Dresden 2011 – wissenschaftliches Programm
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 47: Heterogeneous Nucleation and Microstructure Formation (related to SYMF, jointly with MM)
CPP 47.7: Vortrag
Freitag, 18. März 2011, 12:00–12:15, ZEU 160
DDFT calibration and investigation of an anisotropic phase-field crystal model — •Muhammad Ajmal Choudhary1, Daming Li1, Heike Emmerich1, and Löwen Hartmut2 — 1Lehrstuhl für Material- und Prozesssimulation, Universität Bayreuth, D-95440 Bayreuth, Germany — 2Institut für Theoretische Physik II, Heinrich-Heine-Universität Düsseldorf, D-40225 Düsseldorf, Germany
The anisotropic phase field crystal (APFC) model recently proposed by Prieler et al.[J. Phys.:Condens. Matter 21, 464110 (2009)] is derived from microscopic density functional theory for anisotropic particles with fixed orientation. Further its morphology diagram is explored to demonstrate its capacity to model structures beyond those captured by the simplistic phase field crystal (SPFC) equations originally introduced by Elder et al. [Phys. Rev. Lett. 88, 245701 (2002)]. In particular we investigated the influence of anisotropy and undercooling on the process of nucleation and microstructure formation from atomic to the microscale. To that end numerical simulations were performed varying those dimensionless parameters which represent anisotropy and undercooling in our APFC model. The results from these numerical simulations are summarized in terms of a morphology diagram of the stable state phase. These stable phases are also investigated with respect to their kinetics and characteristic morphological features.