Perspective on Kinetic Monte Carlo Simulation of evolution of nanostructure during the early stages of aging in Al alloys

摘要

The Kinetic Monte Carlo Method, which based on the Multi-States Ising Model, was applied to simulate evolution of nanostructure during the early stages of aging in some Al alloys in focus, on those many material scientists make their efforts in recent decades. The simulation results shows that: in Al-Cu(-Mg)(-Ag) series alloys, Mg addition maybe play a key thermaldynamical role of changing aging process, which may result in the transformation of Ω phase in Al-Cu(-Mg-Ag) from θ'phase in Al-Cu alloy; in Al-Ag-X serials alloys, microalloying elements may influence the aging by modifying the morphology of vacancies/solute atoms, in this case, the former maybe more important; in Al(-Zn)(-Mg) serials alloys, Zn-Mg co-clusters in large number density have been found in the initial aging stage, though seldom Zn-Clusters or Mg-Clusters were found in Al-Zn or Al-Mg respectively; In Al-Cu-Mg(-Si) serials alloys, Si clusters have been found, which have been considered as maybe the key for a phase forming. All those cases studied by Kinetics Monte Carlo simulation make us further thinking on microalloying mechanism. moreover, the problems in Kinetics Monte Carlo simulation were discussed in detail for further application in material science.