Phase-field crystal modeling of early stage clustering and precipitation in metal alloys

A phase-field crystal model is used to investigate the mechanisms of formation and growth of early clusters in quenched/aged dilute binary alloys, a phenomenon typically outside the scope of molecular dynamics time scales. We show that formation of early subcritical clusters is triggered by the stress relaxation effect of quenched-in defects, such as dislocations, on the energy barrier and the critical size for nucleation. In particular, through analysis of system energetics, we demonstrate that the growth of subcritical clusters into overcritical sizes occurs due to the fact that highly strained areas in the lattice locally reduce or even eliminate the free energy barrier for a first-order transition.