Abstract / Description of output
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.
Original language | English |
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Article number | 060102 |
Pages (from-to) | - |
Number of pages | 4 |
Journal | Physical review B |
Volume | 70 |
Issue number | 6 |
DOIs | |
Publication status | Published - Aug 2004 |
Keywords / Materials (for Non-textual outputs)
- COMPUTER-SIMULATION
- MOLECULAR-DYNAMICS
- DEFECT PRODUCTION
- ATOM CLUSTERS
- METALS
- MIGRATION
- BCC
- DAMAGE
- DISPLACEMENT
- MOBILITY