Freezing ofHe4and its liquid-solid interface from density functional theory

Equilibrium gas–liquid–solid contact angle from density-functional theory

We investigate the equilibrium of a fluid in contact with a solid boundary through a density-functional theory. Depending on the conditions, the fluid can be in one phase, gas or liquid, or two phases, while the wall induces an external field acting on the fluid particles. We first examine the case of a liquid film in contact with the wall. We construct bifurcation diagrams for the film thickne...

Density functional theory in the solid state.

Density functional theory (DFT) has been used in many fields of the physical sciences, but none so successfully as in the solid state. From its origins in condensed matter physics, it has expanded into materials science, high-pressure physics and mineralogy, solid-state chemistry and more, powering entire computational subdisciplines. Modern DFT simulation codes can calculate a vast range of st...

Density Functional Model of Anchoring Energy at a Liquid Crystalline Polymer – Solid Interface

A statistical mechanical expression for the anisotropic surface (anchoring) en~ ergy of a nematic polymer melt is derived m the molecular field approximation using the density functional approach It is shown that this

Density functional theory for the freezing of soft-core fluids.

We present a simple density functional theory for the solid phases of systems of particles interacting via soft-core potentials. In particular, we apply the theory to particles interacting via repulsive point Yukawa and Gaussian pair potentials. We find qualitative agreement with the established phase diagrams for these systems. The theory is able to account for the bcc-fcc solid transitions of...

Liquid-solid interface inertia