2012/12/31 by Yi Wang, Wang, Yi, Huai Yu Hou +7
Engineering · Materials Science · #Atomic and Molecular Clusters (physics.atm-clus) #FOS: Physical sciences #High Temperature Alloys and Creep #Materials Science (cond-mat.mtrl-sci) #Microstructure and Mechanical Properties of Steels #Microstructure and mechanical properties
paper · pdf · doi:10.48550/arxiv.1212.6900
openalex publication_date 2012/12/31 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
The kinetics of coherent Cu rich precipitation in Fe-Cu and Fe-Cu-Ni alloys during thermal ageing have been modeled by Atomic Kinetic Monte Carlo method (AKMC). The AKMC is parameterized by existing ab-inito data to treat vacancy mediated diffusion which is depend on local atomic environment. A nonlinear semi-empirical time adjusting method is proposed to rescaled the MC time. The combining AKMC and time adjusting method give a good agreement with experiments and other simulations, including advancement factor and the Cu cluster mobility. Simulations of ternary alloys reveal Ni has a temporal delay effect on Cu precipitation. This effect is caused by the decreasing of diffusion coefficient of Cu clusters. And the reduction effect of diffusion coefficient weakens with larger Cu cluster size. The simulation results can be used to explain the experimental phenomenon that ternary Fe-Cu-Ni alloys have higher cluster number density than corresponding binary during coarsening stage, which is related to cluster mobility.