title: Mode expansion for the density profiles of crystal-fluid interfaces: hard spheres as a test case.
abstract: We present a technique for analyzing the full three-dimensional density profiles of planar crystal-fluid interfaces in terms of density modes. These density modes can also be related to crystallinity order parameter profiles which are used in coarse-grained, phase field type models of the statics and dynamics of crystal-fluid interfaces and are an alternative to crystallinity order parameters extracted from simulations using local crystallinity criteria. We illustrate our results for the hard sphere system using finely resolved, three-dimensional density profiles from a density functional theory of fundamental measure type.
authors.affiliation: Institut für Physik, Johannes Gutenberg-Universität Mainz, Mainz, Germany. oettelm@uni-mainz.de
authors.forename: M
authors.initials: M
authors.lastname: Oettel