Abstract
Monte Carlo (MC) simulation is a valuable tool for studying diffusion processes and ordering in multicomponent alloys on atomic level. In comparison with other computational methods based on phenomenological or statistical thermodynamics, it offers a possibility of direct visualisation of local atomic arrangements. On the other hand, the quantitative analysis of simulated microstructures is not straightforward. An improved method of quantitative analysis of simulated structures of multicomponent Ni-base alloys with face centred cubic (fcc) lattice is proposed. It makes use of the substitutional behaviour of alloying elements deduced from the short range order parameters, accounts for phase boundaries between ordered and disordered phase and checks for the elemental mass balance.
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