Edinburgh Research Explorer

Strongly non-Arrhenius self-interstitial diffusion in vanadium

Research output: Contribution to journalArticle

Related Edinburgh Organisations

Original languageEnglish
Article number060102
Pages (from-to)-
Number of pages4
JournalPhysical Review B: Condensed Matter and Materials Physics
Volume70
Issue number6
DOIs
Publication statusPublished - Aug 2004

Abstract

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.

    Research areas

  • COMPUTER-SIMULATION, MOLECULAR-DYNAMICS, DEFECT PRODUCTION, ATOM CLUSTERS, METALS, MIGRATION, BCC, DAMAGE, DISPLACEMENT, MOBILITY

ID: 1278751