相关论文: Non-Equilibrium Molecular Dynamics Simulation of P…

In this study some properties of the methanol-water mixture such as diffusivity, density, viscosity, and hydrogen bonding were calculated at different temperatures and atmospheric pressure using molecular dynamics simulations (MDS). The…

Hydrodynamics is a general description for the flow of a fluid, and is expected to hold even for fundamental particles such as electrons when inter-particle interactions dominate. While various aspects of electron hydrodynamics were…

We study the Poiseuille flow of a soft-glassy material above the jamming point, where the material flows like a complex fluid with Herschel- Bulkley rheology. Microscopic plastic rearrangements and the emergence of their spatial…

Multiparticle collision dynamics (MPC), a particle-based mesoscale simulation technique for com- plex fluid, is widely employed in non-equilibrium simulations of soft matter systems. To maintain a defined thermodynamic state, thermalization…

We analyze the transport properties of a low density ensemble of identical macroscopic particles immersed in an active fluid. The particles are modeled as inelastic hard spheres (granular gas). The non-homogeneous active fluid is modeled by…

As more and more promising applications of magnetic nanoparticles in complicated environments are explored, their flow properties in porous media are of increasing interest. We here propose a hybrid approach based on the Multiparticle…

The present work is related to the study of the nitrogen gas flow through diverging micro and nano-channels. The direct simulation Monte-Carlo (DSMC) method has been used to study the flow. The Simplified Bernoulli Trials (SBT) collision…

Fluid phase equilibria involving nano-dispersed phases, where at least one of the coexisting phases is confined to a small volume, are investigated by molecular dynamics simulation. Complementing previous studies on nanoscopic droplets,…

Transport properties of concentrated electrolytes have been analyzed using classical molecular dynamics simulations with the algorithms and parameters typical of simulations describing complex electrokinetic phenomena. The electrical…

We consider a plane channel flow of an electrically conducting fluid which is driven by a mean pressure gradient in the presence of an applied magnetic field that is streamwise periodic with zero mean. Magnetic flux expulsion and the…

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,…

One of the most promising applications in nanoscience is the design of new materials to improve water permeability and selectivity of nanoporous membranes. Understanding the molecular architecture behind these fascinating structures and how…

Using Brownian dynamics simulations, we investigate the dynamics of colloids confined in two-dimensional narrow channels driven by a non-uniform force F(y). We considered linear-gradient, parabolic and delta-like driving-force profiles.…

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…

When particles suspended in a fluid are driven through a regular lattice of cylindrical obstacles, the particle motion is usually not simply in the direction of the force, and in the high Peclet number limit particle trajectories tend to…

Molecular dynamics (MD) simulations of equilibrium structures and flows of polar water, nonpolar argon and methane, and mixtures of water and methane confined by single - walled carbon nanotubes (SWCNTs) with different rectangular cross…

Confined suspensions of active particles show peculiar dynamics characterized by wall accumulation, as well as upstream swimming, centerline depletion and shear-trapping when a pressure-driven flow is imposed. We use theory and numerical…

Using both dynamical density functional theory and particle-resolved Brownian dynamics simulations, we explore the flow of two-dimensional colloidal solids and fluids driven through a linear channel with a geometric constriction. The flow…

A tutorial introduction to the technique of Molecular Dynamics (MD) is given, and some characteristic examples of applications are described. The purpose and scope of these simulations and the relation to other simulation methods is…

The behavior of particles driven through a narrow constriction is investigated in experiment and simulation. The system of particles adapts to the confining potentials and the interaction energies by a self-consistent arrangement of the…