Dynamical density functional theory for dense atomic liquids

6 Dynamical density functional theory for dense atomic liquids

Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium density functional theory. This means that, given a reliable equilibrium free energy functional, the correct equilibrium fluid density profile is guaranteed. We ...

Markovian approximation and dynamic density functional theory for classical dense liquids.

A kinetic description of dense liquids is one of the-long-standing problems in statistical mechanics. We apply here a well-known Markovian approximation to the Mori-Fujisaka nonlinear generalized Langevin equation. This enables us to derive systematically and without further approximations the Smoluchowski equation for an interacting many-body system and the dynamic density functional theory (D...

Dynamical density functional theory for microswimmers.

Dynamical density functional theory (DDFT) has been successfully derived and applied to describe on one hand passive colloidal suspensions, including hydrodynamic interactions between individual particles. On the other hand, active "dry" crowds of self-propelled particles have been characterized using DDFT. Here, we go one essential step further and combine these two approaches. We establish a ...

Classical Density Functional Theory of Ionic Liquids

Multi-species dynamical density functional theory.

We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-different...