Estimation of Solid-liquid Interfacial Energy from Gibbs-Thomson Effect: A Molecular Dynamics Study

Molecular Dynamics Simulation of Interfacial Tension of Ultra-thin Liquid Films on a Solid Surface

The effect of wall proximity on the interfacial tension of ultra-thin liquid films of Lennard-Jones (12,6) fluid has been studied using Molecular Dynamics Simulation. The wall’s presence can potentially affect drop-wise condensation and other phase change phenomena such as boiling. Initially the LennardJones atoms are placed near a solid wall with FCC lattice structure in a doubly periodic box....

Solid-liquid interfacial premelting.

We report the observation of a premelting transition at chemically sharp solid-liquid interfaces using molecular-dynamics simulations. The transition is observed in the solid-Al-liquid-Pb system and involves the formation of a liquid interfacial film of Al with a width that grows logarithmically as the bulk melting temperature is approached from below, consistent with current theories of premel...

Gibbs energy minimization in gas + liquid + solid systems

An algorithm is described for the calculation of equilibrium compositions of multiple highly nonideal liquid and solid solutions, as well as pure stoichiometric phases, coexisting with a mixture of ideal gas species at fixed temperature and pressure. The total Gibbs free energy of the system is approximated as a quadratic function of the compositions of the gas phase and stable condensed phases...

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...

Solid-liquid interfacial free energy out of equilibrium