1203.3756 (M. Oettel)

Mode expansion for the density profile of crystal-fluid interfaces: Hard
spheres as a test case    [PDF]

M. Oettel

We present a technique for analyzing the full three-dimensional density profiles of a planar crystal-fluid interface 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 density functional theory of fundamental measure type.

View original: http://arxiv.org/abs/1203.3756