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Updated: Jun 1, 2026
Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
DDFT calibration and investigation of an anisotropic phase-field crystal model
Muhammad Ajmal Choudhary1, Daming Li, Heike Emmerich
1Lehrstuhl für Material- und Prozesssimulation, Universität Bayreuth, D-95440 Bayreuth, Germany. ajmal.choudhary@uni-bayreuth.de
Abstract:
The anisotropic phase-field crystal model recently proposed and used by Prieler et al (2009 J. Phys.: Condens. Matter 21 464110) is derived from microscopic density functional theory for anisotropic particles with fixed orientation. Its morphology diagram is also explored. In particular we have investigated the influence of anisotropy and undercooling on the process of nucleation and microstructure formation from the atomic to the microscale. To that end numerical simulations were performed varying those dimensionless parameters which represent anisotropy and undercooling in our anisotropic phase-field crystal model. The results from these numerical simulations are summarized in terms of a morphology diagram of the stable state phases. These stable phases are also investigated with respect to their kinetics and characteristic morphological features.
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