Orientation-dependent surface tension functions for surface energy minimizing calculations

TitleOrientation-dependent surface tension functions for surface energy minimizing calculations
Publication TypeJournal Article
Year of Publication2005
AuthorsSiem, EJ, Carter, WCraig
JournalJournal of Materials Science
Pagination3107 - 3113
Date Published2005/06//

Previous numerical methods that calculate equilibrium particle shape to study thermodynamic and kinetic processes depend on interfacial (surface) free energy functions gamma((n) over cap) that have cubic symmetry and thus produce Wulff shapes W of cubic symmetry. This work introduces a construction yielding the minimal surface energy density gamma(convex)(W) that can be determined for any W. Each gamma((n) over cap) that belongs to the equivalence class gamma(W) bounded by gamma(convex)(W) can be used in an energy-minimizing calculation that depends only on W. For practical numerical calculations, this work gives two methods taking directional distance from specified orientation minima as a parameter to produce analytic forms of gamma((n) over cap) giving W as the equilibrium shape for (an otherwise unconstrained) fixed volume. Included are several two- and three-dimensional examples that demonstrate the application and utility of the model gamma((n) over cap) functions. (c) 2005 Springer Science + Business Media, Inc.