Homogeneous crystalline nucleation via atomic density fluctuations in the liquid state: Applications

Abstract

Abstract It is demonstrated that homogeneous nucleation may be initiated in atomic density fluctuations within the undercooled liquid. Density fluctuations of appropriate amplitude, corresponding to the change of the atomic density upon crystallization at the nucleation temperature TN, allow fast diffusionless nucleation up to a subcritical-size embryo whose size may be close to that of the classical critical nucleus, depending on the change in the atomic volume upon crystallization at TN. A Monte Carlo simulation, allowing the effect of the increased atomic density of the undercooled liquid on the interfacial energy to be evaluated, supports applications to Al and Ni. It becomes thus possible to quantify the contribution of a presumed diffusionless nucleation path in connection with the liquid atomic density at TN.