Diffusion-Controlled Anisotropic Growth of Stable and Metastable Crystal Polymorphs in the Phase-Field Crystal Model
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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en
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Physical Review Letters, Volume 103, issue 3, pp. 1-4
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
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Tegze, G, Gránásy, L, Tóth, G I, Podmaniczky, F, Jaatinen, A, Ala-Nissilä, T & Pusztai, T 2009, 'Diffusion-Controlled Anisotropic Growth of Stable and Metastable Crystal Polymorphs in the Phase-Field Crystal Model', Physical Review Letters, vol. 103, no. 3, 035702, pp. 1-4. https://doi.org/10.1103/PhysRevLett.103.035702