科研之友
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摘要
A number of dynamic density functional theories (dDFTs) have been developed to describe the dynamics of the one-particle density of atomic fluids. We review an approach that accounts for particle advection by a flowing solvent, and make further approximations using a locally advected phase-field-crystal model which in turn is coupled with a Navier-Stokes equation. In particular we apply the approach to Brownian particles (e.g., coarse grained polymer coils) in a solvent flowing around various obstacles (e.g., colloidal particles). We compare the bow wave in the density distribution of particles in front of the obstacles as well as the wake behind it. The results qualitatively agree with full dDFT results and simulations based on the underlying Brownian dynamics. The much lower computational cost of the phase field crystal approach provides an efficient way to couple fluid flow around macroscopic fixed or moving particle with interactions of particles in the solvent.
- 出版日期2011-8-25
