Abstract
The thermodynamic parameters that drive the atomic migration in B2 alloys are studied using Monte-Carlo simulations. The model is based on a vacancy jump mechanism between nearest neighbor sites, with a constant vacancy concentration. The ordering energy is described through an Ising Hamiltonian with interaction potentials between first and second nearest neighbors. Different migration barriers are introduced fur A and B atoms. The results of the simulations compare very well with those of experiments. The ordering kinetics are well described by exponential-like behaviors with two relaxation times whose temperature dependences are Arrhenius laws yielding effective migration energies. The ordering energy contributes significantly to the total migration energy.
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Yaldram, K., Pierron-Bohnes, V., Cadeville, M.C. et al. Monte Carlo simulations of long-range order kinetics in B2 phases. Journal of Materials Research 10, 591–595 (1995). https://doi.org/10.1557/JMR.1995.0591
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DOI: https://doi.org/10.1557/JMR.1995.0591