91福利

Calculation of Interfacial Free Energies for Two-Phase Systems via Capillary Waves

The Interfacial free energy for two-phase systems,?especially?in the context of a solid and a liquid phase, is useful to determine because it describes how quickly?the crystal will grow into the liquid phase and what structure it will take. This is useful for many applications, for example where stopping crystal nucleation altogether is beneficial, such as cholesterol or ice.

This work examines how the free energy can be calculated for a solid-liquid interface, achieved through the measurement of small fluctuations of the local interface position. Validation of the method has been performed on an equilibrated Lennard-Jones system at its solid-liquid coexistence temperature. I shall talk largely about how the method has been applied, as well as discussing current and future systems of interest.