Nonlinear hydrodynamic theory of crystallization

J Phys Condens Matter. 2014 Feb 5;26(5):055001. doi: 10.1088/0953-8984/26/5/055001. Epub 2013 Dec 12.

Abstract

We present an isothermal fluctuating nonlinear hydrodynamic theory of crystallization in molecular liquids. A dynamic coarse-graining technique is used to derive the velocity field, a phenomenology which allows a direct coupling between the free energy functional of the classical density functional theory and the Navier-Stokes equation. In contrast to the Ginzburg-Landau type amplitude theories, the dynamic response to elastic deformations is described by parameter-free kinetic equations. Employing our approach to the free energy functional of the phase-field crystal model, we recover the classical spectrum for the phonons and the steady-state growth fronts. The capillary wave spectrum of the equilibrium crystal-liquid interface is in good qualitative agreement with the molecular dynamics simulations.

Publication types

  • Research Support, Non-U.S. Gov't