Diffusion-Controlled Anisotropic Growth of Stable and Metastable Crystal Polymorphs in the Phase-Field Crystal Model

G. Tegze, L. Gránásy, G.I. Tóth, F. Podmaniczky, A. Jaatinen, T. Ala-Nissilä, T. Pusztai

Research output: Contribution to journalArticleScientificpeer-review

79 Citations (Scopus)
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Abstract

We use a simple density functional approach on a diffusional time scale, to address freezing to the body-centered cubic (bcc), hexagonal close-packed (hcp), and face-centered cubic (fcc) structures. We observe faceted equilibrium shapes and diffusion-controlled layerwise crystal growth consistent with two-dimensional nucleation. The predicted growth anisotropies are discussed in relation with results from experiment and atomistic simulations. We also demonstrate that varying the lattice constant of a simple cubic substrate, one can tune the epitaxially growing body-centered tetragonal structure between bcc and fcc, and observe a Mullins-Sekerka–Asaro-Tiller-Grinfeld-type instability.
Original languageEnglish
Article number035702
Pages (from-to)1-4
JournalPhysical Review Letters
Volume103
Issue number3
DOIs
Publication statusPublished - 2009
MoE publication typeA1 Journal article-refereed

Keywords

  • growth
  • metal
  • phase-field crystal

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