Ginzburg-Landau theory of the liquid-solid interface and nucleation for hard-spheres

TL;DR

This paper develops a Ginzburg-Landau free energy functional for hard-spheres using Density Functional Theory, analyzing liquid-solid interfaces and nucleation, with results aligning with simulations and classical nucleation theory.

Contribution

It introduces a novel Ginzburg-Landau functional for hard-spheres based on Fundamental Measure Theory, enabling detailed study of interfaces and nucleation phenomena.

Findings

Surface tension matches simulation data

Solid cluster properties align with classical nucleation theory

Functional effectively models liquid-solid interface phenomena

Abstract

The Ginzburg-Landau free energy functional for hard-spheres is constructed using the Fundamental Measure Theory approach to Density Functional Theory as a starting point. The functional is used to study the liquid-fcc solid planer interface and the properties of small solid clusters nucleating within a liquid. The surface tension for planer interfaces agrees well with simulation and it is found that the properties of the solid clusters are consistent with classical nucleation theory.