorter than that required for relaxation of enthalpy, a liquid can exhibit striking heterogeneities. The picture of these heterogeneities is complex with transient patches of rigidity, irregular yet persistent, intersected by…
Molecular dynamics simulations are used to study fluidization of a vertically vibrated, three-dimensional shallow granular layer. As the container acceleration is increased above g, the granular temperature and root mean square particle…
Colliding flows are a commonly used scenario for the formation of molecular clouds in numerical simulations. Due to the thermal instability of the warm neutral medium, turbulence is produced by cooling. We carry out a two-dimensional…
Deformed droplets are ubiquitous in various industrial applications, such as inkjet printing, lab-on-a-chip devices, and spray cooling, and can fundamentally affect the involved applications both favorably and unfavorably. Here, we employ…
Numerical simulation of fluids plays an essential role in modeling many physical phenomena, such as weather, climate, aerodynamics and plasma physics. Fluids are well described by the Navier-Stokes equations, but solving these equations at…
This work aims to describe a mathematical model and a numerical method to simulate a thin anisotropic composite membrane moving and deforming in 3D space under a dynamic load of an arbitrary time and space profile. The model and the method…
We study the transport and the relaxation properties of a molecular supercooled liquid by molecular-dynamics numerical simulations. The focus is on the translational motion. Jump motion is detected. At lower temperature the Stokes-Einstein…
We show that an electric field parallel to an electrically neutral surface can generate flow of electrolytic mixtures in small channels. We term this solvo-osmotic flow, since the flow is induced by the asymmetric preferential solvation of…
Condensation is an important aspect of many flow applications due to the universal presence of humidity in the air at ambient conditions. For direct numerical simulations of such flows, simulating the gas phase as a mixture characterized by…
The mechanical properties of thermally excited two-dimensional crystalline membranes can depend dramatically on their geometry and topology. A particularly relevant example is the effect on the crumpling transition of holes in the membrane.…
We develop an approach to liquid thermodynamics based on collective modes. We perform extensive molecular dynamics simulations of noble, molecular and metallic liquids and provide the direct evidence that liquid energy and specific heat are…
In a companion study \cite{patterson2020computing2D}, we present a numerical method for simulating 2D viscous flow through an open compliant closed channel, drive by pressure gradient. We consider the highly viscous regime, where fluid…
We derive general depth-integrated model equations for overland flows featuring the evolution of suspended sediment that may be eroded from or deposited onto the underlying topography ('morphodynamics'). The resulting equations include…
Recent developments in lipid membrane models for simulations are reviewed. To reduce computational costs, various coarse-grained molecular models have been proposed. Among them, implicit solvent (solvent-free) molecular models are…
The accurate and robust simulation of transcritical real-fluid effects is crucial for many engineering applications, such as fuel injection in internal combustion engines, rocket engines and gas turbines. For example, in diesel engines, the…
Nanofluidics is an emerging field offering innovative solutions for energy harvesting and desalination. The efficiency of these applications depends strongly on liquid-solid slip, arising from a favorable ratio between viscosity and…
This paper exploits the theory of geometric gradient flows to introduce an alternative regularization of the thin-film equation. The solution properties of this regularization are investigated via a sequence of numerical simulations whose…
Models and simulations of the flow of thin films of fluids have many important applications in industrial and natural processes. We consider the motion of a thin layer of an incompressible, Newtonian fluid over an arbitrary solid,…