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

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

2012-03-16

arxiv.org/abs/1203.3756v1

Physics

Condensed Matter

Soft Condensed Matter

submitted for the special issue of the CODEF III conference

Scientific paper

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.

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