Abstract
Modeling of crystallization process by the phase field crystal method (PFC) represents one of the important directions of modern computational materials science. This method makes it possible to research the formation of stable or metastable crystal structures. In this paper, we study the effect of computational domain size on the crystal pattern formation obtained as a result of computer simulation by the PFC method. In the current report, we show that if the size of a computational domain is changed, the result of modeling may be a structure in metastable phase instead of pure stable state. The authors present a possible theoretical justification for the observed effect and provide explanations on the possible modification of the PFC method to account for this phenomenon.
Highlights
The original phase field crystal method (PFC) model has been developed in a parabolic form [1,2,3]
We study the effect of computational domain size on the crystal pattern formation obtained as a result of computer simulation by the PFC method
We show that if the size of a computational domain is changed, the result of modeling may be a structure in metastable phase instead of pure stable state
Summary
Series: Materials Science and Engineerin1g23149526(72809107) 012008 doi:10.1088/1757-899X/192/1/012008. Influence of computational domain size on the pattern formation of the phase field crystals Ilya Starodumov, Peter Galenko, Dmitri Alexandrov and Nikolai Kropotin
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