The solid-melt interfacial free energy is a primary parameter governing the kinetics and morphology of crystal growth and nucleation, as well as in the wetting of a solid surface by a fluid. In this work we focus on the calculation of γ_(sl) from atomistic computer simulation. After briefly reviewing our work and that of others on the development of cleaving and capillary fluctuation methods (CFM) for systems ranging from idealized models (hard-spheres, Lennard-Jones) to more realistic models of metals and molecular materials, we discuss our recent efforts to determine γ_(sl) through the integration of a Gibbs-Cahn adsorption equation. As a test, we apply the Gibbs-Cahn method to two model systems: the Lennard-Jones crystal-melt interface and a hard-sphere fluid at a hard wall. The values for γ_(sl) so obtained are in good agreement with previous calculations by cleaving and CFM, but were obtained with significantly less computational effort.
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