DDFT calibration and investigation of an anisotropic phase-field crystal model

摘要

The anisotropic phase-field crystal model recently proposed and used byPrieler et al. [J. Phys.: Condens. Matter 21, 464110 (2009)] is derived frommicroscopic density functional theory for anisotropic particles with fixedorientation. Further its morphology diagram is explored. In particular weinvestigated the influence of anisotropy and undercooling on the process ofnucleation and microstructure formation from atomic to the microscale. To thatend numerical simulations were performed varying those dimensionless parameterswhich represent anisotropy and undercooling in our anisotropic phase-fieldcrystal (APFC) model. The results from these numerical simulations aresummarized in terms of a morphology diagram of the stable state phase. Thesestable phases are also investigated with respect to their kinetics andcharacteristic morphological features.