Kinetic Density Functional Theory of Freezing

Abstract

A theory of freezing of a dense hard sphere gas is presented. Starting from a revised Enskog theory, hydrodynamic equations that account for non-local variations in the density but local variations in the flow field are derived using a modified Chapman Enskog procedure. These hydrodynamic equations, which retain structural correlations, are shown to be effectively a time dependent density functional theory. The ability of this theory to capture the solid liquid phase transition is established through analysis and numerical simulations.

References in corpus (2)

• Derivation of the phase field crystal model for colloidal solidification
• Dynamical density functional theory for molecular and colloidal fluids: a microscopic approach to fluid mechanics

Cited by in corpus (9)

• Classical dynamical density functional theory: from fundamentals to applications
• Phase-field modeling of crystal nucleation in undercooled liquids -- A review
• Convergence Analysis for Second Order Accurate Convex Splitting Schemes for the Periodic Nonlocal Allen-Cahn and Cahn-Hilliard Equations
• Consistent Hydrodynamics for Phase Field Crystals
• Jerky active matter: a phase field crystal model with translational and orientational memory
• The Enskog--Vlasov equaton: A kinetic model describing gas, liquid, and solid
• Energy Stable Multigrid Method for Local and Non-local Hydrodynamic Models for Freezing
• Hydrodynamic theory of freezing: Nucleation and polycrystalline growth
• Long wavelength properties of phase field crystal models with second order dynamics