Particle Conservation in Dynamical Density Functional Theory

Abstract

We present the exact adiabatic theory for the dynamics of the inhomogeneous density distribution of a classical fluid. Erroneous particle number fluctuations of dynamical density functional theory are absent, both for canonical and grand canonical initial conditions. We obtain the canonical free energy functional, which yields the adiabatic interparticle forces of overdamped Brownian motion. Using an exact and one of the most advanced approximate hard core free energy functionals, we obtain excellent agreement with simulations. The theory applies to finite systems in and out of equilibrium.

7 pages, 2 figures. Accepted in Journal of Physics: Condensed Matter

References in corpus (3)

• Density functional theory for hard-sphere mixtures: the White-Bear version Mark II
• Non-equilibrium sedimentation of colloids on the particle scale
• Superadiabatic forces in Brownian many-body dynamics

Cited by in corpus (16)

• Classical dynamical density functional theory: from fundamentals to applications
• Power functional theory for many-body dynamics
• Velocity gradient power functional for Brownian dynamics
• Why Noether's Theorem applies to Statistical Mechanics
• Perspective: How to overcome dynamical density functional theory
• Perspective: New directions in dynamical density functional theory
• Universality in Driven and Equilibrium Hard Sphere Liquid Dynamics
• Dynamic Pair Correlations and Superadiabatic Forces in a Dense Brownian Liquid
• Superadiabatic forces in the dynamics of the one-dimensional Gaussian core model
• Dynamic density functional theory for drying colloidal suspensions: Comparison of hard-sphere free-energy functionals
• Particle-conserving dynamics on the single-particle level
• Classical density functional theory for a two-dimensional isotropic ferrogel model with labeled particles
• Dynamic Decay and Superadiabatic Forces in the van Hove Dynamics of Bulk Hard Sphere Fluids
• Dynamical properties of heterogeneous nucleation of parallel hard squares
• How to distinguish between indistinguishable particles
• Master equations for Wigner functions with spontaneous collapse and their relation to thermodynamic irreversibility