Phase-field crystal modeling and classical density functional theory of freezing

摘要: In this paper the relationship between the classical density functional theory of freezing and phase-field modeling is examined. More specifically a connection is made between the correlation functions that enter density functional theory and the free energy functionals used in phase-field crystal modeling and standard models of binary alloys (ie, regular solution model). To demonstrate the properties of the phase-field crystal formalism a simple model of binary alloy crystallization is derived and shown to simultaneously model solidification …