A Multi-Component Phase Field Crystal Model for Structural Transformations in Metal Alloys

Abstract

We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure materials [Phys. Rev. Lett. 105, 045702 (2010)]. We introduce an effective twopoint correlation function for multi-component alloys that uses the local species concentrations to interpolate between different crystal structures. A simplified version of the model is derived for the particular case of threecomponent (ternary) alloys, and its equilibrium properties are demonstrated. Dynamical equations of motion for the density and multiple species concentration fields are derived, and the robustness of the model is illustrated with examples of complex microstructure evolution in dendritic solidification and solid-state precipitation.

arXiv comment14 pages, 5 figures

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Cited by in corpus (17)

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• A New Structural Phase Field Crystal Approach for Modelling Graphene
• New density functional approach for solid-liquid-vapor transitions in pure materials
• Grain Boundary Structures and Collective Dynamics of Inversion Domains in Binary Two-Dimensional Materials
• Phase-field crystal model for ordered crystals
• Complex order-parameter phase-field models derived from structural phase-field-crystal models
• Revisiting Phase Diagrams of Two-Mode Phase-Field Crystal Models
• Combining phase field crystal methods with a Cahn-Hilliard model for binary alloys
• Li-diffusion accelerates grain growth in intercalation electrodes: a phase-field study
• Phase field crystal model for heterostructures
• Self-consistent modeling of anisotropic interfaces and missing orientations: Derivation from phase-field crystal
• Atom Based Grain Extraction and Measurement of Geometric Properties
• Atomic ordering and phase separation in lateral heterostructures and multijunctions of ternary two-dimensional hexagonal materials
• Structural phase-field crystal model for Lennard-Jones pair interaction potential
• Characterizing Solute Segregation and Grain Boundary Energy in a Binary Alloy Phase Field Crystal Model