相关论文: Molecular dynamics and continuum analyses of the e…
Due to evergrowing importance of understanding flow of bio-fluids in Lab-on-CD based systems, we investigate the flow behaviour of power-law fluids in the rotating electroosmotic flow through a polyelectrolyte grafted (soft) narrow channel.…
We use a coarse-grained molecular dynamics model to study the electrophoretic behaviour of flexible polyelectrolyte chains. We first characterize the static properties of the model with respect to the chain length, the polyelectrolyte…
We present models of surfaces of crystals in an environment where molecular beam epitaxy (MBE) and related methods of crystal growth like atomic layer epitaxy (ALE) can be performed. Besides detailed models of reconstructed (001) surfaces…
Roughness predominantly alters the near-wall region of turbulent flow while the outer layer remains similar. This makes it a prime candidate for the minimal-span channel, which only captures the near-wall flow by restricting the spanwise…
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…
The nucleation of gas hydrates is of great interest in flow assurance, global energy demand, and carbon capture and storage. A complex molecular understanding is critical to control hydrate nucleation and growth in the context of potential…
We perform numerical simulations of a turbulent channel flow over an hyper-elastic wall. In the fluid region the flow is governed by the incompressible Navier-Stokes (NS) equations, while the solid is a neo-Hookean material satisfying the…
Electron hydrodynamics arises when momentum-relaxing scattering processes are slow compared to momentum-conserving ones. While the microscopic details necessary to satisfy this condition are material-specific, experimentally accessible…
We investigate nanoflows through dilute disordered media by means of joint lattice Boltzmann (LB) and molecular dynamics (MD) simulations -- when the size of the obstacles is comparable to the size of the flowing particles -- for randomly…
The electrolyte (comprising of solute ions and solvents) flow-through the porous media is frequently encountered in nature or in many engineering applications, such as the electrochemical systems, manufacturing of composites, oil…
The recently published DeePMD model (https://github.com/deepmodeling/deepmd-kit), based on a deep neural network architecture, brings the hope of solving the time-scale issue which often prevents the application of first principle molecular…
The electrokinetic transport in a neutral system consists of an aqueous NaCl solution confined in a nanochannel with two similar parallel phosphorene walls, and is investigated for different black, blue, red, and green phosphorene…
Liquid-phase exfoliation, the use of a sheared liquid to delaminate graphite into few-layer graphene, is a promising technique for the large-scale production of graphene. But the micro and nanoscale fluid-structure processes controlling the…
A kinetic model for the elasto-plastic dynamics of a flowing jammed material is proposed, which takes the form of a non-local -- Boltzmann-like -- kinetic equation for the stress distribution function. Coarse-graining this equation yields a…
We study the interaction of a subaqueous dune like granular structure with a turbulent open channel flow experimentally using optical diagnostics in the Shields and Froude parameter space ($0.05{\leq}{\theta}{\leq}0.32$,…
Molecular dynamics simulations are used to investigate the influence of molecular-scale surface roughness on the slip behavior in thin liquid films. The slip length increases almost linearly with the shear rate for atomically smooth rigid…
Relations between the thermodynamics and dynamics of supercooled liquids approaching a glass transition have been proposed over many years. The potential energy surface of model liquids has been increasingly studied since it provides a…
The fundamental interactions between an edge dislocation and a random solid solution are studied by analyzing dislocation line roughness profiles obtained from molecular dynamics simulations of Fe0.70Ni0.11 Cr0.19 over a range of stresses…
The interfacial nature of the electric double layer (EDL) assumes that electrode surface morphology significantly impacts the EDL properties. Since molecular-scale roughness modifies the structure of EDL, it is expected to disturb the…
Soft-walled microchannels arise in many applications, ranging from organ-on-a-chip platforms to soft-robotic actuators. However, despite extensive research on their static and dynamic response, the potential failure of these devices has not…