Related papers: Molecular dynamics simulation of thermal transport…
Several model fluids in contact with planar, spherical, and cylindrical walls are investigated for small number densities within density functional theory. The dependence of the solid-fluid interfacial tension on the curvature of spherical…
Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all…
We study a solid plate plunging into or being withdrawn from a liquid bath, to highlight the fundamental difference between the local behavior of an advancing or a receding contact line, respectively. It is assumed that the liquid partially…
The theory of interfacial properties in liquid-liquid or liquid-vapour systems is nearly 200 years old. The advent of computational tools has greatly advanced the field, mainly through the use of Molecular Dynamics simulations. Despite the…
We have studied the breakup and subsequent fluid flow in very thin films of partially wetting liquid on solid substrates, using molecular dynamics simulations. The liquid is made of short chain molecules interacting with Lennard-Jones…
Recent molecular dynamics simulation methods have enabled thermal conductivity of bulk materials to be estimated. In these simulations, periodic boundary conditions are used to extend the system dimensions to the thermodynamic limit. Such a…
To facilitate the transition of quantum effects from the controlled laboratory environment to practical real-world applications, there is a pressing need for scalable platforms. One promising strategy involves integrating thermal vapors…
The object of this paper is to study the influence of dispersed micrometer size particles on turbulent heat transfer mechanisms in wall-bounded flows. The strategic target of the current research is to set up a methodology to size and…
Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…
The relaxation dynamics of the contact angle between a viscous liquid and a smooth substrate is studied at the nanoscale. Through atomic force microscopy measurements of polystyrene nanostripes we monitor simultaneously the temporal…
We use a lattice Boltzmann algorithm for liquid-gas coexistence to investigate the steady state interface profile of a droplet held between two shearing walls. The algorithm solves the hydrodynamic equations of motion for the system.…
Soft modulated phases have been shown to undergo complex morphological transitions, in which layer remodeling induced by mean and Gaussian curvatures plays a major role. This is the case in smectic films under thermal treatment, where focal…
In recent years, slippery surfaces have attracted significant interest due to their excellent liquid-repellent properties and their potential in diverse commercial applications. Such surfaces are prepared by coating functionalized solid…
We consider the physical setup of a three-dimensional fluid-structure interaction problem. A viscous compressible gas or liquid interacts with a nonlinear, visco-elastic, three-dimensional bulk solid. The latter is described by a hyperbolic…
We investigate the dynamical control of the heat flux exchanged in near-field regime between a membrane made with a phase-change material and a substrate when the temperature of the membrane is tuned around its critical value. We show that…
We present an explicit finite difference method to simulate the non-ideal multi-phase fluid flow. The local density and the momentum transport are modeled by the Navier-Stokes (N-S) equations and the pressure is computed by the Van der…
Technological and scientific advances have given rise to an era in which coherent quantum-mechanical phenomena can be probed and experimentally-realised over unprecedented timescales in condensed matter physics. In turn, scientific interest…
Although ubiquitous in nature and industrial processes, transport processes at the interface during evaporation and condensation are still poorly understood. Experiments have shown temperature discontinuities at the interface during…
Understanding interfacial heat transfer between polymers and water is crucial for the design of biomaterials, drug delivery platforms, and nanofluidic systems. In this study, we employed all atom molecular dynamics (MD) simulations to…
Under many conditions, macroscopic grains flow like a fluid; kinetic theory pred icts continuum equations of motion for this granular fluid. In order to test the theory, we perform event driven molecular simulations of a two-dimensional gas…