We study diffusion of self-interstitial atoms (SIAs) in vanadium via molecular-dynamics simulations. The <111>-split interstitials are observed to diffuse one-dimensionally at low temperature, but rotate into other <111> directions as the temperature is increased. The SIA diffusion is highly non-Arrhenius. At T<600 K, this behavior arises from temperature-dependent correlations. At T>600 K, the Arrhenius expression for thermally activated diffusion breaks down when the migration barriers become small compared to the thermal energy. This leads to Arrhenius diffusion kinetics at low T and diffusivity proportional to temperature at high T.
|Number of pages||4|
|Journal||Physical review B: Condensed matter and materials physics|
|Publication status||Published - Aug 2004|
- DEFECT PRODUCTION
- ATOM CLUSTERS