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Monte Carlo simulations of long-range order kinetics in B2 phases

Published online by Cambridge University Press:  03 March 2011

K. Yaldram ,
V. Pierron-Bohnes ,
M.C. Cadeville  and
M.A. Khan
K. Yaldram*
Affiliation:
IPCMS-GEMME, 23, rue du Loess, 67037 Strasbourg, Cedex, France
V. Pierron-Bohnes
Affiliation:
IPCMS-GEMME, 23, rue du Loess, 67037 Strasbourg, Cedex, France
M.C. Cadeville
Affiliation:
IPCMS-GEMME, 23, rue du Loess, 67037 Strasbourg, Cedex, France
M.A. Khan
Affiliation:
IPCMS-GEMME, 23, rue du Loess, 67037 Strasbourg, Cedex, France
*
a)Permanent address: Nuclear Physics Division, Pakistan Institute of Nuclear Science and Technology, Post-Office Nilore, Islamabad, Pakistan.
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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.

Type
Articles
Information
Journal of Materials Research , Volume 10 , Issue 3 , March 1995 , pp. 591 - 595
Copyright
Copyright © Materials Research Society 1995

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References

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