Mode expansion for the density profiles of crystal–fluid interfaces: hard spheres as a test case

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.

• Publication year

  2012

• Venue

  Journal of Physics: Condensed Matter

• Publication date

  2012-03-16

• Fields of study

  Medicine, Materials Science, Physics

• Identifiers
  DOI 10.1088/0953-8984/24/46/464124arXiv 1203.3756PMID 23114279
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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