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Title: Diffusion-controlled anisotropic growth of stable and metastable crystal polymorphs in the phase-field crystal model
Authors: Tegze, G
Granasy, L
Toth, GI
Podmaniczky, F
Jaatinen, A
Ala-Nissila, T
Pusztai, T
Publication Date: 2009
Publisher: American Physical Society
Citation: Physical Review Letters 103(3): 035702, Jul 2009
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: The official published version of the article can be accessed from the link below - Copyright @ 2009 APS
Sponsorship: This work has been supported by the EU FP7 Collaborative Project ENSEMBLE under Grant Agreement NMP4-SL-2008-213669, the Hungarian Academy of Sciences under contract OTKA-K-62588, the Academy of Finland via its COMP CoE grant, and by Tekes via its MASIT33 project. A. J. acknowledges financial support from the Finnish Academy of Science and Letters. T. P. acknowledges support from the Bolyai Ja´nos Grant.
ISSN: 0031-9007
Appears in Collections:Brunel Centre for Advanced Solidification Technology (BCAST)

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