Speaker
Description
In this talk we first introduce a new extension to the structural phase field crystal (XPFC) approach that employs rotationally invariant multi-point correlation functions which allow for a progression of complex materials phenomena to be simulated, ranging from pressure-induced phase transitions between vapor-liquid-solid phases to polycrystalline solidification and grain growth in both metallic and complex non-metallic solids. New results from two recent studies made using the XPFC modelling will be presented. The first examines defect-assisted nucleation of precipitate solute clusters in ternary alloys (Al-Mg-Si). The second study uses a new XPFC model to examine the role of pressure and on growth rates and defect structures in graphene.
