A phase field crystal model for materials crystallization in the presence of nanoscale pores


The present work focuses on the development of a relatively simple phase field crystal model for materials with nanoscale porous inclusions. We found that the pore's main effect is to act as a nucleation agent, promoting crystallization of material at the pore's interface, followed by micro-structural evolution of the solid in the supercooled liquid. Details of the crystal around the pore are investigated in terms of the pore radius and density of material outside the pore. Moreover, details of the pore-material interface is investigated through the interfacial tension and pressure. Finally, the model is extended to investigate the effect of multiple pores on the kinetics of crystallization.

Publication Title

Modelling and Simulation in Materials Science and Engineering