Computer simulations of diffusional phase transformations: Monte Carlo algorithm and application to precipitation of ordered phases

摘要

A Monte Carlo(MC) simulation technique which is well suited for studying diffusional phase transformations is presented. This technique accounts for atom transport through vacancy migration, and allows a physically meaningful definition of time. This MC technique is used for studying the precipitation of an L1_2 ordered phase from a supersaturated, disordered f.c.c. matrix. Three alloys have been studied of compositions x_B =0.125, 0.15 and 0.175, with equilibrium volume fraction of the L1_2 phase of 0.23, 0.47 and 0.71, respectively.