Berlin 2012 – wissenschaftliches Programm
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MM: Fachverband Metall- und Materialphysik
MM 17: Poster Session
MM 17.62: Poster
Montag, 26. März 2012, 17:00–19:00, Poster B
Modeling the crystal growth phenomena on atomistic scale in single crystals and binary alloys — •Muhammad Ajmal Choudhary1, Martin Oettel2, and Heike Emmerich1 — 1Lehrstuhl für Material- und Prozesssimulation, Universität Bayreuth, D-95440 Bayreuth, Germany — 2Institut für physics, Johannes Gutenberg-Universität, D-55099 Mainz, Germany
The phase field crystal (PFC) technique is a novel approach for modeling crystal growth phenomena with atomistic resolution. Here we demonstrate the derivation of an anisotropic phase-field crystal (APFC) model, recently elaborated and investigated by M A Choudhary et al. [J. Phys.: Condens. Matter 23, 265005 (2011)] from microscopic density functional theory for anisotropic particles. We explored its crystal morphologies to demonstrate the influence of anisotropy and undercooling on nucleation and microstructure formation process. These stable phases are also investigated with respect to their characteristic morphological features. To describe the equilibrium properties of eutectic binary alloys in two dimensions, we develop a simple binary PFC model based on Elder et al. [Phy. Rev. B 75, 064107 (2007)]. We implement it as a real space dynamic code in two dimension. We analyze properties of metastable nuclei in the liquid-solid co-existence region and just below the eutectic point using the technique of finite system size phase transitions [Phy. Rev. E 79, 061104 (2009)]. Of particular interest is the growth of a secondary solid phase on a primary nucleus occurring during eutectic solidification.