Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1624044 | Journal of Alloys and Compounds | 2008 | 6 Pages |
Abstract
The disorder–order transformation of three-dimensional Ni–Al–X (X = Ti, Cr, Co) ternary alloys is simulated on the atomic scale by a cellular automata (CA) method. The interaction of atom pairs and the total energy of the system are calculated using Lennard–Jones potential. The variables to be optimized in yielding a minimized energy were found to include the atomic positions, the (long- and short-range) ordering parameters, the volume fraction of the γ′ (L12) phase, and the configuration energy dependence on the number of CA steps. The results are consistent with the ordering kinetics and the atomic arrangement found by a cluster variation method (CVM).
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Yizhu He, Hongyan Liu, Keesam Shin, Chan Gyu Lee,