相关论文: Molecular simulation of fluid dynamics on the nano…
(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…
We show that molecular dynamics simulations can furnish useful boundary conditions at a solid surface bounding a two-component fluid. In contrast to some previous reports, convective-diffusive flow is consistent with continuum equations…
Dynamics of single flexible non-Brownian fibers, tumbling in a Poiseuille flow between two parallel solid plane walls, is studied with the use of the hydromultipole numerical code, based on the multipole expansion of the Stokes equations,…
We study the deformation and dynamics of droplets in time-dependent flows using 3D numerical simulations of two immiscible fluids based on the lattice Boltzmann model (LBM). Analytical models are available in the literature, which assume…
Particle Image Velocimetry (PIV) and Particle Tracking Velocimetry (PTV) have been employed to investigate the dynamics of finite-size spherical particles, slightly heavier than the carrier fluid, in a horizontal turbulent square duct flow.…
Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in the canonical ensemble. Analogous simulations are conducted…
Microflows are intensively used for investigating and controlling the dynamics of particles, including soft particles such as biological cells and capsules. A classic result is the tank-treading motion of elliptically deformed soft…
We study single-phase flow in a fractured porous medium at a macroscopic scale that allows to model fractures individually. The flow is governed by Darcy's law in both fractures and porous matrix. We derive a new mixed-dimensional model,…
Single fluid porous medium systems are typically modeled at an averaged length scale termed the macroscale using Darcy's law. Standard approaches for modeling macroscale single fluid phase flow of non-Newtonian fluids extend Darcy's law,…
In this article, two novel numerical methods have been developed for simulating fluid/porous particle interactions in three-dimensional (3D) Stokes flow. The Brinkman-Debye-Bueche model is adopted for the fluid flow inside the porous…
We use molecular dynamics simulations to study the dynamics of Janus particles, micro- or nanoparticles which are not spherically symmetric, in the uniform flow of a simple liquid. In particular we consider spheres with an asymmetry in the…
We study the three-dimensional dynamics of a spherical microswimmer in cylindrical Poiseuille flow which can be mapped onto a Hamiltonian system. Swinging and tumbling trajectories are identified. In 2D they are equivalent to oscillating…
Using numerical simulations, the onset of Poiseuille flow in a confined soft glass is investigated. Starting from the quiescent state, steady flow sets in at a time scale which increases with a decrease in applied forcing. At this onset…
Deposition of smaller granular particles on a larger nucleus particle has been simulated in two-dimension using molecular dynamics method. Variation of sequences of velocity of deposited particles is conducted and reported in this work. The…
Droplet motion over a surface with wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics. GROMACS and Visual Molecular Dynamics (VMD) were used for simulation and intermittent…
Graphene-based membranes have been investigated as promising candidates for water filtration and gas separation applications. Experimental evidences have shown that graphene oxide can be impermeable to liquids, vapors and gases, while…
We study the flow of a micropolar fluid in a thin domain with microstructure, i.e. a thin domain with thickness $\varepsilon$ which is perforated by periodically distributed solid cylinders of size $a_\varepsilon$. A main feature of this…
Various experiments have found a boundary slip in hydrophobic microchannel flows, but a consistent understanding of the results is still lacking. While Molecular Dynamics (MD) simulations cannot reach the low shear rates and large system…
In the field of nanoconfined fluids, there are striking examples of deformation/transport coupling in which mechanical solicitation of the confining host and dynamics of the confined fluid impact each other. While this intriguing behavior…
We present molecular dynamics simulations of mono- or bidisperse inelastic granular gases driven by vibrating walls, in two dimensions (without gravity). Because of the energy injection at the boundaries, a situation often met…