Computer Simulation of Microstructure Evolution of Fe-Cu Alloy during Thermal Ageing

Abstract:

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.

• Periodical: Key Engineering Materials (Volumes 306-308)
• Pages: 917-922
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.306-308.917
• Online since: March 2006
• Authors: Akiyuki Takahashi, Naoki Soneda, Masanori Kikuchi
• Keywords: Fe-Cu Alloy, Kinetic Lattice Monte Carlo, Kinetic Monte Carlo, Thermal Ageing

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