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

作者：Allnatt A R; Belova I V^*; Murch G E

来源：Philosophical Magazine, 2014, 94(22): 2487-2504.

DOI：10.1080/14786435.2014.916426

• diffusion
• simulation
• theoretical
• anisotropic properties

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.

• 出版日期2014