Diffusion-Controlled Anisotropic Growth of Stable and Metastable Crystal Polymorphs in the Phase-Field Crystal Model
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© 2009 American Physical Society (APS). http://www.aps.org/
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2009
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Mcode
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Language
en
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035702/1-4
Series
Physical Review Letters, Volume 103, Issue 3
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.Description
Keywords
phase-field crystals, metal, growth
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Citation
Tegze, G. & Gránásy, L. & Tóth, G. I. & Podmaniczky, F. & Jaatinen, A. & Ala-Nissilä, Tapio & Pusztai, T. 2009. Diffusion-Controlled Anisotropic Growth of Stable and Metastable Crystal Polymorphs in the Phase-Field Crystal Model. Physical Review Letters. Volume 103, Issue 3. P. 035702/1-4. ISSN 0031-9007 (printed). DOI: 10.1103/physrevlett.103.035702.