Solid-liquid interfacial free energy out of equilibrium

The solid-liquid interfacial free energy out of equilibrium

The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equilibrium conditions at which the interfacial free energy is ill-defined. Here we draw a connection between the atomistic description of a diffus...

The solid-liquid interfacial free energy out of equilibrium Supplementary information

Phase Coexistence in Clusters

An analytical cluster wetting model is developed, based on minimization of an expression for the free energy, for solid-liquid equilibrium coexistence states in clusters. For given materials’ characteristic interfacial energies of the solid and liquid phases, the model relates the fraction of the solid-phase area wetted by the liquid to the volume fraction of the two phases. Equilibrium coexist...

Molecular dynamics calculation of thermodynamic properties of iron solidification

The aim of this study is to identify the best available inter-atomic potentials for molecular dynamics (MD) calculation of solidification of iron and then to use the best potential to calculate thermodynamic properties such as equilibrium melting temperature, enthalpy, heat capacity and solid-liquid interfacial free energy. Our study reveals that embedded atom method (EAM) potential developed b...

Thin Films in Partial Wetting: Internal Selection of Contact-Line Dynamics.

When a liquid touches a solid surface, it spreads to minimize the system's energy. The classic thin-film model describes the spreading as an interplay between gravity, capillarity, and viscous forces, but it cannot see an end to this process as it does not account for the nonhydrodynamic liquid-solid interactions. While these interactions are important only close to the contact line, where the ...