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

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Title	Phase-field crystal modeling and classical density functional theory of freezing
Authors/Editors*	K. R. Elder, Nikolas Provatas, Joel Berry, Peter Stefanovic, and Martin Grant
Where published*	Phys. Rev. B
How published*	Journal
Year*	2007
Volume	75
Number	-1
Pages	064107 (14 pages)
Publisher
Keywords
Link	http://link.aps.org/abstract/PRB/v75/e064107
Abstract	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 (i.e., 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, phase segregation, grain growth, elastic and plastic deformations in anisotropic systems with multiple crystal orientations on diffusive time scales.