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 down to atomic scales. However, concentration gradients can produce flow without viscous dissipation that is inconsistent with the commonly used Navier slip con...

Various particle methods are widely used to model dynamics of complex media. In this work molecular dynamics and dissipative particles dynamics are applied to model blood flows composed of plasma and erythrocytes. The properties of the homogeneous particle fluid are studied. Capillary flows with erythrocytes are investigated.

The transport phenomena of Lennard-Jones molecules through a structural bottleneck driven by an external force are investigated by molecular dynamics simulations. We observe two distinct molecular flow regimes distinguished by a critical external force Fc and find scaling behaviors between external forces and flow rates. Below the threshold Fc, molecules are essentially stuck in the bottleneck ...

Driving an inertial many-body system out of equilibrium generates complex dynamics due to memory effects and the intricate relationships between external driving force, internal forces, transport effects. Understanding underlying physics is challenging often requires carrying case-by-case analysis. To systematically study interplay all types forces that contribute dynamics, a method generate pr...

This paper reviews the models for the fluid flow in micro/nano channels developed previously. These models include the full MDS (molecular dynamics simulation) model, the quasi-continuum model, the modified Navier-Stokes equation model, the dissipative particle dynamics method, the lattice Boltzman method, the multiscale hybrid model and the flow factor approach model. It was pointed out that m...

The function of proteins is tightly related to their interactions with other molecules. The study of such interactions often requires to track the molecules that enter or exit specific regions of the proteins. This is investigated with molecular dynamics simulations, producing the trajectories of thousands of water molecules during hundreds of thousands of time steps. To ease the exploration of...

modeling the heat and mass transport in micro channel is being used extensively in researches and industrial applications. the aim is optimizing fuel cell designs before building a prototype for engineering application. in this study, numerical, three-dimensional, single phase computational fluid dynamics model of a proton exchange membrane fuel cell with both the gas distribution flow channels...

Since the renewable resources of energy have become extremely important, especially wind energy, scientists have begun to modify the design of the wind turbine components, mainly rotor blades. Aerodynamic design considered a major research field related to power production of a small horizontal wind turbine, especially in low wind speed locations. This study displays an approach to the selectio...