Extending cluster dynamics to concentrated and disordered alloys: The linear-chain case

摘要: Cluster dynamics is often used in the multi-scale procedure to link atomistic and macroscopic approaches, particular when modelling precipitation processes. To extend its use concentrated alloys, it necessary take into account accurately exclusion zones their overlap. By investigating one-dimensional case, one obtains an exact formula for these zones, generalization higher dimensions proposed. integrating cluster fragmentation/coagulation processes equations, a perfect agreement between simulations (Kinetic Monte Carlo) reached on whole range of concentrations kinetics which govern microstructure dimension.