D. V. Alexandrov, I. O. Starodumov, E. V. Pavlyuk, A. A. Ivanov.
ABSTRACT:
The results of the computer simulation of the phase transition processes during the solidification of matter by the Phase-Field Crystal (PFC) method are presented. For this method, we present an unconditionally stable numerical algorithm for effective solving of nonlinear partial differential equations of high orders. Using this method, the computer program was created that allows large-scale modeling using supercomputers. However, the results of model calculations have shown that the method of PFC can lead to metastable and defective solutions, even in cases that cannot be predicted by field experiments or theoretical analysis. The article gives an analysis of the reasons for such decisions. The authors formulate a method for further modification of the method of the phase field crystal, which will allow us to take into account the revealed effects and avoid misinterpretation of the results of computer simulation.
KEY WORDS:
crystalline phase field, crystallization, crystalline structures, computer simulation, computational algorithm.