A computer simulation study of the lattice dynamics and vacancy migration of BCC Fe and in BCC Zr is presented. The results obtained are in good agreement with experiments. Special attention is paid to the temperature behaviour of the T l 1/2 (110) phonon mode. This mode in Zr is shown to be related to the beta -to- alpha phase transformation as well as to the curvature of the Arrhenius plot. A phonon-enhanced mechanism with a temperature-dependent vacancy migration enthalpy is proposed as an explanation of 'anomalous' self-diffusion in BCC metals.
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Mikhin et al. (1993) studied this question.
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