The melting behavior of faceted particles embedded in the solid state: A family of Wulff shapes

We consider the melting behavior of nanoscale particles embedded in a crystalline solid. Calculations of three-dimensional shapes following from a minimization of interfacial free energy show that melt configurations depend on the melt volume fraction, particle shape, and the relative energy densities of particle interfaces. Five members of the family of Wulff shapes with cubic symmetry containing only {111} and {100} facets are studied in detail. Although general trends are noted, the melting behavior is found to be complex and strongly dependent on particle shape. We assume that the melt volume is located in one contiguous region. In such a case, the driving force to replace high-energy facets decreases with the relative energy of those facets. C 2006 Springer Science + Business Media, Inc.