Computer Simulation of Microstructure Evolution of Fe-Cu Alloy during Thermal Ageing
This paper describes a computer simulation of thermal ageing process in Fe-Cu alloy. In order to perform accurate numerical simulation, firstly, we make numerical models of the diffusion and dissociation of Cu and Cu-vacancy clusters. This modeling was performed with kinetic lattice Monte Carlo method, which allows us to perform long-time simulation of vacancy diffusion in Fe-Cu dilute alloy. The model is input to the kinetic Monte Carlo method, and then, we performed the kinetic Monte Carlo simulation of the thermal ageing in the Fe-Cu alloy. The results of the KMC simulations tell us that the our new models describes well the rate and kinetics of the diffusion and dissociation of Cu and Cu-vacancy clusters, and works well in the kinetic Monte Carlo simulations. Finally, we discussed the further application of these numerical models.
Ichsan Setya Putra and Djoko Suharto
A. Takahashi et al., "Computer Simulation of Microstructure Evolution of Fe-Cu Alloy during Thermal Ageing", Key Engineering Materials, Vols. 306-308, pp. 917-922, 2006