Characterizing solute segregation and grain boundary energy in binary alloy phase field crystal models

This paper studies how solute segregation and its relationship to grain boundary energy in binary alloys are captured in the phase field crystal (PFC) formalism, a continuum method that incorporates atomic scale elasto-plastic effects on diffusional time scales. Grain boundaries are simulated using two binary alloy PFC models – the original binary model by Elder et al. [18] and the XPFC model by Greenwood et al. [25]. In both cases, grain …