[SY-N2] Modeling Microstructure Evolution in Rapid Solidification Phenomena Using Structural Phase Field Crystal Models
Invited
This talk will study several closely connected density functional type theories that employ both short and long range, rotationally invariant, multi-point particle interactions. Collectively, these models give rise to a class of structural phase field crystal (XPFC) models. These XPFC models allow for numerous microstructural phenomena to be studied that couple important physics emergent at the atomic scale with phase transformation kinetics occurring on diffusional time scales. Results from recent solidification studies conducted using XPFC modelling in pure materials and alloys will be presented and compared to experiments and other theory. These include multi-step nucleation in solidification, void formation in nano-confined liquid pools during rapid cooling, solute drag, and dislocation-assisted nucleation in solid-state precipitation in alloys. Coupling of the base phase field theory with heat transfer will also be demonstrated for the study of latent heat effects in solidification. We close by discussing coarse graining methods for deriving practical phase field theories from phase field crystal models for meso-scale modelling applications.