Diffusion kinetics in dilute binary alloys with the h.c.p. crystal structure

Abstract

In this paper, an extended version of the matrix method is derived in order to address diffusion kinetics for the full anisotropic three-dimensional h.c.p. structure. It is shown that the diffusion anisotropy can be properly addressed with a model of 13 atom-vacancy frequencies which is an extended version of the well-known 5-frequency model for the f.c.c. lattice. Both tracer and phenomenological diffusion coefficients are calculated using this new approach. Extended Monte Carlo simulations are performed in order to cross-check some of the results of the matrix method. Applications of the proposed model to experimental diffusion data are discussed.

Keywords:

• diffusion
• simulation
• theoretical
• anisotropic properties

Acknowledgements

We acknowledge the Australian Research Council (ARC) for its support of this work. One of us (IVB) also gratefully acknowledges the Discovery Outstanding Research Award from the ARC.