Monte Carlo studies of vacancy migration in binary ordered alloys: I

Using a Monte Carlo technique, a simulation study is made of vacancy migration in the binary ordered alloys AB (simple cubic) and B 3 A (face-centred cubic). The resulting self-diffusion is calculated and in the first case compares very favourably with the existing experimental results of Kuper et al. for a body-centred binary alloy. Quite different results are predicted for an alloy of form B 3 A and it is hoped that comparison with experiment will establish the importance of the isolated-vacancy mechanism as the means for producing self-diffusion.